A0A087YN11_POEFO Loading...

Pyruvate dehydrogenase E1 component subunit alpha

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle.

AlphaFold DB , UniProt , Accession A0A087YN11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 390 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	39.9	Very low	31.2	Very low	234 Å²	234	145.3 Å²	145.3	100%	1.153	79%	0.785	S	S	*	*				0	79.4	0	-72.6	176.8	-172.9	0	0	106.7
2	L	28.3	Very low	31.2	Very low	154 Å²	154	144.3 Å²	144.3	81%	0.806	80%	0.795	S	S	*	*				59.7	94.2	91.9	-77.5	166.8	0	0	0	110.8
3	T	33.5	Very low	31.3	Very low	105 Å²	105	140.3 Å²	140.3	64%	0.644	79%	0.793	S	S	*	*				80.4	138	101.7	43.4	0	0	0	0	112.4
4	N	32.9	Very low	31.4	Very low	125 Å²	125	143.6 Å²	143.6	67%	0.668	80%	0.798	S	S	*	*			cis	178.5	156.2	26	-117.9	-16.5	0	0	0	111.2
5	I	32.8	Very low	31.6	Very low	146 Å²	146	150.2 Å²	150.2	75%	0.749	81%	0.806	S	S	*	*			trans	71.6	145.4	138.9	-61.3	163.6	0	0	0	118.7
6	S	32.6	Very low	31.7	Very low	84 Å²	84	150.4 Å²	150.4	59%	0.587	81%	0.807	S	S	*	*			cis	-177.6	147.9	-31.2	77.7	0	0	0	0	106.7
7	N	30	Very low	31.8	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	81%	0.807	S	S	*	*			trans	46.6	119.9	143.4	-59.8	-23.2	0	0	0	121
8	V	28.8	Very low	32.1	Very low	151 Å²	151	143.2 Å²	143.2	92%	0.915	81%	0.805	S	S	*	*				-144.4	133.9	114.8	179.8	0	0	0	0	109.9
9	L	29.3	Very low	32.3	Very low	135 Å²	135	140.1 Å²	140.1	71%	0.707	80%	0.799	S	S	*	*			trans	-87	160.8	-175.6	-102.1	155	0	0	0	113.2
10	R	27.7	Very low	32.6	Very low	228 Å²	228	137.4 Å²	137.4	86%	0.86	80%	0.795	S	S	*	*			trans	80.7	115.8	151.2	-71.6	163.6	-175.8	-170.5	1.5	118.5
11	A	27	Very low	32.9	Very low	98 Å²	98	137 Å²	137	81%	0.81	79%	0.794	S	S	*	*				-174.2	144.5	96.1	0	0	0	0	0	112.4
12	C	31.9	Very low	32.9	Very low	133 Å²	133	131.9 Å²	131.9	90%	0.899	78%	0.776	S	S	*	*			trans	-15.4	133.1	166.1	-75.7	0	0	0	0	118.8
13	A	32.2	Very low	33.7	Very low	93 Å²	93	128.5 Å²	128.5	77%	0.769	77%	0.765	S	S	*	*			trans	-148.2	103.1	135.3	0	0	0	0	0	109.4	R15	A13-R15 PolarHBondContact O-N 2.68Å; A13-R15 VanDerWaalsContact O-N 3.12Å
14	Q	32.4	Very low	34.5	Very low	186 Å²	186	127.3 Å²	127.3	87%	0.869	77%	0.766	S	S	*	*			trans	-52	112.7	159	-78.1	165.4	-54.4	0	0	108	N16	Q14-N16 PolarHBondContact O-N 3.26Å
15	R	35	Very low	35.5	Very low	243 Å²	243	128.1 Å²	128.1	92%	0.917	76%	0.76	S	S	*	*			trans	-83.1	106.8	164	-92.1	-176	171.8	-178.4	-2	107.7	A13 G17	A13-R15 PolarHBondContact O-N 2.68Å; A13-R15 VanDerWaalsContact O-N 3.12Å; R15-G17 PolarHBondContact O-N 2.6Å; R15-G17 VanDerWaalsContact O-N 3.14Å
16	N	33.2	Very low	36.6	Very low	153 Å²	153	125.2 Å²	125.2	82%	0.818	75%	0.749	S	S	*	*			trans	-44.7	114.6	166.2	-75.6	-24.1	0	0	0	110.1	Q14 A18	Q14-N16 PolarHBondContact O-N 3.26Å; N16-A18 PolarHBondContact O-N 3.32Å
17	G	33.5	Very low	37.6	Very low	79 Å²	79	130.3 Å²	130.3	81%	0.814	76%	0.756	S	S	*	*			trans	-67.8	85.9	159	0	0	0	0	0	108.2	R15 A19	R15-G17 PolarHBondContact O-N 2.6Å; R15-G17 VanDerWaalsContact O-N 3.14Å; G17-A19 PolarHBondContact O-N 3.2Å
18	A	36.6	Very low	39.1	Very low	92 Å²	92	128.1 Å²	128.1	76%	0.76	75%	0.752	S	S	*	*			trans	-70.2	89.8	159.4	0	0	0	0	0	106.2	N16 A20	N16-A18 PolarHBondContact O-N 3.32Å; A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3Å
19	A	36.7	Very low	41.7	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	73%	0.727	S	S	*	*			trans	-58.1	103.1	160.3	0	0	0	0	0	106	G17 V21	G17-A19 PolarHBondContact O-N 3.2Å; A19-V21 VanDerWaalsContact C-N 3.26Å; A19-V21 PolarHBondContact O-N 3.48Å
20	A	38.3	Very low	44.8	Very low	86 Å²	86	119.2 Å²	119.2	71%	0.711	70%	0.699	S	S	*	*			trans	-61.3	100.1	164.3	0	0	0	0	0	105.5	A18 V22	A18-A20 VanDerWaalsContact C-N 3.3Å; A18-A20 PolarHBondContact O-N 3Å; A20-V22 PolarHBondContact O-N 2.93Å
21	V	37.3	Very low	48.1	Very low	129 Å²	129	110.8 Å²	110.8	78%	0.782	67%	0.673	S	S	*	*			trans	-67.4	87.2	166.5	-177.9	0	0	0	0	104.9	A19 S23	A19-V21 VanDerWaalsContact C-N 3.26Å; A19-V21 PolarHBondContact O-N 3.48Å; V21-S23 PolarHBondContact O-N 3.27Å
22	V	41.6	Very low	51.4	Low	126 Å²	126	111.2 Å²	111.2	76%	0.764	67%	0.665	S	S	*	*			trans	-68.2	89.9	160.9	-175.7	0	0	0	0	104	A20 A24	A20-V22 PolarHBondContact O-N 2.93Å; V22-A24 PolarHBondContact O-N 3.37Å
23	S	45.1	Very low	54.5	Low	84 Å²	84	110.6 Å²	110.6	59%	0.587	65%	0.649	S	S	*	*			trans	-59.2	97	162.8	157.3	0	0	0	0	105.3	V21 R25	V21-S23 PolarHBondContact O-N 3.27Å; S23-R25 PolarHBondContact O-N 2.94Å
24	A	50.3	Low	57.7	Low	80 Å²	80	106.6 Å²	106.6	66%	0.661	62%	0.617	S	S	*	*			trans	-64.7	95.3	164.2	0	0	0	0	0	105.2	V22 T26	V22-A24 PolarHBondContact O-N 3.37Å; A24-T26 PolarHBondContact O-N 2.84Å
25	R	52.6	Low	60.8	Low	142 Å²	142	101.3 Å²	101.3	54%	0.536	60%	0.597	S	S	.	*			trans	-57.3	114.8	171.1	-71.2	-173.5	178.6	-160.5	-0.8	106.7	S23 N328	S23-R25 PolarHBondContact O-N 2.94Å; R25-N328 PolarHBondContact NH1-OD1 2.81Å
26	T	56.6	Low	63.8	Low	84 Å²	84	90.3 Å²	90.3	52%	0.515	56%	0.556	S	S	.	*			trans	-74.6	155.9	174.8	32.6	0	0	0	0	108.8	A24 S28 D29	A24-T26 PolarHBondContact O-N 2.84Å; T26-S28 WeakPolarHBondContact CB-OG 3.21Å; T26-S28 PolarHBondContact O-N 3.45Å; T26-S28 PolarHBondContact OG1-OG 2.92Å; T26-D29 PolarHBondContact N-OD2 3.32Å; T26-D29 WeakPolarHBondContact O-CB 3.15Å; T26-D29 PolarHBondContact O-N 3.06Å
27	Y	54.1	Low	66.9	Low	191 Å²	191	88.7 Å²	88.7	75%	0.749	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-50.1	-18.8	175.6	-95	-93.6	0	0	0	113.8	D29	Y27-D29 PolarHBondContact O-N 3.33Å
28	S	59.9	Low	70	Confident	92 Å²	92	85.7 Å²	85.7	64%	0.643	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-64.9	-14.6	173.7	56.2	0	0	0	0	115.6	T26	T26-S28 WeakPolarHBondContact CB-OG 3.21Å; T26-S28 PolarHBondContact O-N 3.45Å; T26-S28 PolarHBondContact OG1-OG 2.92Å
29	D	84.5	Confident	72.9	Confident	73 Å²	73	87 Å²	87	39%	0.39	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-103	-1.3	-165.5	-58	-13.2	0	0	0	113.7	T26 Y27 N328	T26-D29 PolarHBondContact N-OD2 3.32Å; T26-D29 WeakPolarHBondContact O-CB 3.15Å; T26-D29 PolarHBondContact O-N 3.06Å; Y27-D29 PolarHBondContact O-N 3.33Å; D29-N328 PolarHBondContact O-ND2 2.99Å
30	F	95	Very high	75.9	Confident	27 Å²	27	90 Å²	90	12%	0.118	49%	0.494	C	S	.	.	S	Bend	trans	-96	142.6	178.9	-66.7	-65.5	0	0	0	112.3	T32 N328	F30-T32 PolarHBondContact O-N 2.74Å; F30-N328 CarbonylContact C-O 3.47Å; F30-N328 WeakPolarHBondContact CA-O 3.31Å; F30-N328 WeakPolarHBondContact CD1-O 2.94Å
31	T	95.8	Very high	78.7	Confident	51 Å²	51	86.4 Å²	86.4	31%	0.313	46%	0.463	S	S	.	.			trans	-64.3	118.3	170.9	-57.7	0	0	0	0	109.5	Q33 A34 N327 N328 M329	T31-Q33 WeakPolarHBondContact CG2-O 3.41Å; T31-A34 HydrophobicContact CG2-CB 4.3Å; T31-N327 VanDerWaalsContact CB-O 3.28Å; T31-N327 WeakPolarHBondContact CB-O 3.38Å; T31-N327 PolarHBondContact OG1-O 3.47Å; T31-N328 PolarHBondContact N-O 3.49Å; T31-M329 HydrophobicContact CG2-CG 4.38Å
32	T	96.9	Very high	81.6	Confident	107 Å²	107	84 Å²	84	66%	0.656	45%	0.446	S	S	*	.	S	Bend	trans	-74.9	-28.5	-176.1	54.5	0	0	0	0	113.6	F30 T57 R58	F30-T32 PolarHBondContact O-N 2.74Å; T32-T57 CarbonylContact O-C 3.51Å; T32-T57 WeakPolarHBondContact O-CA 3.49Å; T32-R58 WeakPolarHBondContact O-CB 3.45Å; T32-R58 PolarHBondContact O-N 3.22Å
33	Q	97.3	Very high	84.3	Confident	119 Å²	119	80.7 Å²	80.7	56%	0.556	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.1	144	173.6	65.3	-179.3	17	0	0	109.9	T31 V55 M56 T57	T31-Q33 WeakPolarHBondContact CG2-O 3.41Å; Q33-V55 HydrophobicContact CB-CG1 4.01Å; Q33-V55 HydrophobicContact CG-CG1 4.43Å; Q33-M56 WeakPolarHBondContact CA-O 3.41Å; Q33-T57 HydrophobicContact CB-CG2 4.39Å
34	A	98	Very high	86.9	Confident	10 Å²	10	78.9 Å²	78.9	8%	0.083	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.2	175.9	0	0	0	0	0	110.5	T31 F36 V55 M56 N327 M329	T31-A34 HydrophobicContact CG2-CB 4.3Å; A34-F36 HydrophobicContact CB-CE2 3.69Å; A34-F36 HydrophobicContact CB-CZ 3.78Å; A34-F36 WeakPolarHBondContact O-CD2 3.47Å; A34-F36 WeakPolarHBondContact O-CE2 3.37Å; A34-V55 WeakPolarHBondContact O-CA 3.35Å; A34-M56 PolarHBondContact N-O 2.93Å; A34-M56 PolarHBondContact O-N 3.02Å; A34-N327 HydrophobicContact CB-CB 3.99Å; A34-M329 HydrophobicContact CB-CE 4.26Å; A34-M329 HydrophobicContact CB-CG 4.34Å; A34-M329 HydrophobicContact CB-SD 3.64Å
35	T	98.4	Very high	89.2	Confident	75 Å²	75	81.9 Å²	81.9	46%	0.46	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	134.2	177.8	-59.8	0	0	0	0	109.3	Q53 V54	T35-Q53 HydrophobicContact CG2-CG 3.19Å; T35-V54 CarbonylContact C-O 3.6Å; T35-V54 WeakPolarHBondContact CA-O 3.43Å
36	F	98.2	Very high	91.3	Very high	12 Å²	12	76.5 Å²	76.5	5%	0.053	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	-176.7	-61.7	-87.1	0	0	0	110.3	A34 Q53 V54 M56 L260 R323 N327 M329	A34-F36 HydrophobicContact CB-CE2 3.69Å; A34-F36 HydrophobicContact CB-CZ 3.78Å; A34-F36 WeakPolarHBondContact O-CD2 3.47Å; A34-F36 WeakPolarHBondContact O-CE2 3.37Å; F36-Q53 WeakPolarHBondContact O-CA 3.38Å; F36-V54 HydrophobicContact CB-CG2 4.48Å; F36-V54 PolarHBondContact N-O 2.92Å; F36-V54 PolarHBondContact O-N 3.39Å; F36-M56 HydrophobicContact CD2-CB 4.09Å; F36-M56 HydrophobicContact CE2-CB 3.86Å; F36-M56 HydrophobicContact CE2-CE 3.8Å; F36-M56 HydrophobicContact CZ-CE 3.89Å; F36-L260 HydrophobicContact CB-CD1 3.88Å; F36-L260 HydrophobicContact CD2-CD1 3.82Å; F36-L260 HydrophobicContact CG-CD1 3.84Å; F36-R323 HydrophobicContact CD1-CB 4.24Å; F36-R323 HydrophobicContact CD1-CG 3.88Å; F36-R323 HydrophobicContact CE1-CB 3.57Å; F36-R323 HydrophobicContact CE1-CG 3.71Å; F36-R323 HydrophobicContact CZ-CB 4.2Å; F36-N327 VanDerWaalsContact CE1-ND2 3.32Å; F36-N327 WeakPolarHBondContact CE1-ND2 3.29Å; F36-N327 HydrophobicContact CZ-CB 4.35Å; F36-M329 HydrophobicContact CE2-SD 4.07Å; F36-M329 HydrophobicContact CZ-SD 3.72Å
37	E	98.3	Very high	93.1	Very high	118 Å²	118	81 Å²	81	55%	0.551	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.8	164.3	-64.3	-61.4	141.7	0	0	109.2	T52 Q53	E37-T52 CarbonylContact C-O 3.5Å; E37-T52 WeakPolarHBondContact CA-O 3.34Å; E37-Q53 WeakPolarHBondContact OE1-CG 3.08Å; E37-Q53 PolarHBondContact OE1-NE2 3.14Å
38	I	98.4	Very high	95	Very high	16 Å²	16	78.8 Å²	78.8	8%	0.082	41%	0.405	C	S	.	.			trans	-122.6	156.2	178.2	60	163.8	0	0	0	110.5	K40 A51 T52 V54 L260 E264	I38-K40 PolarHBondContact O-N 3.45Å; I38-A51 WeakPolarHBondContact CD1-O 3.28Å; I38-T52 WeakPolarHBondContact CG1-O 3.35Å; I38-T52 PolarHBondContact N-O 3.42Å; I38-V54 HydrophobicContact CD1-CG1 3.75Å; I38-V54 HydrophobicContact CD1-CG2 4.15Å; I38-V54 HydrophobicContact CG1-CG1 4.12Å; I38-V54 HydrophobicContact CG1-CG2 4.27Å; I38-V54 HydrophobicContact CG2-CG2 3.8Å; I38-L260 HydrophobicContact CG2-CB 3.73Å; I38-E264 HydrophobicContact CD1-CB 3.84Å; I38-E264 HydrophobicContact CD1-CG 4.05Å
39	K	98.2	Very high	96.6	Very high	119 Å²	119	76 Å²	76	52%	0.517	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.2	129.4	-176.1	-170.6	-177.1	179.2	-174.1	0	110.2	C41 D255 C261	K39-C41 PolarHBondContact O-N 3.35Å; K39-D255 HydrophobicContact CD-CB 4.16Å; K39-C261 PolarHBondContact N-SG 3.49Å
40	K	98.2	Very high	97.2	Very high	150 Å²	150	73 Å²	73	65%	0.652	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-60.1	132.3	172.4	-173.6	177.5	179.1	178.5	0	110.2	I38 T52	I38-K40 PolarHBondContact O-N 3.45Å; K40-T52 HydrophobicContact CB-CG2 3.87Å; K40-T52 HydrophobicContact CG-CG2 4.18Å
41	C	98.4	Very high	97.2	Very high	9 Å²	9	74.6 Å²	74.6	6%	0.061	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-73.7	140.3	174.8	-63.5	0	0	0	0	110.9	K39 L252 R253	K39-C41 PolarHBondContact O-N 3.35Å; C41-L252 HydrophobicContact CB-CB 4.33Å; C41-L252 HydrophobicContact CB-CD1 4.45Å; C41-R253 VanDerWaalsContact CA-O 3.28Å; C41-R253 WeakPolarHBondContact CA-O 3.27Å; C41-R253 WeakPolarHBondContact CB-O 3.24Å
42	D	98.3	Very high	97.3	Very high	78 Å²	78	74.9 Å²	74.9	42%	0.417	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	133.5	161.7	-59.9	-50	0	0	0	107.8	F243 L252 R253	D42-F243 HydrophobicContact CB-CE2 4.25Å; D42-F243 HydrophobicContact CB-CZ 3.96Å; D42-L252 CarbonylContact O-C 3.59Å; D42-L252 VanDerWaalsContact O-CA 3.23Å; D42-L252 WeakPolarHBondContact O-CA 3.5Å; D42-R253 HydrophobicContact CB-CB 4.18Å; D42-R253 PolarHBondContact N-O 3.44Å; D42-R253 PolarHBondContact O-N 2.92Å; D42-R253 IonicContact OD2-CZ 3.31Å; D42-R253 VanDerWaalsContact OD2-CZ 3.31Å; D42-R253 IonicContact OD2-NE 3.07Å; D42-R253 PolarHBondContact OD2-NE 3.41Å; D42-R253 VanDerWaalsContact OD2-NE 3.07Å; D42-R253 IonicContact OD2-NH2 2.83Å; D42-R253 PolarHBondContact OD2-NH2 3.2Å
43	V	98.5	Very high	97.4	Very high	57 Å²	57	75.4 Å²	75.4	35%	0.345	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.7	-176.6	-63.4	0	0	0	0	112	L46 A49 G251 L252	V43-L46 HydrophobicContact CB-CB 4.17Å; V43-L46 HydrophobicContact CB-CD1 4.19Å; V43-L46 HydrophobicContact CG1-CD1 4.14Å; V43-A49 HydrophobicContact CG1-CB 3.67Å; V43-G251 CarbonylContact C-O 3.1Å; V43-L252 HydrophobicContact CG1-CB 4.28Å
44	F	98.7	Very high	97.4	Very high	47 Å²	47	70 Å²	70	21%	0.206	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.1	177.7	176.1	-109.2	0	0	0	109.5	L46 F243 K244 E247 P250 G251	F44-L46 PolarHBondContact O-N 3.49Å; F44-F243 HydrophobicContact CB-CD2 3.84Å; F44-F243 HydrophobicContact CB-CE2 3.74Å; F44-K244 HydrophobicContact CB-CG 3.99Å; F44-K244 HydrophobicContact CD1-CB 4.36Å; F44-K244 HydrophobicContact CD1-CG 4.3Å; F44-K244 HydrophobicContact CD2-CB 4.43Å; F44-K244 HydrophobicContact CD2-CD 4.08Å; F44-K244 HydrophobicContact CD2-CG 3.85Å; F44-K244 HydrophobicContact CE1-CB 4.47Å; F44-K244 HydrophobicContact CE2-CD 4.47Å; F44-K244 HydrophobicContact CE2-CG 4.39Å; F44-K244 HydrophobicContact CG-CB 4.32Å; F44-K244 HydrophobicContact CG-CG 3.8Å; F44-E247 WeakPolarHBondContact CE1-O 3.45Å; F44-E247 VanDerWaalsContact CZ-O 3.31Å; F44-E247 WeakPolarHBondContact CZ-O 3.38Å; F44-P250 WeakPolarHBondContact O-CA 3.16Å; F44-G251 PolarHBondContact N-O 3.13Å; F44-G251 PolarHBondContact O-N 2.89Å
45	K	98.4	Very high	97.4	Very high	142 Å²	142	72.9 Å²	72.9	62%	0.617	38%	0.378	S	S	*	.	S	Bend	trans	53.6	36.3	-177.5	-63.1	179.4	172.4	-73.7	0	113.8	E247 P250	K45-E247 WeakPolarHBondContact CD-O 3.49Å; K45-E247 WeakPolarHBondContact CE-O 3.43Å; K45-P250 HydrophobicContact CB-CB 4.44Å
46	L	97.6	Very high	97.4	Very high	29 Å²	29	69.3 Å²	69.3	15%	0.152	36%	0.356	C	S	.	.			trans	-124	136.4	172	-68.4	166.4	0	0	0	109	V43 F44 E48 P250 L252 F268 I280	V43-L46 HydrophobicContact CB-CB 4.17Å; V43-L46 HydrophobicContact CB-CD1 4.19Å; V43-L46 HydrophobicContact CG1-CD1 4.14Å; F44-L46 PolarHBondContact O-N 3.49Å; L46-E48 WeakPolarHBondContact CB-O 3.34Å; L46-P250 HydrophobicContact CD2-CB 3.65Å; L46-P250 HydrophobicContact CD2-CG 4.39Å; L46-P250 HydrophobicContact CG-CB 3.84Å; L46-L252 HydrophobicContact CD1-CB 4.4Å; L46-L252 HydrophobicContact CD1-CD2 4.15Å; L46-F268 HydrophobicContact CD1-CE1 4.01Å; L46-F268 HydrophobicContact CD1-CZ 4.45Å; L46-F268 HydrophobicContact CD2-CE1 4.31Å; L46-F268 HydrophobicContact CD2-CZ 4.39Å; L46-I280 HydrophobicContact CD1-CD1 4.33Å; L46-I280 HydrophobicContact CD2-CD1 4.32Å
47	D	93.3	Very high	97.4	Very high	178 Å²	178	70.9 Å²	70.9	95%	0.952	37%	0.367	S	S	*	.	S	Bend	trans	-77.7	-27.6	175.9	-58.8	-41.6	0	0	0	111.8
48	E	93.9	Very high	97.4	Very high	146 Å²	146	66.2 Å²	66.2	68%	0.682	35%	0.345	S	S	*	.			trans	-126	154.1	-179	-65.3	179	-177.6	0	0	110.8	L46 F268	L46-E48 WeakPolarHBondContact CB-O 3.34Å; E48-F268 WeakPolarHBondContact O-CZ 3.4Å
49	A	95	Very high	97.4	Very high	32 Å²	32	71 Å²	71	26%	0.264	37%	0.371	S	S	.	.			trans	-115.9	161.4	174.5	0	0	0	0	0	109.7	V43	V43-A49 HydrophobicContact CG1-CB 3.67Å
50	P	96.8	Very high	97.4	Very high	11 Å²	11	68.1 Å²	68.1	7%	0.071	36%	0.359	C	S	.	.			trans	-52.8	148.8	170	-23.9	33.1	0	0	0	112	L252 A265 F268	P50-L252 HydrophobicContact CG-CD1 3.77Å; P50-A265 HydrophobicContact CG-CB 4.34Å; P50-F268 HydrophobicContact CB-CB 4.25Å; P50-F268 HydrophobicContact CG-CB 3.91Å; P50-F268 HydrophobicContact CG-CD1 4.12Å; P50-F268 HydrophobicContact CG-CD2 4.4Å; P50-F268 HydrophobicContact CG-CG 3.89Å
51	A	95.5	Very high	97.5	Very high	61 Å²	61	61 Å²	61	50%	0.504	33%	0.328	S	S	.	.			trans	-58	142.4	178.2	0	0	0	0	0	111.2	I38 V54	I38-A51 WeakPolarHBondContact CD1-O 3.28Å; A51-V54 HydrophobicContact CB-CG1 4.4Å
52	T	97.2	Very high	97.5	Very high	57 Å²	57	61.6 Å²	61.6	35%	0.35	33%	0.33	S	S	.	.	S	Bend	trans	-92.3	-12.5	177.4	57.5	0	0	0	0	113.2	E37 I38 K40	E37-T52 CarbonylContact C-O 3.5Å; E37-T52 WeakPolarHBondContact CA-O 3.34Å; I38-T52 WeakPolarHBondContact CG1-O 3.35Å; I38-T52 PolarHBondContact N-O 3.42Å; K40-T52 HydrophobicContact CB-CG2 3.87Å; K40-T52 HydrophobicContact CG-CG2 4.18Å
53	Q	97.9	Very high	97.5	Very high	118 Å²	118	62.9 Å²	62.9	55%	0.551	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.8	178.9	-177.3	173.5	73.5	0	0	109.2	T35 F36 E37	T35-Q53 HydrophobicContact CG2-CG 3.19Å; F36-Q53 WeakPolarHBondContact O-CA 3.38Å; E37-Q53 WeakPolarHBondContact OE1-CG 3.08Å; E37-Q53 PolarHBondContact OE1-NE2 3.14Å
54	V	97.8	Very high	97.5	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146	-166.9	-54.9	0	0	0	0	111.5	T35 F36 I38 A51 L260 E264	T35-V54 CarbonylContact C-O 3.6Å; T35-V54 WeakPolarHBondContact CA-O 3.43Å; F36-V54 HydrophobicContact CB-CG2 4.48Å; F36-V54 PolarHBondContact N-O 2.92Å; F36-V54 PolarHBondContact O-N 3.39Å; I38-V54 HydrophobicContact CD1-CG1 3.75Å; I38-V54 HydrophobicContact CD1-CG2 4.15Å; I38-V54 HydrophobicContact CG1-CG1 4.12Å; I38-V54 HydrophobicContact CG1-CG2 4.27Å; I38-V54 HydrophobicContact CG2-CG2 3.8Å; A51-V54 HydrophobicContact CB-CG1 4.4Å; V54-L260 HydrophobicContact CG2-CB 4.25Å; V54-L260 HydrophobicContact CG2-CD1 4.25Å; V54-E264 HydrophobicContact CB-CG 4.01Å; V54-E264 HydrophobicContact CG1-CB 4.32Å; V54-E264 HydrophobicContact CG1-CG 3.64Å; V54-E264 HydrophobicContact CG2-CG 4.25Å
55	V	98.4	Very high	97.5	Very high	69 Å²	69	59.1 Å²	59.1	42%	0.418	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.5	-179.7	-179.9	0	0	0	0	109.2	Q33 A34 R263	Q33-V55 HydrophobicContact CB-CG1 4.01Å; Q33-V55 HydrophobicContact CG-CG1 4.43Å; A34-V55 WeakPolarHBondContact O-CA 3.35Å; V55-R263 PolarHBondContact O-NH2 3.47Å
56	M	98.4	Very high	97.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.6	168.4	-179.3	-175.5	68.7	0	0	108.2	Q33 A34 F36 E60 Y64 L260 L320 L324 M329	Q33-M56 WeakPolarHBondContact CA-O 3.41Å; A34-M56 PolarHBondContact N-O 2.93Å; A34-M56 PolarHBondContact O-N 3.02Å; F36-M56 HydrophobicContact CD2-CB 4.09Å; F36-M56 HydrophobicContact CE2-CB 3.86Å; F36-M56 HydrophobicContact CE2-CE 3.8Å; F36-M56 HydrophobicContact CZ-CE 3.89Å; M56-E60 HydrophobicContact CG-CB 4.16Å; M56-Y64 HydrophobicContact CG-CE2 4.47Å; M56-Y64 HydrophobicContact SD-CD2 4.22Å; M56-Y64 HydrophobicContact SD-CE2 4.4Å; M56-L260 HydrophobicContact CB-CD1 4.37Å; M56-L260 HydrophobicContact CB-CD2 4.2Å; M56-L260 HydrophobicContact CG-CD2 4.26Å; M56-L260 HydrophobicContact SD-CD1 4.43Å; M56-L260 HydrophobicContact SD-CD2 3.86Å; M56-L320 HydrophobicContact CE-CD1 3.96Å; M56-L320 HydrophobicContact SD-CD1 3.83Å; M56-L324 HydrophobicContact CE-CD2 3.81Å; M56-L324 HydrophobicContact CE-CG 4.47Å; M56-M329 HydrophobicContact CE-CE 4.23Å; M56-M329 HydrophobicContact CE-SD 3.99Å; M56-M329 WeakPolarHBondContact O-CE 3.5Å
57	T	98.6	Very high	97.6	Very high	46 Å²	46	55.7 Å²	55.7	28%	0.282	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	158.1	171.5	71.9	0	0	0	0	110.3	T32 Q33 D59 E60 G61	T32-T57 CarbonylContact O-C 3.51Å; T32-T57 WeakPolarHBondContact O-CA 3.49Å; Q33-T57 HydrophobicContact CB-CG2 4.39Å; T57-D59 VanDerWaalsContact C-N 3.29Å; T57-D59 PolarHBondContact O-N 2.97Å; T57-E60 PolarHBondContact N-OE2 2.78Å; T57-E60 PolarHBondContact O-N 3.11Å; T57-E60 WeakPolarHBondContact OG1-CB 3.38Å; T57-E60 VanDerWaalsContact OG1-CG 3.23Å; T57-E60 WeakPolarHBondContact OG1-CG 3.27Å; T57-E60 PolarHBondContact OG1-N 3.34Å; T57-E60 PolarHBondContact OG1-OE2 2.77Å; T57-G61 PolarHBondContact O-N 2.85Å
58	R	98	Very high	97.9	Very high	20 Å²	20	47.2 Å²	47.2	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-44.3	175.8	179.8	-178.3	178	-71.6	-0.7	111.9	T32 G61 L62 M329 E334	T32-R58 WeakPolarHBondContact O-CB 3.45Å; T32-R58 PolarHBondContact O-N 3.22Å; R58-G61 PolarHBondContact O-N 2.82Å; R58-L62 PolarHBondContact O-N 3.5Å; R58-M329 HydrophobicContact CB-CE 4.2Å; R58-M329 WeakPolarHBondContact CD-O 3.47Å; R58-M329 VanDerWaalsContact CG-O 3.26Å; R58-M329 WeakPolarHBondContact CG-O 3.32Å; R58-M329 PolarHBondContact NE-O 3.49Å; R58-E334 IonicContact CZ-OE1 3.18Å; R58-E334 IonicContact CZ-OE2 3.99Å; R58-E334 IonicContact NH2-OE1 2.69Å; R58-E334 PolarHBondContact NH2-OE1 3.22Å; R58-E334 IonicContact NH2-OE2 2.74Å; R58-E334 PolarHBondContact NH2-OE2 3.28Å
59	D	98.4	Very high	98.1	Very high	117 Å²	117	41.5 Å²	41.5	63%	0.626	22%	0.224	S	C	*	.	H	α-helix	trans	-66.6	-42	-176.8	-64.2	-15.6	0	0	0	111.3	T57 G61 Q63	T57-D59 VanDerWaalsContact C-N 3.29Å; T57-D59 PolarHBondContact O-N 2.97Å; D59-G61 VanDerWaalsContact C-N 3.35Å; D59-G61 PolarHBondContact O-N 3.14Å; D59-Q63 VanDerWaalsContact O-CB 3.31Å; D59-Q63 WeakPolarHBondContact O-CB 3.47Å; D59-Q63 PolarHBondContact O-N 3.12Å
60	E	98.6	Very high	98.3	Very high	57 Å²	57	40.3 Å²	40.3	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-56	-50.4	169.8	-76.2	175.6	149.8	0	0	111	M56 T57 L62 Q63 Y64 R263	M56-E60 HydrophobicContact CG-CB 4.16Å; T57-E60 PolarHBondContact N-OE2 2.78Å; T57-E60 PolarHBondContact O-N 3.11Å; T57-E60 WeakPolarHBondContact OG1-CB 3.38Å; T57-E60 VanDerWaalsContact OG1-CG 3.23Å; T57-E60 WeakPolarHBondContact OG1-CG 3.27Å; T57-E60 PolarHBondContact OG1-N 3.34Å; T57-E60 PolarHBondContact OG1-OE2 2.77Å; E60-L62 PolarHBondContact O-N 3.02Å; E60-Q63 PolarHBondContact O-N 3.4Å; E60-Y64 HydrophobicContact CB-CD2 4.48Å; E60-Y64 HydrophobicContact CB-CE1 4.49Å; E60-Y64 HydrophobicContact CB-CE2 3.81Å; E60-Y64 WeakPolarHBondContact O-CD1 3.45Å; E60-Y64 VanDerWaalsContact O-CD2 3.29Å; E60-Y64 WeakPolarHBondContact O-CD2 3.47Å; E60-Y64 PolarHBondContact O-N 3.33Å; E60-R263 IonicContact OE1-NH1 3.7Å; E60-R263 IonicContact OE2-NH1 2.73Å; E60-R263 PolarHBondContact OE2-NH1 3.36Å
61	G	98.8	Very high	98.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-42.7	-177.1	0	0	0	0	0	113.7	T57 R58 D59 Y65	T57-G61 PolarHBondContact O-N 2.85Å; R58-G61 PolarHBondContact O-N 2.82Å; D59-G61 VanDerWaalsContact C-N 3.35Å; D59-G61 PolarHBondContact O-N 3.14Å; G61-Y65 WeakPolarHBondContact O-CB 3.42Å; G61-Y65 PolarHBondContact O-N 3.34Å
62	L	98.8	Very high	98.6	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-39.7	174.6	-69.8	-174	0	0	0	112.1	R58 E60 Y65 R66 A330 L335 I338	R58-L62 PolarHBondContact O-N 3.5Å; E60-L62 PolarHBondContact O-N 3.02Å; L62-Y65 PolarHBondContact O-N 3.38Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 2.93Å; L62-A330 HydrophobicContact CD2-CB 3.89Å; L62-L335 HydrophobicContact CD2-CD2 3.78Å; L62-I338 HydrophobicContact CD2-CD1 3.98Å
63	Q	98.8	Very high	98.7	Very high	106 Å²	106	38.9 Å²	38.9	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-65	-43.6	177.3	-178.2	59.1	22.8	0	0	111.6	D59 E60 T67	D59-Q63 VanDerWaalsContact O-CB 3.31Å; D59-Q63 WeakPolarHBondContact O-CB 3.47Å; D59-Q63 PolarHBondContact O-N 3.12Å; E60-Q63 PolarHBondContact O-N 3.4Å; Q63-T67 PolarHBondContact NE2-OG1 3.41Å; Q63-T67 WeakPolarHBondContact O-CB 3.47Å; Q63-T67 PolarHBondContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.47Å
64	Y	98.9	Very high	98.7	Very high	19 Å²	19	33.2 Å²	33.2	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-44.4	175.9	-58.3	-22.9	0	0	0	111.2	M56 E60 T67 M68 V102 A106 I259	M56-Y64 HydrophobicContact CG-CE2 4.47Å; M56-Y64 HydrophobicContact SD-CD2 4.22Å; M56-Y64 HydrophobicContact SD-CE2 4.4Å; E60-Y64 HydrophobicContact CB-CD2 4.48Å; E60-Y64 HydrophobicContact CB-CE1 4.49Å; E60-Y64 HydrophobicContact CB-CE2 3.81Å; E60-Y64 WeakPolarHBondContact O-CD1 3.45Å; E60-Y64 VanDerWaalsContact O-CD2 3.29Å; E60-Y64 WeakPolarHBondContact O-CD2 3.47Å; E60-Y64 PolarHBondContact O-N 3.33Å; Y64-T67 PolarHBondContact O-N 3.49Å; Y64-M68 WeakPolarHBondContact O-CG 3.43Å; Y64-M68 PolarHBondContact O-N 2.97Å; Y64-V102 HydrophobicContact CD1-CG1 3.88Å; Y64-V102 HydrophobicContact CG-CG1 4.23Å; Y64-A106 HydrophobicContact CD1-CB 4.5Å; Y64-A106 HydrophobicContact CE1-CB 3.61Å; Y64-I259 HydrophobicContact CD2-CG1 4.21Å; Y64-I259 HydrophobicContact CG-CG1 4.38Å
65	Y	98.9	Very high	98.8	Very high	5 Å²	5	33 Å²	33	2%	0.02	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-51.1	177.6	-177.8	-92.8	0	0	0	111.2	G61 L62 T67 Q69 I317 K321 L335 I338 D339	G61-Y65 WeakPolarHBondContact O-CB 3.42Å; G61-Y65 PolarHBondContact O-N 3.34Å; L62-Y65 PolarHBondContact O-N 3.38Å; Y65-T67 PolarHBondContact O-N 3.25Å; Y65-Q69 VanDerWaalsContact O-CB 3.24Å; Y65-Q69 WeakPolarHBondContact O-CB 3.22Å; Y65-Q69 PolarHBondContact O-N 2.96Å; Y65-I317 HydrophobicContact CD2-CG2 4.08Å; Y65-I317 HydrophobicContact CE2-CG2 3.58Å; Y65-K321 HydrophobicContact CD2-CB 4.44Å; Y65-K321 HydrophobicContact CE2-CB 3.96Å; Y65-L335 HydrophobicContact CD1-CD2 3.8Å; Y65-L335 HydrophobicContact CD2-CD2 4.46Å; Y65-L335 HydrophobicContact CE1-CB 4.03Å; Y65-L335 HydrophobicContact CE1-CD2 4.03Å; Y65-L335 HydrophobicContact CE2-CD1 4.5Å; Y65-L335 HydrophobicContact CG-CD2 4.05Å; Y65-I338 HydrophobicContact CD1-CB 4.39Å; Y65-I338 HydrophobicContact CD1-CD1 4.19Å; Y65-I338 HydrophobicContact CD1-CG2 3.98Å; Y65-I338 HydrophobicContact CE1-CB 4.34Å; Y65-I338 HydrophobicContact CE1-CG2 4.16Å; Y65-D339 PolarHBondContact OH-OD1 2.92Å; Y65-D339 VanDerWaalsContact OH-OD1 3.07Å; Y65-D339 PolarHBondContact OH-OD2 3.31Å
66	R	98.9	Very high	98.8	Very high	73 Å²	73	32.3 Å²	32.3	28%	0.275	15%	0.154	S	C	.	.	H	α-helix	trans	-56.4	-48.8	176.5	-178.9	179.7	-66.5	-87.7	6	111.4	L62 Q69 T70 I338 E341 V342	L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 2.93Å; R66-Q69 PolarHBondContact O-N 2.87Å; R66-T70 PolarHBondContact O-N 3Å; R66-T70 PolarHBondContact O-OG1 3.5Å; R66-T70 VanDerWaalsContact O-OG1 3.06Å; R66-I338 HydrophobicContact CB-CG2 3.74Å; R66-I338 HydrophobicContact CG-CG2 3.95Å; R66-E341 IonicContact CZ-OE2 2.81Å; R66-E341 IonicContact NH1-OE2 3.44Å; R66-E341 PolarHBondContact NH1-OE2 3.07Å; R66-E341 IonicContact NH2-OE2 3.86Å; R66-E341 PolarHBondContact NH2-OE2 3.07Å; R66-V342 HydrophobicContact CG-CG2 3.97Å
67	T	98.9	Very high	98.8	Very high	27 Å²	27	33 Å²	33	17%	0.166	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-48.6	-175.9	-53.5	0	0	0	0	111.8	Q63 Y64 Y65 Q69 T70 M71 V102 T126	Q63-T67 PolarHBondContact NE2-OG1 3.41Å; Q63-T67 WeakPolarHBondContact O-CB 3.47Å; Q63-T67 PolarHBondContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.47Å; Y64-T67 PolarHBondContact O-N 3.49Å; Y65-T67 PolarHBondContact O-N 3.25Å; T67-Q69 VanDerWaalsContact C-N 3.27Å; T67-Q69 PolarHBondContact O-N 3.05Å; T67-T70 PolarHBondContact O-N 3.21Å; T67-M71 WeakPolarHBondContact O-CG 3.42Å; T67-M71 PolarHBondContact O-N 3.37Å; T67-V102 HydrophobicContact CG2-CG2 3.68Å; T67-T126 HydrophobicContact CG2-CG2 4.05Å
68	M	98.9	Very high	98.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-36.8	176.7	-67.5	-167.2	-67.1	0	0	111.5	Y64 M71 R72 E98 A99 V102 I259 P316 I317 L320	Y64-M68 WeakPolarHBondContact O-CG 3.43Å; Y64-M68 PolarHBondContact O-N 2.97Å; M68-M71 WeakPolarHBondContact O-CB 3.4Å; M68-M71 PolarHBondContact O-N 2.86Å; M68-R72 WeakPolarHBondContact O-CB 3.36Å; M68-R72 PolarHBondContact O-N 3.47Å; M68-E98 HydrophobicContact CB-CB 3.81Å; M68-E98 HydrophobicContact CB-CG 4.44Å; M68-E98 HydrophobicContact CG-CB 3.76Å; M68-E98 HydrophobicContact SD-CB 4.08Å; M68-A99 HydrophobicContact SD-CB 4.42Å; M68-V102 HydrophobicContact CG-CB 3.92Å; M68-V102 HydrophobicContact CG-CG1 4.28Å; M68-V102 HydrophobicContact CG-CG2 3.52Å; M68-I259 HydrophobicContact CE-CB 4.46Å; M68-I259 HydrophobicContact SD-CB 4.42Å; M68-I259 HydrophobicContact SD-CD1 4.49Å; M68-P316 HydrophobicContact SD-CB 4.25Å; M68-I317 HydrophobicContact CB-CD1 4.15Å; M68-I317 HydrophobicContact CB-CG1 3.79Å; M68-I317 WeakPolarHBondContact O-CD1 3.25Å; M68-L320 HydrophobicContact CE-CB 3.9Å; M68-L320 HydrophobicContact CE-CD2 3.35Å; M68-L320 HydrophobicContact CE-CG 4.26Å
69	Q	98.9	Very high	98.9	Very high	25 Å²	25	30.9 Å²	30.9	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-41.7	175.8	-170.5	68.5	-19.4	0	0	112	Y65 R66 T67 M71 R72 R73 D339 V342	Y65-Q69 VanDerWaalsContact O-CB 3.24Å; Y65-Q69 WeakPolarHBondContact O-CB 3.22Å; Y65-Q69 PolarHBondContact O-N 2.96Å; R66-Q69 PolarHBondContact O-N 2.87Å; T67-Q69 VanDerWaalsContact C-N 3.27Å; T67-Q69 PolarHBondContact O-N 3.05Å; Q69-M71 VanDerWaalsContact C-N 3.32Å; Q69-M71 PolarHBondContact O-N 3.19Å; Q69-R72 PolarHBondContact O-N 3.2Å; Q69-R73 HydrophobicContact CG-CG 4.33Å; Q69-R73 WeakPolarHBondContact O-CB 3.4Å; Q69-R73 VanDerWaalsContact O-CG 3.26Å; Q69-R73 WeakPolarHBondContact O-CG 3.31Å; Q69-R73 PolarHBondContact O-N 3.4Å; Q69-D339 VanDerWaalsContact CD-OD1 3.28Å; Q69-D339 WeakPolarHBondContact CG-OD1 3.23Å; Q69-D339 PolarHBondContact NE2-OD1 2.68Å; Q69-V342 HydrophobicContact CG-CB 4.43Å; Q69-V342 HydrophobicContact CG-CG1 4.13Å
70	T	98.9	Very high	98.9	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-58.3	-45.5	173.4	-60	0	0	0	0	110.9	R66 T67 R73 M74 L125 V131 V342 I346	R66-T70 PolarHBondContact O-N 3Å; R66-T70 PolarHBondContact O-OG1 3.5Å; R66-T70 VanDerWaalsContact O-OG1 3.06Å; T67-T70 PolarHBondContact O-N 3.21Å; T70-R73 PolarHBondContact O-N 3.43Å; T70-M74 VanDerWaalsContact O-CB 3.25Å; T70-M74 WeakPolarHBondContact O-CB 3.44Å; T70-M74 PolarHBondContact O-N 2.85Å; T70-L125 HydrophobicContact CG2-CD2 3.79Å; T70-V131 HydrophobicContact CG2-CG2 3.51Å; T70-V342 WeakPolarHBondContact OG1-CG2 3.44Å; T70-I346 HydrophobicContact CG2-CD1 4.08Å
71	M	98.9	Very high	98.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	12%	0.122	C	C	.	.	H	α-helix	trans	-56.8	-54.8	173.7	-68.4	177.8	55.8	0	0	111.6	T67 M68 Q69 R73 M74 E75 Y94 E98 A101 V102 L125 T126	T67-M71 WeakPolarHBondContact O-CG 3.42Å; T67-M71 PolarHBondContact O-N 3.37Å; M68-M71 WeakPolarHBondContact O-CB 3.4Å; M68-M71 PolarHBondContact O-N 2.86Å; Q69-M71 VanDerWaalsContact C-N 3.32Å; Q69-M71 PolarHBondContact O-N 3.19Å; M71-R73 VanDerWaalsContact C-N 3.31Å; M71-R73 PolarHBondContact O-N 3.26Å; M71-M74 PolarHBondContact O-N 3.47Å; M71-E75 VanDerWaalsContact O-CG 3.31Å; M71-E75 WeakPolarHBondContact O-CG 3.35Å; M71-E75 PolarHBondContact O-N 2.95Å; M71-Y94 HydrophobicContact CE-CD1 3.53Å; M71-Y94 HydrophobicContact CE-CE1 3.85Å; M71-E98 HydrophobicContact CB-CG 3.92Å; M71-E98 HydrophobicContact CE-CB 4.21Å; M71-E98 HydrophobicContact CE-CG 4.06Å; M71-E98 HydrophobicContact SD-CB 4.45Å; M71-A101 HydrophobicContact CE-CB 3.78Å; M71-A101 HydrophobicContact SD-CB 4.19Å; M71-V102 HydrophobicContact SD-CG2 3.75Å; M71-L125 HydrophobicContact CG-CD2 3.64Å; M71-T126 HydrophobicContact SD-CG2 4.23Å
72	R	98.9	Very high	98.9	Very high	18 Å²	18	28.6 Å²	28.6	7%	0.068	13%	0.129	C	C	.	.	H	α-helix	trans	-54	-47.4	-179.9	176.9	63.3	58	76.7	3.6	111.9	M68 Q69 L76 E98 D315 I317	M68-R72 WeakPolarHBondContact O-CB 3.36Å; M68-R72 PolarHBondContact O-N 3.47Å; Q69-R72 PolarHBondContact O-N 3.2Å; R72-L76 HydrophobicContact CG-CD1 4.2Å; R72-L76 VanDerWaalsContact O-CG 3.26Å; R72-L76 WeakPolarHBondContact O-CG 3.33Å; R72-L76 PolarHBondContact O-N 2.96Å; R72-L76 VanDerWaalsContact O-N 3.11Å; R72-E98 IonicContact CZ-OE1 2.59Å; R72-E98 IonicContact CZ-OE2 3.64Å; R72-E98 IonicContact NE-OE1 3.69Å; R72-E98 PolarHBondContact NE-OE1 2.98Å; R72-E98 IonicContact NE-OE2 3.27Å; R72-E98 IonicContact NH2-OE1 2.85Å; R72-E98 PolarHBondContact NH2-OE1 3.23Å; R72-E98 IonicContact NH2-OE2 3.3Å; R72-E98 PolarHBondContact NH2-OE2 3.23Å; R72-D315 IonicContact CZ-OD2 3.59Å; R72-D315 VanDerWaalsContact CZ-OD2 3.28Å; R72-D315 IonicContact NH1-OD1 2.71Å; R72-D315 IonicContact NH1-OD2 2.92Å; R72-D315 PolarHBondContact NH1-OD2 2.76Å; R72-D315 IonicContact NH2-OD2 2.68Å; R72-D315 PolarHBondContact NH2-OD2 3.08Å; R72-I317 HydrophobicContact CB-CD1 3.67Å; R72-I317 HydrophobicContact CG-CD1 4.11Å
73	R	98.9	Very high	98.9	Very high	79 Å²	79	33.9 Å²	33.9	30%	0.298	15%	0.151	S	C	.	.	H	α-helix	trans	-71.5	-36.7	-176.8	-63.5	-53.3	-57.7	176.9	1.5	112	Q69 T70 M71 L76 K77 V342 I346	Q69-R73 HydrophobicContact CG-CG 4.33Å; Q69-R73 WeakPolarHBondContact O-CB 3.4Å; Q69-R73 VanDerWaalsContact O-CG 3.26Å; Q69-R73 WeakPolarHBondContact O-CG 3.31Å; Q69-R73 PolarHBondContact O-N 3.4Å; T70-R73 PolarHBondContact O-N 3.43Å; M71-R73 VanDerWaalsContact C-N 3.31Å; M71-R73 PolarHBondContact O-N 3.26Å; R73-L76 PolarHBondContact O-N 3.28Å; R73-K77 WeakPolarHBondContact O-CB 3.38Å; R73-K77 PolarHBondContact O-N 2.96Å; R73-V342 HydrophobicContact CB-CG1 4.13Å; R73-V342 HydrophobicContact CG-CG1 3.94Å; R73-I346 HydrophobicContact CB-CD1 4.49Å; R73-I346 HydrophobicContact CB-CG1 3.6Å
74	M	98.9	Very high	98.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-47.8	173	-179.4	176.9	65.5	0	0	111.2	T70 M71 L76 K77 A78 H121 L125 V131 I134 M135 I346	T70-M74 VanDerWaalsContact O-CB 3.25Å; T70-M74 WeakPolarHBondContact O-CB 3.44Å; T70-M74 PolarHBondContact O-N 2.85Å; M71-M74 PolarHBondContact O-N 3.47Å; M74-L76 PolarHBondContact O-N 2.68Å; M74-K77 WeakPolarHBondContact O-CB 3.42Å; M74-K77 PolarHBondContact O-N 3.24Å; M74-A78 PolarHBondContact O-N 2.94Å; M74-H121 HydrophobicContact CE-CB 3.77Å; M74-L125 HydrophobicContact CE-CB 4.39Å; M74-L125 HydrophobicContact CE-CD2 4.46Å; M74-V131 HydrophobicContact CG-CG1 4.29Å; M74-V131 HydrophobicContact SD-CG1 4.29Å; M74-V131 HydrophobicContact SD-CG2 4.41Å; M74-I134 HydrophobicContact CE-CD1 4.28Å; M74-I134 HydrophobicContact CE-CG2 4.42Å; M74-I134 HydrophobicContact SD-CB 4.12Å; M74-I134 HydrophobicContact SD-CD1 3.91Å; M74-I134 HydrophobicContact SD-CG2 3.71Å; M74-M135 HydrophobicContact CG-SD 3.97Å; M74-I346 HydrophobicContact CB-CD1 3.99Å
75	E	98.9	Very high	98.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-42.3	179.6	-62.2	-67.1	-168.8	0	0	112.3	M71 K77 A78 D79 L93 Y94 D95 H121	M71-E75 VanDerWaalsContact O-CG 3.31Å; M71-E75 WeakPolarHBondContact O-CG 3.35Å; M71-E75 PolarHBondContact O-N 2.95Å; E75-K77 VanDerWaalsContact C-N 3.27Å; E75-K77 PolarHBondContact O-N 3.28Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.14Å; E75-D79 PolarHBondContact O-N 3.06Å; E75-L93 HydrophobicContact CB-CB 4.32Å; E75-L93 HydrophobicContact CB-CD2 4.41Å; E75-L93 WeakPolarHBondContact OE2-CA 3.44Å; E75-L93 WeakPolarHBondContact OE2-CD2 3.44Å; E75-Y94 WeakPolarHBondContact OE1-CB 3.43Å; E75-Y94 PolarHBondContact OE1-N 3.07Å; E75-D95 HydrophobicContact CB-CB 4.16Å; E75-H121 WeakPolarHBondContact OE1-CB 3.27Å; E75-H121 IonicContact OE1-CG 3.25Å; E75-H121 IonicContact OE1-ND1 3.91Å; E75-H121 PolarHBondContact OE1-ND1 2.82Å; E75-H121 IonicContact OE2-CE1 3.62Å; E75-H121 IonicContact OE2-CG 3.95Å; E75-H121 IonicContact OE2-ND1 3.34Å; E75-H121 PolarHBondContact OE2-ND1 3.25Å
76	L	98.9	Very high	98.8	Very high	55 Å²	55	42.9 Å²	42.9	29%	0.288	19%	0.193	S	C	.	.	H	α-helix	trans	-64.4	-32	175.1	-68.3	175.6	0	0	0	112.5	R72 R73 M74 Q80	R72-L76 HydrophobicContact CG-CD1 4.2Å; R72-L76 VanDerWaalsContact O-CG 3.26Å; R72-L76 WeakPolarHBondContact O-CG 3.33Å; R72-L76 PolarHBondContact O-N 2.96Å; R72-L76 VanDerWaalsContact O-N 3.11Å; R73-L76 PolarHBondContact O-N 3.28Å; M74-L76 PolarHBondContact O-N 2.68Å; L76-Q80 PolarHBondContact O-N 2.79Å
77	K	98.9	Very high	98.8	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-72.1	-39.1	173.1	-177.4	61.2	62.5	173.9	0	111.4	R73 M74 E75 D79 Q80 L81 M135 I346 E347 A350	R73-K77 WeakPolarHBondContact O-CB 3.38Å; R73-K77 PolarHBondContact O-N 2.96Å; M74-K77 WeakPolarHBondContact O-CB 3.42Å; M74-K77 PolarHBondContact O-N 3.24Å; E75-K77 VanDerWaalsContact C-N 3.27Å; E75-K77 PolarHBondContact O-N 3.28Å; K77-D79 VanDerWaalsContact C-N 3.34Å; K77-D79 PolarHBondContact O-N 3.36Å; K77-Q80 WeakPolarHBondContact O-CB 3.47Å; K77-Q80 PolarHBondContact O-N 2.84Å; K77-L81 HydrophobicContact CD-CG 4.28Å; K77-L81 HydrophobicContact CG-CD1 4.34Å; K77-L81 HydrophobicContact CG-CG 4.41Å; K77-L81 WeakPolarHBondContact O-CG 3.46Å; K77-L81 PolarHBondContact O-N 2.87Å; K77-M135 HydrophobicContact CB-CE 4.07Å; K77-M135 HydrophobicContact CG-CE 3.42Å; K77-M135 VanDerWaalsContact CG-CE 3.42Å; K77-I346 HydrophobicContact CB-CG2 3.58Å; K77-I346 HydrophobicContact CG-CG2 3.89Å; K77-E347 VanDerWaalsContact CE-OE1 3.27Å; K77-E347 WeakPolarHBondContact CE-OE1 3.44Å; K77-E347 IonicContact NZ-OE1 2.82Å; K77-E347 PolarHBondContact NZ-OE1 3.41Å; K77-E347 IonicContact NZ-OE2 3.95Å; K77-E347 PolarHBondContact NZ-OE2 2.95Å; K77-A350 HydrophobicContact CD-CB 3.76Å; K77-A350 HydrophobicContact CG-CB 3.79Å
78	A	98.9	Very high	98.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-41.2	174	0	0	0	0	0	111.8	M74 E75 Q80 L81 Y82 I87 L93 L138	M74-A78 PolarHBondContact O-N 2.94Å; E75-A78 WeakPolarHBondContact O-CB 3.47Å; E75-A78 PolarHBondContact O-N 3.14Å; A78-Q80 PolarHBondContact O-N 3.14Å; A78-L81 PolarHBondContact O-N 2.78Å; A78-Y82 VanDerWaalsContact O-CB 3.32Å; A78-Y82 WeakPolarHBondContact O-CB 3.33Å; A78-Y82 PolarHBondContact O-N 3.07Å; A78-I87 HydrophobicContact CB-CD1 4.08Å; A78-L93 HydrophobicContact CB-CD2 3.82Å; A78-L138 HydrophobicContact CB-CD1 3.93Å
79	D	98.9	Very high	98.7	Very high	21 Å²	21	51 Å²	51	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-53.7	-51.1	170.2	170.3	74.4	0	0	0	111.7	E75 K77 L81 Y82 K83 L93 H290 M294	E75-D79 PolarHBondContact O-N 3.06Å; K77-D79 VanDerWaalsContact C-N 3.34Å; K77-D79 PolarHBondContact O-N 3.36Å; D79-L81 PolarHBondContact O-N 2.71Å; D79-Y82 PolarHBondContact O-N 3.34Å; D79-K83 WeakPolarHBondContact O-CG 3.28Å; D79-K83 PolarHBondContact O-N 3.29Å; D79-K83 WeakPolarHBondContact OD1-CE 3.23Å; D79-K83 IonicContact OD1-NZ 2.74Å; D79-K83 PolarHBondContact OD1-NZ 3.4Å; D79-K83 WeakPolarHBondContact OD2-CE 3.32Å; D79-K83 IonicContact OD2-NZ 2.74Å; D79-K83 PolarHBondContact OD2-NZ 2.99Å; D79-L93 HydrophobicContact CB-CD1 3.78Å; D79-H290 IonicContact OD1-NE2 3.48Å; D79-M294 HydrophobicContact CB-CE 4.26Å; D79-M294 HydrophobicContact CB-SD 4.36Å; D79-M294 WeakPolarHBondContact OD1-CE 3.34Å
80	Q	98.8	Very high	98.7	Very high	81 Å²	81	55.3 Å²	55.3	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-50.3	-179.9	-176.4	-175.8	10	0	0	111.7	L76 K77 A78 Y82 K83 Q84	L76-Q80 PolarHBondContact O-N 2.79Å; K77-Q80 WeakPolarHBondContact O-CB 3.47Å; K77-Q80 PolarHBondContact O-N 2.84Å; A78-Q80 PolarHBondContact O-N 3.14Å; Q80-Y82 VanDerWaalsContact C-N 3.31Å; Q80-Y82 PolarHBondContact O-N 2.83Å; Q80-K83 PolarHBondContact O-N 3.34Å; Q80-Q84 WeakPolarHBondContact O-CG 3.4Å; Q80-Q84 PolarHBondContact O-N 3.35Å
81	L	98.8	Very high	98.7	Very high	6 Å²	6	55 Å²	55	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-32.4	-178.4	-67.3	-178	0	0	0	112.3	K77 A78 D79 Q84 K85 I86 I87 M135 T139 T354	K77-L81 HydrophobicContact CD-CG 4.28Å; K77-L81 HydrophobicContact CG-CD1 4.34Å; K77-L81 HydrophobicContact CG-CG 4.41Å; K77-L81 WeakPolarHBondContact O-CG 3.46Å; K77-L81 PolarHBondContact O-N 2.87Å; A78-L81 PolarHBondContact O-N 2.78Å; D79-L81 PolarHBondContact O-N 2.71Å; L81-Q84 CarbonylContact O-C 3.49Å; L81-Q84 PolarHBondContact O-N 3.4Å; L81-K85 PolarHBondContact O-N 3.49Å; L81-I86 HydrophobicContact CB-CB 4.36Å; L81-I86 HydrophobicContact CD2-CD1 3.72Å; L81-I86 PolarHBondContact O-N 3.37Å; L81-I87 HydrophobicContact CB-CD1 3.7Å; L81-I87 HydrophobicContact CB-CG1 3.9Å; L81-I87 HydrophobicContact CD1-CD1 4.38Å; L81-I87 PolarHBondContact O-N 3.25Å; L81-M135 HydrophobicContact CD1-CE 3.31Å; L81-M135 HydrophobicContact CG-CE 4.42Å; L81-T139 HydrophobicContact CD1-CG2 4.04Å; L81-T354 HydrophobicContact CD2-CG2 3.96Å
82	Y	98.8	Very high	98.7	Very high	39 Å²	39	55.1 Å²	55.1	15%	0.153	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-44.3	173.7	-167.9	-76.6	0	0	0	111.6	A78 D79 Q80 Q84 K85 I87 G89 C91 M294	A78-Y82 VanDerWaalsContact O-CB 3.32Å; A78-Y82 WeakPolarHBondContact O-CB 3.33Å; A78-Y82 PolarHBondContact O-N 3.07Å; D79-Y82 PolarHBondContact O-N 3.34Å; Q80-Y82 VanDerWaalsContact C-N 3.31Å; Q80-Y82 PolarHBondContact O-N 2.83Å; Y82-Q84 PolarHBondContact O-N 3.08Å; Y82-K85 WeakPolarHBondContact O-CA 3.33Å; Y82-K85 PolarHBondContact O-N 3.1Å; Y82-I87 HydrophobicContact CD2-CB 3.97Å; Y82-I87 HydrophobicContact CD2-CG2 3.66Å; Y82-I87 HydrophobicContact CE2-CG2 4.38Å; Y82-I87 HydrophobicContact CG-CB 4.45Å; Y82-G89 WeakPolarHBondContact CE2-O 3.34Å; Y82-G89 PolarHBondContact OH-O 2.96Å; Y82-C91 HydrophobicContact CD2-CB 3.61Å; Y82-C91 HydrophobicContact CE2-CB 3.85Å; Y82-M294 HydrophobicContact CD1-CB 3.52Å; Y82-M294 HydrophobicContact CD1-CE 3.92Å; Y82-M294 HydrophobicContact CD1-CG 3.9Å; Y82-M294 HydrophobicContact CD2-CB 3.82Å; Y82-M294 HydrophobicContact CD2-CG 3.76Å; Y82-M294 HydrophobicContact CE1-CB 3.44Å; Y82-M294 VanDerWaalsContact CE1-CB 3.44Å; Y82-M294 HydrophobicContact CE1-CG 4.29Å; Y82-M294 HydrophobicContact CE2-CB 3.75Å; Y82-M294 HydrophobicContact CE2-CG 4.17Å; Y82-M294 HydrophobicContact CG-CB 3.73Å; Y82-M294 HydrophobicContact CG-CE 4.13Å; Y82-M294 HydrophobicContact CG-CG 3.63Å
83	K	98.4	Very high	98.7	Very high	133 Å²	133	54.4 Å²	54.4	58%	0.578	25%	0.251	S	S	*	.	H	α-helix	trans	-61.6	-33	175.1	-73.5	169.8	179.8	158.6	0	112.1	D79 Q80 K85 M294	D79-K83 WeakPolarHBondContact O-CG 3.28Å; D79-K83 PolarHBondContact O-N 3.29Å; D79-K83 WeakPolarHBondContact OD1-CE 3.23Å; D79-K83 IonicContact OD1-NZ 2.74Å; D79-K83 PolarHBondContact OD1-NZ 3.4Å; D79-K83 WeakPolarHBondContact OD2-CE 3.32Å; D79-K83 IonicContact OD2-NZ 2.74Å; D79-K83 PolarHBondContact OD2-NZ 2.99Å; Q80-K83 PolarHBondContact O-N 3.34Å; K83-K85 PolarHBondContact O-N 3.04Å; K83-M294 HydrophobicContact CG-CE 4.34Å
84	Q	98.6	Very high	98.7	Very high	102 Å²	102	50.7 Å²	50.7	48%	0.477	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.5	173	-68.7	174.6	-11.8	0	0	114.3	Q80 L81 Y82 I86	Q80-Q84 WeakPolarHBondContact O-CG 3.4Å; Q80-Q84 PolarHBondContact O-N 3.35Å; L81-Q84 CarbonylContact O-C 3.49Å; L81-Q84 PolarHBondContact O-N 3.4Å; Y82-Q84 PolarHBondContact O-N 3.08Å; Q84-I86 HydrophobicContact CB-CD1 3.93Å; Q84-I86 HydrophobicContact CB-CG1 4.09Å; Q84-I86 PolarHBondContact O-N 2.99Å
85	K	98.6	Very high	98.7	Very high	166 Å²	166	50.7 Å²	50.7	72%	0.722	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	15.8	-178.2	-50.3	-59.5	-177.9	-176.2	0	114.9	L81 Y82 K83	L81-K85 PolarHBondContact O-N 3.49Å; Y82-K85 WeakPolarHBondContact O-CA 3.33Å; Y82-K85 PolarHBondContact O-N 3.1Å; K83-K85 PolarHBondContact O-N 3.04Å
86	I	98.6	Very high	98.7	Very high	51 Å²	51	50.6 Å²	50.6	26%	0.262	24%	0.237	S	C	.	.	S	Bend	trans	-78.4	-40	174.8	-60.1	168.3	0	0	0	109.4	L81 Q84 T139 T354	L81-I86 HydrophobicContact CB-CB 4.36Å; L81-I86 HydrophobicContact CD2-CD1 3.72Å; L81-I86 PolarHBondContact O-N 3.37Å; Q84-I86 HydrophobicContact CB-CD1 3.93Å; Q84-I86 HydrophobicContact CB-CG1 4.09Å; Q84-I86 PolarHBondContact O-N 2.99Å; I86-T139 HydrophobicContact CG2-CG2 3.57Å; I86-T354 HydrophobicContact CD1-CG2 4.01Å; I86-T354 HydrophobicContact CG2-CG2 4.13Å
87	I	98.8	Very high	98.7	Very high	4 Å²	4	48 Å²	48	2%	0.021	22%	0.223	C	C	.	.	S	Bend	trans	-93.1	141.1	166.6	-56.6	170.7	0	0	0	108.3	A78 L81 Y82 C91 L138 T139	A78-I87 HydrophobicContact CB-CD1 4.08Å; L81-I87 HydrophobicContact CB-CD1 3.7Å; L81-I87 HydrophobicContact CB-CG1 3.9Å; L81-I87 HydrophobicContact CD1-CD1 4.38Å; L81-I87 PolarHBondContact O-N 3.25Å; Y82-I87 HydrophobicContact CD2-CB 3.97Å; Y82-I87 HydrophobicContact CD2-CG2 3.66Å; Y82-I87 HydrophobicContact CE2-CG2 4.38Å; Y82-I87 HydrophobicContact CG-CB 4.45Å; I87-C91 HydrophobicContact CG2-CB 4.31Å; I87-L138 HydrophobicContact CD1-CB 3.75Å; I87-L138 HydrophobicContact CD1-CD1 4.23Å; I87-L138 HydrophobicContact CG1-CB 4.01Å; I87-L138 HydrophobicContact CG2-CB 4.47Å; I87-L138 WeakPolarHBondContact CG2-O 3.37Å; I87-T139 HydrophobicContact CG1-CG2 4.02Å
88	R	98	Very high	98.7	Very high	214 Å²	214	47.3 Å²	47.3	81%	0.808	22%	0.22	S	C	*	.			trans	-135.2	171.7	-177.5	54.6	177.6	-116.9	115.3	0.4	111.3
89	G	98.3	Very high	98.7	Very high	52 Å²	52	47.3 Å²	47.3	54%	0.536	22%	0.22	S	C	.	.	S	Bend	trans	69.9	-135	178.6	0	0	0	0	0	112.1	Y82	Y82-G89 WeakPolarHBondContact CE2-O 3.34Å; Y82-G89 PolarHBondContact OH-O 2.96Å
90	F	98.5	Very high	98.7	Very high	116 Å²	116	46.3 Å²	46.3	51%	0.509	22%	0.215	S	C	.	.			trans	-85.8	143.2	176.9	-71.6	-70.2	0	0	0	111.7	H92 S152 M153	F90-H92 AromaticContact CD1-CE1 3.84Å; F90-H92 AromaticContact CD1-NE2 4Å; F90-H92 AromaticContact CG-CE1 3.96Å; F90-S152 WeakPolarHBondContact O-CB 3.5Å; F90-M153 HydrophobicContact CB-CE 4.36Å; F90-M153 HydrophobicContact CB-CG 4.08Å; F90-M153 HydrophobicContact CB-SD 3.87Å; F90-M153 HydrophobicContact CD2-CE 3.6Å; F90-M153 HydrophobicContact CD2-SD 3.84Å; F90-M153 HydrophobicContact CE2-CE 4.29Å; F90-M153 HydrophobicContact CG-CE 4.28Å; F90-M153 HydrophobicContact CG-SD 3.95Å
91	C	98.8	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.197	C	C	.	.			trans	-150.9	114.8	170.1	-176.1	0	0	0	0	108.4	Y82 I87 S293 M294	Y82-C91 HydrophobicContact CD2-CB 3.61Å; Y82-C91 HydrophobicContact CE2-CB 3.85Å; I87-C91 HydrophobicContact CG2-CB 4.31Å; C91-S293 CarbonylContact O-C 3.59Å; C91-S293 WeakPolarHBondContact O-CA 3.45Å; C91-M294 HydrophobicContact CB-CB 4.31Å; C91-M294 HydrophobicContact CB-CG 3.66Å; C91-M294 PolarHBondContact O-N 2.97Å
92	H	98.9	Very high	98.7	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.019	20%	0.197	C	C	.	.			trans	-116.1	103	-174.4	-54.4	92.9	0	0	0	109.7	F90 Y118 R119 H292	F90-H92 AromaticContact CD1-CE1 3.84Å; F90-H92 AromaticContact CD1-NE2 4Å; F90-H92 AromaticContact CG-CE1 3.96Å; H92-Y118 HydrophobicContact CB-CD2 4Å; H92-Y118 HydrophobicContact CB-CE2 4.5Å; H92-Y118 AromaticContact CD2-CD2 3.49Å; H92-Y118 VanDerWaalsContact CD2-CD2 3.49Å; H92-Y118 WeakPolarHBondContact CD2-CD2 3.25Å; H92-Y118 AromaticContact CD2-CE2 3.47Å; H92-Y118 VanDerWaalsContact CD2-CE2 3.47Å; H92-Y118 WeakPolarHBondContact CD2-CE2 3.33Å; H92-Y118 AromaticContact CE1-CD2 3.45Å; H92-Y118 VanDerWaalsContact CE1-CD2 3.45Å; H92-Y118 WeakPolarHBondContact CE1-CD2 3.41Å; H92-Y118 AromaticContact CE1-CE2 3.99Å; H92-Y118 AromaticContact CE1-CG 3.88Å; H92-Y118 AromaticContact CG-CD2 3.4Å; H92-Y118 AromaticContact CG-CE2 3.86Å; H92-Y118 AromaticContact ND1-CD2 3.38Å; H92-Y118 WeakPolarHBondContact ND1-CD2 3.16Å; H92-Y118 AromaticContact ND1-CG 3.97Å; H92-Y118 AromaticContact NE2-CD2 3.58Å; H92-Y118 AromaticContact NE2-CE2 3.62Å; H92-R119 HydrophobicContact CB-CB 4.17Å; H92-R119 HydrophobicContact CB-CG 4Å; H92-R119 WeakPolarHBondContact O-CG 3.26Å; H92-H292 PolarHBondContact CD2-O 3.47Å; H92-H292 VanDerWaalsContact CD2-O 3.3Å
93	L	98.9	Very high	98.7	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	19%	0.19	C	C	.	.			trans	-80.5	134.1	-172.1	-54.1	-178.2	0	0	0	112.4	E75 A78 D79 R119 H290 M294	E75-L93 HydrophobicContact CB-CB 4.32Å; E75-L93 HydrophobicContact CB-CD2 4.41Å; E75-L93 WeakPolarHBondContact OE2-CA 3.44Å; E75-L93 WeakPolarHBondContact OE2-CD2 3.44Å; A78-L93 HydrophobicContact CB-CD2 3.82Å; D79-L93 HydrophobicContact CB-CD1 3.78Å; L93-R119 PolarHBondContact O-NH1 2.89Å; L93-H290 HydrophobicContact CB-CB 4.38Å; L93-H290 HydrophobicContact CD1-CB 4.36Å; L93-M294 HydrophobicContact CD1-SD 3.66Å; L93-M294 HydrophobicContact CG-SD 4.15Å
94	Y	98.8	Very high	98.7	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.162	C	C	.	.			trans	-91.1	8	-175.5	-160.1	-97.4	0	0	0	114.1	M71 E75 G96 Q97 C100 A101 R119 Y123 E223	M71-Y94 HydrophobicContact CE-CD1 3.53Å; M71-Y94 HydrophobicContact CE-CE1 3.85Å; E75-Y94 WeakPolarHBondContact OE1-CB 3.43Å; E75-Y94 PolarHBondContact OE1-N 3.07Å; Y94-G96 PolarHBondContact O-N 3.42Å; Y94-Q97 HydrophobicContact CD1-CB 3.88Å; Y94-Q97 HydrophobicContact CD2-CB 4.48Å; Y94-Q97 VanDerWaalsContact CD2-NE2 3.32Å; Y94-Q97 HydrophobicContact CE1-CB 3.55Å; Y94-Q97 WeakPolarHBondContact CE1-O 3.49Å; Y94-Q97 HydrophobicContact CE2-CB 4.18Å; Y94-Q97 HydrophobicContact CG-CB 4.33Å; Y94-Q97 PolarHBondContact O-N 2.84Å; Y94-Q97 VanDerWaalsContact O-N 3.13Å; Y94-C100 VanDerWaalsContact OH-CB 3.27Å; Y94-C100 WeakPolarHBondContact OH-CB 3.45Å; Y94-A101 HydrophobicContact CE1-CB 3.88Å; Y94-R119 HydrophobicContact CD2-CB 4.28Å; Y94-R119 HydrophobicContact CD2-CG 3.68Å; Y94-R119 WeakPolarHBondContact CD2-O 3.27Å; Y94-R119 HydrophobicContact CG-CG 4.42Å; Y94-Y123 HydrophobicContact CE2-CD2 4.28Å; Y94-Y123 AromaticContact CE2-CE2 3.74Å; Y94-Y123 HydrophobicContact CE2-CE2 3.74Å; Y94-Y123 AromaticContact CZ-CE2 3.63Å; Y94-Y123 VanDerWaalsContact OH-CE2 3.3Å; Y94-Y123 WeakPolarHBondContact OH-CE2 3.33Å; Y94-Y123 PolarHBondContact OH-OH 2.83Å; Y94-Y123 VanDerWaalsContact OH-OH 3.06Å; Y94-E223 PolarHBondContact OH-OE1 2.96Å
95	D	98.9	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	130.6	-173.7	68.8	-55.1	0	0	0	113.6	E75 E98 Y289 H290 R311	E75-D95 HydrophobicContact CB-CB 4.16Å; D95-E98 VanDerWaalsContact CA-OE1 3.24Å; D95-E98 WeakPolarHBondContact CA-OE1 3.43Å; D95-Y289 HydrophobicContact CB-CD2 4.42Å; D95-Y289 PolarHBondContact O-N 3.2Å; D95-H290 IonicContact OD1-CE1 2.65Å; D95-H290 IonicContact OD1-CG 2.67Å; D95-H290 IonicContact OD1-ND1 2.81Å; D95-H290 PolarHBondContact OD1-ND1 3.27Å; D95-H290 IonicContact OD2-CE1 3.2Å; D95-H290 PolarHBondContact OD2-CE1 2.71Å; D95-H290 VanDerWaalsContact OD2-CE1 3.27Å; D95-H290 IonicContact OD2-ND1 3.01Å; D95-H290 PolarHBondContact OD2-ND1 2.92Å; D95-R311 IonicContact OD2-NH2 2.76Å
96	G	98.8	Very high	98.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	-17	-170	0	0	0	0	0	113.7	Y94 E98 M257 Y287	Y94-G96 PolarHBondContact O-N 3.42Å; G96-E98 VanDerWaalsContact C-OE2 3.26Å; G96-E98 VanDerWaalsContact CA-OE2 3.24Å; G96-E98 WeakPolarHBondContact CA-OE2 3.36Å; G96-E98 VanDerWaalsContact N-CD 3.33Å; G96-E98 PolarHBondContact N-OE1 2.94Å; G96-E98 VanDerWaalsContact N-OE1 3.13Å; G96-E98 PolarHBondContact N-OE2 2.91Å; G96-M257 WeakPolarHBondContact O-CE 3.32Å; G96-Y287 CarbonylContact C-O 3.52Å; G96-Y287 WeakPolarHBondContact CA-O 3.31Å
97	Q	98.9	Very high	98.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.			trans	-106.8	11.8	-179.5	-51	-173.9	160.8	0	0	113	Y94 A99 C100 N225 T286 Y287	Y94-Q97 HydrophobicContact CD1-CB 3.88Å; Y94-Q97 HydrophobicContact CD2-CB 4.48Å; Y94-Q97 VanDerWaalsContact CD2-NE2 3.32Å; Y94-Q97 HydrophobicContact CE1-CB 3.55Å; Y94-Q97 WeakPolarHBondContact CE1-O 3.49Å; Y94-Q97 HydrophobicContact CE2-CB 4.18Å; Y94-Q97 HydrophobicContact CG-CB 4.33Å; Y94-Q97 PolarHBondContact O-N 2.84Å; Y94-Q97 VanDerWaalsContact O-N 3.13Å; Q97-A99 PolarHBondContact O-N 3.1Å; Q97-A99 VanDerWaalsContact O-N 3.14Å; Q97-C100 VanDerWaalsContact O-CB 3.24Å; Q97-C100 WeakPolarHBondContact O-CB 3.33Å; Q97-C100 PolarHBondContact O-N 3.47Å; Q97-N225 VanDerWaalsContact OE1-CB 3.27Å; Q97-N225 PolarHBondContact OE1-ND2 3.45Å; Q97-N225 VanDerWaalsContact OE1-ND2 3.13Å; Q97-T286 WeakPolarHBondContact CA-OG1 3.37Å; Q97-T286 HydrophobicContact CB-CG2 4.34Å; Q97-T286 HydrophobicContact CG-CG2 3.87Å; Q97-Y287 WeakPolarHBondContact CG-O 3.26Å
98	E	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-33	-169.5	-61.5	84.6	171.1	0	0	113.9	M68 M71 R72 D95 G96 C100 A101 V102 P316	M68-E98 HydrophobicContact CB-CB 3.81Å; M68-E98 HydrophobicContact CB-CG 4.44Å; M68-E98 HydrophobicContact CG-CB 3.76Å; M68-E98 HydrophobicContact SD-CB 4.08Å; M71-E98 HydrophobicContact CB-CG 3.92Å; M71-E98 HydrophobicContact CE-CB 4.21Å; M71-E98 HydrophobicContact CE-CG 4.06Å; M71-E98 HydrophobicContact SD-CB 4.45Å; R72-E98 IonicContact CZ-OE1 2.59Å; R72-E98 IonicContact CZ-OE2 3.64Å; R72-E98 IonicContact NE-OE1 3.69Å; R72-E98 PolarHBondContact NE-OE1 2.98Å; R72-E98 IonicContact NE-OE2 3.27Å; R72-E98 IonicContact NH2-OE1 2.85Å; R72-E98 PolarHBondContact NH2-OE1 3.23Å; R72-E98 IonicContact NH2-OE2 3.3Å; R72-E98 PolarHBondContact NH2-OE2 3.23Å; D95-E98 VanDerWaalsContact CA-OE1 3.24Å; D95-E98 WeakPolarHBondContact CA-OE1 3.43Å; G96-E98 VanDerWaalsContact C-OE2 3.26Å; G96-E98 VanDerWaalsContact CA-OE2 3.24Å; G96-E98 WeakPolarHBondContact CA-OE2 3.36Å; G96-E98 VanDerWaalsContact N-CD 3.33Å; G96-E98 PolarHBondContact N-OE1 2.94Å; G96-E98 VanDerWaalsContact N-OE1 3.13Å; G96-E98 PolarHBondContact N-OE2 2.91Å; E98-C100 PolarHBondContact O-N 3.29Å; E98-A101 PolarHBondContact O-N 3.14Å; E98-V102 PolarHBondContact O-N 3.5Å; E98-V102 VanDerWaalsContact O-N 3.09Å; E98-P316 HydrophobicContact CB-CG 4.38Å; E98-P316 WeakPolarHBondContact OE2-CG 3.35Å
99	A	98.9	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.2	-30.1	175.4	0	0	0	0	0	112.9	M68 Q97 G103 I259 P316	M68-A99 HydrophobicContact SD-CB 4.42Å; Q97-A99 PolarHBondContact O-N 3.1Å; Q97-A99 VanDerWaalsContact O-N 3.14Å; A99-G103 WeakPolarHBondContact O-CA 3.45Å; A99-G103 PolarHBondContact O-N 2.99Å; A99-I259 HydrophobicContact CB-CB 4.22Å; A99-I259 WeakPolarHBondContact O-CD1 3.4Å; A99-P316 HydrophobicContact CB-CB 3.61Å
100	C	98.9	Very high	98.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-58.8	177	-65.2	0	0	0	0	110.5	Y94 Q97 E98 G103 I104 G256 L284 T286	Y94-C100 VanDerWaalsContact OH-CB 3.27Å; Y94-C100 WeakPolarHBondContact OH-CB 3.45Å; Q97-C100 VanDerWaalsContact O-CB 3.24Å; Q97-C100 WeakPolarHBondContact O-CB 3.33Å; Q97-C100 PolarHBondContact O-N 3.47Å; E98-C100 PolarHBondContact O-N 3.29Å; C100-G103 PolarHBondContact O-N 3.35Å; C100-I104 WeakPolarHBondContact O-CB 3.3Å; C100-I104 WeakPolarHBondContact O-CD1 3.37Å; C100-I104 VanDerWaalsContact O-CG1 3.25Å; C100-I104 WeakPolarHBondContact O-CG1 3.38Å; C100-I104 PolarHBondContact O-N 2.91Å; C100-G256 PolarHBondContact SG-O 3.46Å; C100-L284 HydrophobicContact CB-CD1 3.8Å; C100-T286 VanDerWaalsContact SG-CB 3.6Å
101	A	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-47.9	-176.9	0	0	0	0	0	112.7	M71 Y94 E98 G103 E105 Y123 T126	M71-A101 HydrophobicContact CE-CB 3.78Å; M71-A101 HydrophobicContact SD-CB 4.19Å; Y94-A101 HydrophobicContact CE1-CB 3.88Å; E98-A101 PolarHBondContact O-N 3.14Å; A101-G103 VanDerWaalsContact C-N 3.35Å; A101-G103 PolarHBondContact O-N 2.93Å; A101-E105 PolarHBondContact O-N 3.43Å; A101-E105 VanDerWaalsContact O-N 3.07Å; A101-Y123 HydrophobicContact CB-CD1 4.05Å; A101-Y123 HydrophobicContact CB-CE1 3.75Å; A101-Y123 HydrophobicContact CB-CE2 4.4Å; A101-Y123 HydrophobicContact CB-CG 4.48Å; A101-T126 HydrophobicContact CB-CG2 4.43Å
102	V	98.9	Very high	98.5	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-69.7	-34.7	-178.8	-178.7	0	0	0	0	111.2	Y64 T67 M68 M71 E98 E105 A106 T126 I259	Y64-V102 HydrophobicContact CD1-CG1 3.88Å; Y64-V102 HydrophobicContact CG-CG1 4.23Å; T67-V102 HydrophobicContact CG2-CG2 3.68Å; M68-V102 HydrophobicContact CG-CB 3.92Å; M68-V102 HydrophobicContact CG-CG1 4.28Å; M68-V102 HydrophobicContact CG-CG2 3.52Å; M71-V102 HydrophobicContact SD-CG2 3.75Å; E98-V102 PolarHBondContact O-N 3.5Å; E98-V102 VanDerWaalsContact O-N 3.09Å; V102-E105 PolarHBondContact O-N 2.85Å; V102-A106 VanDerWaalsContact O-CB 3.24Å; V102-A106 WeakPolarHBondContact O-CB 3.5Å; V102-A106 PolarHBondContact O-N 2.81Å; V102-T126 HydrophobicContact CG2-CG2 4.21Å; V102-I259 VanDerWaalsContact C-CD1 3.49Å; V102-I259 HydrophobicContact CB-CD1 3.71Å; V102-I259 HydrophobicContact CG1-CD1 3.76Å
103	G	98.9	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-70.5	-39.9	-179.6	0	0	0	0	0	112.2	A99 C100 A101 S107 R263	A99-G103 WeakPolarHBondContact O-CA 3.45Å; A99-G103 PolarHBondContact O-N 2.99Å; C100-G103 PolarHBondContact O-N 3.35Å; A101-G103 VanDerWaalsContact C-N 3.35Å; A101-G103 PolarHBondContact O-N 2.93Å; G103-S107 PolarHBondContact O-OG 3.46Å; G103-R263 WeakPolarHBondContact O-CA 3.37Å
104	I	98.9	Very high	98.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-52.5	173.1	-70.5	164	0	0	0	109.9	C100 A106 S107 I108 L114 Y123 V191 L193 I221 V262 T266 L284	C100-I104 WeakPolarHBondContact O-CB 3.3Å; C100-I104 WeakPolarHBondContact O-CD1 3.37Å; C100-I104 VanDerWaalsContact O-CG1 3.25Å; C100-I104 WeakPolarHBondContact O-CG1 3.38Å; C100-I104 PolarHBondContact O-N 2.91Å; I104-A106 VanDerWaalsContact C-N 3.25Å; I104-A106 PolarHBondContact O-N 2.71Å; I104-S107 PolarHBondContact O-N 3.32Å; I104-I108 HydrophobicContact CG2-CD1 4.08Å; I104-I108 PolarHBondContact O-N 3.03Å; I104-L114 HydrophobicContact CG2-CD1 3.98Å; I104-Y123 HydrophobicContact CD1-CE1 4.17Å; I104-Y123 WeakPolarHBondContact CD1-OH 3.31Å; I104-V191 HydrophobicContact CG2-CG1 4.09Å; I104-V191 HydrophobicContact CG2-CG2 4.28Å; I104-L193 HydrophobicContact CD1-CD2 3.9Å; I104-I221 HydrophobicContact CD1-CD1 3.54Å; I104-I221 HydrophobicContact CG1-CD1 4Å; I104-V262 HydrophobicContact CG1-CG1 4.03Å; I104-T266 HydrophobicContact CB-CG2 4.48Å; I104-T266 HydrophobicContact CG2-CG2 4.34Å; I104-L284 HydrophobicContact CD1-CD1 3.97Å; I104-L284 HydrophobicContact CG1-CD1 4.5Å
105	E	98.7	Very high	98.5	Very high	33 Å²	33	19.4 Å²	19.4	15%	0.154	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-34.6	-177.5	-165.4	63.5	-153.6	0	0	112.2	A101 V102 S107 L110 R127	A101-E105 PolarHBondContact O-N 3.43Å; A101-E105 VanDerWaalsContact O-N 3.07Å; V102-E105 PolarHBondContact O-N 2.85Å; E105-S107 PolarHBondContact O-N 3.26Å; E105-L110 WeakPolarHBondContact OE1-CD2 3.26Å; E105-R127 IonicContact OE1-NH1 2.68Å; E105-R127 PolarHBondContact OE1-NH1 2.77Å; E105-R127 WeakPolarHBondContact OE2-CD 3.21Å; E105-R127 IonicContact OE2-NH1 3.28Å
106	A	98.6	Very high	98.5	Very high	32 Å²	32	19.6 Å²	19.6	26%	0.264	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10	177	0	0	0	0	0	114.6	Y64 V102 I104 R263	Y64-A106 HydrophobicContact CD1-CB 4.5Å; Y64-A106 HydrophobicContact CE1-CB 3.61Å; V102-A106 VanDerWaalsContact O-CB 3.24Å; V102-A106 WeakPolarHBondContact O-CB 3.5Å; V102-A106 PolarHBondContact O-N 2.81Å; I104-A106 VanDerWaalsContact C-N 3.25Å; I104-A106 PolarHBondContact O-N 2.71Å; A106-R263 HydrophobicContact CB-CG 3.97Å
107	S	98.3	Very high	98.5	Very high	14 Å²	14	20.4 Å²	20.4	10%	0.098	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-0.4	-173.8	-56.6	0	0	0	0	114.8	G103 I104 E105 R263	G103-S107 PolarHBondContact O-OG 3.46Å; I104-S107 PolarHBondContact O-N 3.32Å; E105-S107 PolarHBondContact O-N 3.26Å; S107-R263 WeakPolarHBondContact CB-O 3.3Å; S107-R263 WeakPolarHBondContact OG-CA 3.37Å; S107-R263 WeakPolarHBondContact OG-CG 3.08Å; S107-R263 PolarHBondContact OG-O 3.47Å
108	I	98.4	Very high	98.5	Very high	13 Å²	13	22.3 Å²	22.3	7%	0.067	12%	0.122	C	C	.	.	S	Bend	trans	-115.1	164.3	172.3	67.6	174.5	0	0	0	109.9	I104 D112 L114 L189 V191 T266	I104-I108 HydrophobicContact CG2-CD1 4.08Å; I104-I108 PolarHBondContact O-N 3.03Å; I108-D112 HydrophobicContact CB-CB 4.15Å; I108-L114 HydrophobicContact CD1-CD1 4.26Å; I108-L189 HydrophobicContact CG2-CD1 4.48Å; I108-V191 HydrophobicContact CD1-CG2 4.12Å; I108-V191 HydrophobicContact CG2-CG2 3.99Å; I108-T266 HydrophobicContact CG2-CG2 3.91Å
109	N	97.3	Very high	98.5	Very high	92 Å²	92	23 Å²	23	49%	0.492	13%	0.125	S	C	.	.			trans	-91.6	156.5	174.6	-57	-57.8	0	0	0	110.2	N111 D112 R127 R274	N109-N111 PolarHBondContact O-N 2.95Å; N109-N111 VanDerWaalsContact O-N 3.09Å; N109-D112 WeakPolarHBondContact CB-OD2 3.35Å; N109-D112 PolarHBondContact N-OD2 3.17Å; N109-D112 PolarHBondContact ND2-OD2 2.86Å; N109-D112 WeakPolarHBondContact O-CB 3.49Å; N109-D112 PolarHBondContact O-N 2.85Å; N109-R127 PolarHBondContact O-NH1 3.04Å; N109-R274 PolarHBondContact ND2-NH2 3.49Å
110	L	96.1	Very high	98.5	Very high	111 Å²	111	23 Å²	23	58%	0.581	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.5	170.8	-69.1	174.9	0	0	0	113.2	E105 R127 N159	E105-L110 WeakPolarHBondContact OE1-CD2 3.26Å; L110-R127 PolarHBondContact O-NH2 2.88Å; L110-N159 PolarHBondContact O-ND2 2.98Å
111	N	97.5	Very high	98.5	Very high	91 Å²	91	23 Å²	23	49%	0.487	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-19.5	172.6	-68.7	-20.2	0	0	0	113.6	N109 H113 N159 E188	N109-N111 PolarHBondContact O-N 2.95Å; N109-N111 VanDerWaalsContact O-N 3.09Å; N111-H113 PolarHBondContact O-NE2 3.43Å; N111-N159 WeakPolarHBondContact CA-ND2 3.45Å; N111-N159 PolarHBondContact O-ND2 2.88Å; N111-E188 HydrophobicContact CB-CG 4.45Å
112	D	98.8	Very high	98.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	13%	0.125	C	C	.	.	S	Bend	trans	-68.9	163.4	168.3	-65.5	-50.2	0	0	0	109.8	I108 N109 R127 N159 E188 L189 R274	I108-D112 HydrophobicContact CB-CB 4.15Å; N109-D112 WeakPolarHBondContact CB-OD2 3.35Å; N109-D112 PolarHBondContact N-OD2 3.17Å; N109-D112 PolarHBondContact ND2-OD2 2.86Å; N109-D112 WeakPolarHBondContact O-CB 3.49Å; N109-D112 PolarHBondContact O-N 2.85Å; D112-R127 PolarHBondContact O-NH2 2.75Å; D112-N159 WeakPolarHBondContact O-CB 3.43Å; D112-E188 WeakPolarHBondContact OD1-CA 3.39Å; D112-L189 HydrophobicContact CB-CD1 4.18Å; D112-L189 HydrophobicContact CB-CG 4.32Å; D112-L189 PolarHBondContact OD1-N 3.13Å; D112-R274 IonicContact OD1-NH2 3.69Å; D112-R274 IonicContact OD2-CZ 2.71Å; D112-R274 IonicContact OD2-NH2 3.84Å; D112-R274 PolarHBondContact OD2-NH2 3.06Å
113	H	98.9	Very high	98.5	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.056	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.3	-168.7	-61.9	-80.9	0	0	0	110.8	N111 N159 Y161 V177 C181 E188 L189 C190 V191	N111-H113 PolarHBondContact O-NE2 3.43Å; H113-N159 PolarHBondContact CE1-OD1 3.02Å; H113-Y161 HydrophobicContact CB-CD2 4.43Å; H113-Y161 HydrophobicContact CB-CE2 3.69Å; H113-Y161 PolarHBondContact CE1-OH 3.46Å; H113-Y161 VanDerWaalsContact CE1-OH 3.32Å; H113-Y161 AromaticContact CG-CE2 3.86Å; H113-Y161 AromaticContact ND1-CE2 3.33Å; H113-Y161 VanDerWaalsContact ND1-CE2 3.33Å; H113-Y161 WeakPolarHBondContact ND1-CE2 3.43Å; H113-Y161 AromaticContact ND1-CZ 3.47Å; H113-Y161 PolarHBondContact ND1-OH 3.47Å; H113-V177 HydrophobicContact CB-CG1 3.51Å; H113-C181 PolarHBondContact CD2-SG 3.06Å; H113-E188 IonicContact CD2-OE2 3.91Å; H113-E188 IonicContact NE2-OE2 3.89Å; H113-E188 PolarHBondContact NE2-OE2 3.4Å; H113-L189 WeakPolarHBondContact CB-O 3.38Å; H113-L189 PolarHBondContact CD2-O 2.91Å; H113-L189 PolarHBondContact N-O 3.5Å; H113-C190 HydrophobicContact CB-CB 4.06Å; H113-C190 CarbonylContact O-C 3.57Å; H113-C190 VanDerWaalsContact O-CA 3.31Å; H113-C190 WeakPolarHBondContact O-CA 3.11Å; H113-V191 PolarHBondContact O-N 3.38Å
114	L	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.4	178	-167.6	150.1	0	0	0	111.4	I104 I108 Y123 N159 F160 Y161 V191 L193	I104-L114 HydrophobicContact CG2-CD1 3.98Å; I108-L114 HydrophobicContact CD1-CD1 4.26Å; L114-Y123 HydrophobicContact CD1-CD1 3.72Å; L114-Y123 HydrophobicContact CD1-CE1 3.92Å; L114-Y123 HydrophobicContact CD2-CD1 3.68Å; L114-Y123 HydrophobicContact CD2-CE1 4.33Å; L114-Y123 HydrophobicContact CD2-CG 3.97Å; L114-Y123 HydrophobicContact CG-CD1 4.38Å; L114-N159 PolarHBondContact N-O 3.07Å; L114-F160 HydrophobicContact CB-CD2 4.34Å; L114-F160 HydrophobicContact CD2-CD2 3.55Å; L114-F160 HydrophobicContact CD2-CE2 3.49Å; L114-F160 VanDerWaalsContact CD2-CE2 3.49Å; L114-F160 CarbonylContact O-C 3.54Å; L114-F160 WeakPolarHBondContact O-CA 3.23Å; L114-F160 WeakPolarHBondContact O-CD2 3.33Å; L114-Y161 PolarHBondContact O-N 2.92Å; L114-V191 WeakPolarHBondContact CA-O 3.35Å; L114-V191 HydrophobicContact CD1-CB 4.3Å; L114-V191 HydrophobicContact CD1-CG1 4.39Å; L114-V191 HydrophobicContact CG-CB 4.18Å; L114-V191 HydrophobicContact CG-CG1 4.48Å; L114-L193 HydrophobicContact CD1-CD1 4.14Å; L114-L193 HydrophobicContact CD2-CD1 3.68Å; L114-L193 HydrophobicContact CG-CD1 3.73Å
115	I	98.9	Very high	98.5	Very high	3 Å²	3	24 Å²	24	2%	0.015	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.4	173.7	-164.6	175.4	0	0	0	111	N164 Q170 L173 V191 C192 L193	I115-N164 WeakPolarHBondContact CG1-ND2 3.46Å; I115-Q170 HydrophobicContact CD1-CB 3.92Å; I115-Q170 HydrophobicContact CG1-CB 4.03Å; I115-L173 HydrophobicContact CD1-CB 3.72Å; I115-L173 HydrophobicContact CD1-CD1 4.27Å; I115-V191 PolarHBondContact N-O 3.26Å; I115-C192 HydrophobicContact CG2-CB 4.17Å; I115-L193 VanDerWaalsContact O-CD1 3.3Å; I115-L193 WeakPolarHBondContact O-CD1 3.23Å; I115-L193 PolarHBondContact O-N 2.92Å
116	T	98.9	Very high	98.5	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	178.8	-179.6	-167.9	0	0	0	0	112.3	A120 Y123 F160 G162 N164	T116-A120 HydrophobicContact CG2-CB 3.89Å; T116-Y123 HydrophobicContact CG2-CD2 3.9Å; T116-Y123 HydrophobicContact CG2-CG 4.31Å; T116-F160 HydrophobicContact CG2-CE2 3.97Å; T116-F160 HydrophobicContact CG2-CZ 4.09Å; T116-G162 PolarHBondContact N-O 2.96Å; T116-G162 VanDerWaalsContact O-O 3.1Å; T116-N164 WeakPolarHBondContact O-CB 3.36Å; T116-N164 PolarHBondContact O-N 2.91Å; T116-N164 PolarHBondContact O-ND2 3.09Å
117	A	98.8	Very high	98.5	Very high	17 Å²	17	22.1 Å²	22.1	14%	0.14	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-161.5	173.7	0	0	0	0	0	111.3	R119 G163 N164	A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 2.89Å; A117-G163 WeakPolarHBondContact O-CA 3.36Å; A117-N164 CarbonylContact C-O 3.57Å; A117-N164 WeakPolarHBondContact CA-O 3.46Å; A117-N164 PolarHBondContact O-N 3.05Å
118	Y	98.8	Very high	98.4	Very high	40 Å²	40	24.3 Å²	24.3	16%	0.157	14%	0.141	C	C	.	.	S	Bend	trans	-73.8	-10.7	-174.2	46.8	-103.2	0	0	0	116.1	H92 A120 M153 N164 V167 H292	H92-Y118 HydrophobicContact CB-CD2 4Å; H92-Y118 HydrophobicContact CB-CE2 4.5Å; H92-Y118 AromaticContact CD2-CD2 3.49Å; H92-Y118 VanDerWaalsContact CD2-CD2 3.49Å; H92-Y118 WeakPolarHBondContact CD2-CD2 3.25Å; H92-Y118 AromaticContact CD2-CE2 3.47Å; H92-Y118 VanDerWaalsContact CD2-CE2 3.47Å; H92-Y118 WeakPolarHBondContact CD2-CE2 3.33Å; H92-Y118 AromaticContact CE1-CD2 3.45Å; H92-Y118 VanDerWaalsContact CE1-CD2 3.45Å; H92-Y118 WeakPolarHBondContact CE1-CD2 3.41Å; H92-Y118 AromaticContact CE1-CE2 3.99Å; H92-Y118 AromaticContact CE1-CG 3.88Å; H92-Y118 AromaticContact CG-CD2 3.4Å; H92-Y118 AromaticContact CG-CE2 3.86Å; H92-Y118 AromaticContact ND1-CD2 3.38Å; H92-Y118 WeakPolarHBondContact ND1-CD2 3.16Å; H92-Y118 AromaticContact ND1-CG 3.97Å; H92-Y118 AromaticContact NE2-CD2 3.58Å; H92-Y118 AromaticContact NE2-CE2 3.62Å; Y118-A120 PolarHBondContact O-N 3.12Å; Y118-A120 VanDerWaalsContact O-N 3.09Å; Y118-M153 HydrophobicContact CG-SD 4.42Å; Y118-N164 PolarHBondContact N-O 3.16Å; Y118-N164 VanDerWaalsContact N-O 3.07Å; Y118-V167 HydrophobicContact CE1-CG2 4.12Å; Y118-H292 AromaticContact CE2-CE1 3.95Å; Y118-H292 AromaticContact CZ-CE1 3.85Å; Y118-H292 PolarHBondContact OH-CE1 3.13Å
119	R	98.8	Very high	98.3	Very high	16 Å²	16	24 Å²	24	6%	0.06	14%	0.141	C	C	.	.			trans	-87.7	64.1	178.4	-159.5	-167.5	-70.1	-70.8	-13.2	109.9	H92 L93 Y94 A117 H292	H92-R119 HydrophobicContact CB-CB 4.17Å; H92-R119 HydrophobicContact CB-CG 4Å; H92-R119 WeakPolarHBondContact O-CG 3.26Å; L93-R119 PolarHBondContact O-NH1 2.89Å; Y94-R119 HydrophobicContact CD2-CB 4.28Å; Y94-R119 HydrophobicContact CD2-CG 3.68Å; Y94-R119 WeakPolarHBondContact CD2-O 3.27Å; Y94-R119 HydrophobicContact CG-CG 4.42Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 2.89Å; R119-H292 PolarHBondContact NH1-O 2.74Å; R119-H292 PolarHBondContact NH2-O 3.1Å
120	A	98.8	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.136	C	C	.	.			trans	-111.3	-5.5	-157.3	0	0	0	0	0	115.8	T116 Y118 G122 Y123 T124 F160	T116-A120 HydrophobicContact CG2-CB 3.89Å; Y118-A120 PolarHBondContact O-N 3.12Å; Y118-A120 VanDerWaalsContact O-N 3.09Å; A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G122 PolarHBondContact O-N 2.86Å; A120-Y123 PolarHBondContact O-N 3.15Å; A120-T124 PolarHBondContact O-N 3.13Å; A120-T124 PolarHBondContact O-OG1 3.2Å; A120-T124 VanDerWaalsContact O-OG1 3.12Å; A120-F160 HydrophobicContact CB-CZ 4.17Å
121	H	98.9	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.3	-41.1	-170.2	-43	149.8	0	0	0	112.5	M74 E75 T124 L125 I134 S152	M74-H121 HydrophobicContact CE-CB 3.77Å; E75-H121 WeakPolarHBondContact OE1-CB 3.27Å; E75-H121 IonicContact OE1-CG 3.25Å; E75-H121 IonicContact OE1-ND1 3.91Å; E75-H121 PolarHBondContact OE1-ND1 2.82Å; E75-H121 IonicContact OE2-CE1 3.62Å; E75-H121 IonicContact OE2-CG 3.95Å; E75-H121 IonicContact OE2-ND1 3.34Å; E75-H121 PolarHBondContact OE2-ND1 3.25Å; H121-T124 PolarHBondContact O-N 2.91Å; H121-L125 PolarHBondContact O-N 3.13Å; H121-I134 HydrophobicContact CB-CG2 4.32Å; H121-S152 PolarHBondContact NE2-OG 3.46Å
122	G	98.7	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-42	174	0	0	0	0	0	114.4	A120 L125 T126	A120-G122 VanDerWaalsContact C-N 3.28Å; A120-G122 PolarHBondContact O-N 2.86Å; G122-L125 PolarHBondContact O-N 3.27Å; G122-T126 WeakPolarHBondContact O-CG2 3.36Å; G122-T126 PolarHBondContact O-N 3.03Å; G122-T126 PolarHBondContact O-OG1 3.27Å
123	Y	98.8	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-70.2	-38.2	175.8	-72.7	-68.8	0	0	0	112	Y94 A101 I104 L114 T116 A120 L125 T126 R127 L193 E223	Y94-Y123 HydrophobicContact CE2-CD2 4.28Å; Y94-Y123 AromaticContact CE2-CE2 3.74Å; Y94-Y123 HydrophobicContact CE2-CE2 3.74Å; Y94-Y123 AromaticContact CZ-CE2 3.63Å; Y94-Y123 VanDerWaalsContact OH-CE2 3.3Å; Y94-Y123 WeakPolarHBondContact OH-CE2 3.33Å; Y94-Y123 PolarHBondContact OH-OH 2.83Å; Y94-Y123 VanDerWaalsContact OH-OH 3.06Å; A101-Y123 HydrophobicContact CB-CD1 4.05Å; A101-Y123 HydrophobicContact CB-CE1 3.75Å; A101-Y123 HydrophobicContact CB-CE2 4.4Å; A101-Y123 HydrophobicContact CB-CG 4.48Å; I104-Y123 HydrophobicContact CD1-CE1 4.17Å; I104-Y123 WeakPolarHBondContact CD1-OH 3.31Å; L114-Y123 HydrophobicContact CD1-CD1 3.72Å; L114-Y123 HydrophobicContact CD1-CE1 3.92Å; L114-Y123 HydrophobicContact CD2-CD1 3.68Å; L114-Y123 HydrophobicContact CD2-CE1 4.33Å; L114-Y123 HydrophobicContact CD2-CG 3.97Å; L114-Y123 HydrophobicContact CG-CD1 4.38Å; T116-Y123 HydrophobicContact CG2-CD2 3.9Å; T116-Y123 HydrophobicContact CG2-CG 4.31Å; A120-Y123 PolarHBondContact O-N 3.15Å; Y123-L125 VanDerWaalsContact C-N 3.28Å; Y123-L125 PolarHBondContact O-N 3.48Å; Y123-T126 WeakPolarHBondContact CA-OG1 3.49Å; Y123-T126 PolarHBondContact O-N 2.79Å; Y123-T126 PolarHBondContact O-OG1 2.83Å; Y123-R127 WeakPolarHBondContact O-CB 3.48Å; Y123-R127 WeakPolarHBondContact O-CG 3.08Å; Y123-R127 PolarHBondContact O-N 3.01Å; Y123-L193 HydrophobicContact CE1-CD1 4.4Å; Y123-L193 HydrophobicContact CE1-CD2 4.11Å; Y123-L193 HydrophobicContact CE2-CD2 3.89Å; Y123-L193 VanDerWaalsContact CZ-CD2 3.41Å; Y123-L193 WeakPolarHBondContact OH-CD2 3.28Å; Y123-E223 WeakPolarHBondContact CE2-OE1 3.44Å; Y123-E223 PolarHBondContact OH-OE1 2.94Å
124	T	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-43.1	172.8	-51.8	0	0	0	0	111	A120 H121 G129 I134 I145 M155 F160	A120-T124 PolarHBondContact O-N 3.13Å; A120-T124 PolarHBondContact O-OG1 3.2Å; A120-T124 VanDerWaalsContact O-OG1 3.12Å; H121-T124 PolarHBondContact O-N 2.91Å; T124-G129 WeakPolarHBondContact O-CA 3.48Å; T124-G129 PolarHBondContact O-N 3.32Å; T124-I134 HydrophobicContact CG2-CD1 3.85Å; T124-I134 HydrophobicContact CG2-CG1 3.66Å; T124-I145 HydrophobicContact CG2-CD1 3.76Å; T124-M155 HydrophobicContact CG2-CB 3.94Å; T124-M155 HydrophobicContact CG2-SD 4.09Å; T124-F160 WeakPolarHBondContact OG1-CE1 3.4Å
125	L	98.8	Very high	98.6	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.136	12%	0.12	C	C	.	.	H	α-helix	trans	-65.3	-53.6	178.1	-179.8	69	0	0	0	111.7	T70 M71 M74 H121 G122 Y123 R127 G128 V131 I134	T70-L125 HydrophobicContact CG2-CD2 3.79Å; M71-L125 HydrophobicContact CG-CD2 3.64Å; M74-L125 HydrophobicContact CE-CB 4.39Å; M74-L125 HydrophobicContact CE-CD2 4.46Å; H121-L125 PolarHBondContact O-N 3.13Å; G122-L125 PolarHBondContact O-N 3.27Å; Y123-L125 VanDerWaalsContact C-N 3.28Å; Y123-L125 PolarHBondContact O-N 3.48Å; L125-R127 PolarHBondContact O-N 3.12Å; L125-G128 PolarHBondContact O-N 3.31Å; L125-V131 HydrophobicContact CD1-CG2 3.9Å; L125-I134 HydrophobicContact CB-CD1 3.92Å
126	T	98.6	Very high	98.6	Very high	18 Å²	18	20.5 Å²	20.5	11%	0.11	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-28.1	-177.2	48.3	0	0	0	0	112.8	T67 M71 A101 V102 G122 Y123 G128	T67-T126 HydrophobicContact CG2-CG2 4.05Å; M71-T126 HydrophobicContact SD-CG2 4.23Å; A101-T126 HydrophobicContact CB-CG2 4.43Å; V102-T126 HydrophobicContact CG2-CG2 4.21Å; G122-T126 WeakPolarHBondContact O-CG2 3.36Å; G122-T126 PolarHBondContact O-N 3.03Å; G122-T126 PolarHBondContact O-OG1 3.27Å; Y123-T126 WeakPolarHBondContact CA-OG1 3.49Å; Y123-T126 PolarHBondContact O-N 2.79Å; Y123-T126 PolarHBondContact O-OG1 2.83Å; T126-G128 VanDerWaalsContact C-N 3.28Å; T126-G128 PolarHBondContact O-N 3.43Å
127	R	98.5	Very high	98.6	Very high	8 Å²	8	20.4 Å²	20.4	3%	0.03	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	11.4	175.8	-62.9	-62.8	-60.7	173.7	-7.4	114.7	E105 N109 L110 D112 Y123 L125 C157 N159 F160	E105-R127 IonicContact OE1-NH1 2.68Å; E105-R127 PolarHBondContact OE1-NH1 2.77Å; E105-R127 WeakPolarHBondContact OE2-CD 3.21Å; E105-R127 IonicContact OE2-NH1 3.28Å; N109-R127 PolarHBondContact O-NH1 3.04Å; L110-R127 PolarHBondContact O-NH2 2.88Å; D112-R127 PolarHBondContact O-NH2 2.75Å; Y123-R127 WeakPolarHBondContact O-CB 3.48Å; Y123-R127 WeakPolarHBondContact O-CG 3.08Å; Y123-R127 PolarHBondContact O-N 3.01Å; L125-R127 PolarHBondContact O-N 3.12Å; R127-C157 VanDerWaalsContact CB-SG 3.59Å; R127-C157 PolarHBondContact O-SG 3.18Å; R127-N159 PolarHBondContact NH2-O 2.85Å; R127-F160 HydrophobicContact CB-CB 3.74Å; R127-F160 HydrophobicContact CB-CG 4.07Å; R127-F160 HydrophobicContact CG-CB 3.96Å; R127-F160 HydrophobicContact CG-CD2 4.1Å; R127-F160 HydrophobicContact CG-CG 4.09Å
128	G	95.4	Very high	98.6	Very high	59 Å²	59	20 Å²	20	61%	0.608	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	100	7.2	168.7	0	0	0	0	0	115.8	L125 T126	L125-G128 PolarHBondContact O-N 3.31Å; T126-G128 VanDerWaalsContact C-N 3.28Å; T126-G128 PolarHBondContact O-N 3.43Å
129	G	97.8	Very high	98.6	Very high	6 Å²	6	18.6 Å²	18.6	6%	0.062	11%	0.109	C	C	.	.			trans	-70.3	150.5	162.5	0	0	0	0	0	110.7	T124	T124-G129 WeakPolarHBondContact O-CA 3.48Å; T124-G129 PolarHBondContact O-N 3.32Å
130	T	98.5	Very high	98.6	Very high	64 Å²	64	19.1 Å²	19.1	39%	0.393	12%	0.119	S	C	.	.			trans	-93.7	153.6	177	65.2	0	0	0	0	111.7	K132 E133 I134	T130-K132 PolarHBondContact O-N 3.36Å; T130-E133 WeakPolarHBondContact CB-OE2 3.46Å; T130-E133 WeakPolarHBondContact CG2-OE2 3.42Å; T130-E133 PolarHBondContact N-OE2 3.36Å; T130-E133 PolarHBondContact O-N 2.9Å; T130-E133 VanDerWaalsContact OG1-CD 3.24Å; T130-E133 VanDerWaalsContact OG1-CG 3.22Å; T130-E133 WeakPolarHBondContact OG1-CG 3.33Å; T130-E133 PolarHBondContact OG1-N 3.46Å; T130-E133 VanDerWaalsContact OG1-N 3.16Å; T130-E133 PolarHBondContact OG1-OE2 3.39Å; T130-I134 VanDerWaalsContact O-CG1 3.3Å; T130-I134 WeakPolarHBondContact O-CG1 3.5Å; T130-I134 PolarHBondContact O-N 2.91Å
131	V	98.8	Very high	98.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-52.9	-40.1	171.4	-179.8	0	0	0	0	110.5	T70 M74 L125 I134 M135 I346 A349	T70-V131 HydrophobicContact CG2-CG2 3.51Å; M74-V131 HydrophobicContact CG-CG1 4.29Å; M74-V131 HydrophobicContact SD-CG1 4.29Å; M74-V131 HydrophobicContact SD-CG2 4.41Å; L125-V131 HydrophobicContact CD1-CG2 3.9Å; V131-I134 PolarHBondContact O-N 3.29Å; V131-M135 HydrophobicContact CG1-CG 3.89Å; V131-M135 VanDerWaalsContact O-CB 3.25Å; V131-M135 WeakPolarHBondContact O-CB 3.44Å; V131-M135 WeakPolarHBondContact O-CG 3.19Å; V131-M135 PolarHBondContact O-N 3Å; V131-I346 HydrophobicContact CB-CD1 4.29Å; V131-I346 HydrophobicContact CG1-CD1 3.44Å; V131-I346 VanDerWaalsContact CG1-CD1 3.44Å; V131-I346 HydrophobicContact CG2-CD1 3.9Å; V131-A349 HydrophobicContact CB-CB 4.16Å; V131-A349 HydrophobicContact CG1-CB 3.53Å
132	K	98.8	Very high	98.5	Very high	101 Å²	101	28 Å²	28	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-58.4	-50.4	179	-173.1	-177.8	178.3	-176.4	0	112.4	T130 A136 A349 F352	T130-K132 PolarHBondContact O-N 3.36Å; K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.38Å; K132-A136 PolarHBondContact O-N 2.82Å; K132-A349 HydrophobicContact CB-CB 4.41Å; K132-F352 HydrophobicContact CD-CD1 3.95Å; K132-F352 HydrophobicContact CD-CE1 4.18Å; K132-F352 HydrophobicContact CD-CG 4.16Å; K132-F352 VanDerWaalsContact CE-CZ 3.41Å; K132-F352 HydrophobicContact CG-CB 4.34Å; K132-F352 HydrophobicContact CG-CD1 3.33Å; K132-F352 HydrophobicContact CG-CE1 3.76Å; K132-F352 HydrophobicContact CG-CG 3.9Å
133	E	98.8	Very high	98.5	Very high	72 Å²	72	29.2 Å²	29.2	34%	0.336	17%	0.165	S	C	.	.	H	α-helix	trans	-69.1	-39	179.9	-68	160.2	142.1	0	0	112	T130 E137 G144 I145	T130-E133 WeakPolarHBondContact CB-OE2 3.46Å; T130-E133 WeakPolarHBondContact CG2-OE2 3.42Å; T130-E133 PolarHBondContact N-OE2 3.36Å; T130-E133 PolarHBondContact O-N 2.9Å; T130-E133 VanDerWaalsContact OG1-CD 3.24Å; T130-E133 VanDerWaalsContact OG1-CG 3.22Å; T130-E133 WeakPolarHBondContact OG1-CG 3.33Å; T130-E133 PolarHBondContact OG1-N 3.46Å; T130-E133 VanDerWaalsContact OG1-N 3.16Å; T130-E133 PolarHBondContact OG1-OE2 3.39Å; E133-E137 WeakPolarHBondContact O-CB 3.33Å; E133-E137 PolarHBondContact O-N 3.27Å; E133-G144 WeakPolarHBondContact O-CA 3.36Å; E133-I145 HydrophobicContact CB-CB 4.05Å; E133-I145 PolarHBondContact O-N 3.33Å
134	I	98.9	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-50.4	176.7	-66.9	165.4	0	0	0	109.9	M74 H121 T124 L125 T130 V131 A136 E137 L138 M155	M74-I134 HydrophobicContact CE-CD1 4.28Å; M74-I134 HydrophobicContact CE-CG2 4.42Å; M74-I134 HydrophobicContact SD-CB 4.12Å; M74-I134 HydrophobicContact SD-CD1 3.91Å; M74-I134 HydrophobicContact SD-CG2 3.71Å; H121-I134 HydrophobicContact CB-CG2 4.32Å; T124-I134 HydrophobicContact CG2-CD1 3.85Å; T124-I134 HydrophobicContact CG2-CG1 3.66Å; L125-I134 HydrophobicContact CB-CD1 3.92Å; T130-I134 VanDerWaalsContact O-CG1 3.3Å; T130-I134 WeakPolarHBondContact O-CG1 3.5Å; T130-I134 PolarHBondContact O-N 2.91Å; V131-I134 PolarHBondContact O-N 3.29Å; I134-A136 PolarHBondContact O-N 2.76Å; I134-E137 PolarHBondContact O-N 2.97Å; I134-L138 HydrophobicContact CG2-CD1 4.3Å; I134-L138 WeakPolarHBondContact O-CG 3.49Å; I134-L138 PolarHBondContact O-N 2.87Å; I134-M155 HydrophobicContact CB-SD 4.38Å; I134-M155 HydrophobicContact CG1-SD 4.18Å; I134-M155 HydrophobicContact CG2-CE 4.05Å; I134-M155 HydrophobicContact CG2-SD 3.96Å
135	M	98.9	Very high	98.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-41.4	-179.4	-69.2	-62.3	-68.7	0	0	111.6	M74 K77 L81 V131 E137 L138 T139 A349 A350 A353	M74-M135 HydrophobicContact CG-SD 3.97Å; K77-M135 HydrophobicContact CB-CE 4.07Å; K77-M135 HydrophobicContact CG-CE 3.42Å; K77-M135 VanDerWaalsContact CG-CE 3.42Å; L81-M135 HydrophobicContact CD1-CE 3.31Å; L81-M135 HydrophobicContact CG-CE 4.42Å; V131-M135 HydrophobicContact CG1-CG 3.89Å; V131-M135 VanDerWaalsContact O-CB 3.25Å; V131-M135 WeakPolarHBondContact O-CB 3.44Å; V131-M135 WeakPolarHBondContact O-CG 3.19Å; V131-M135 PolarHBondContact O-N 3Å; M135-E137 VanDerWaalsContact C-N 3.32Å; M135-E137 PolarHBondContact O-N 2.92Å; M135-L138 PolarHBondContact O-N 2.75Å; M135-L138 HydrophobicContact SD-CD1 4.13Å; M135-T139 WeakPolarHBondContact O-CG2 3.29Å; M135-T139 PolarHBondContact O-N 3.49Å; M135-T139 PolarHBondContact O-OG1 3.08Å; M135-A349 HydrophobicContact CG-CB 4.44Å; M135-A350 HydrophobicContact CE-CB 4.34Å; M135-A353 HydrophobicContact CB-CB 3.76Å
136	A	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-34	175.8	0	0	0	0	0	112.6	K132 I134 T139 G140 R141 F352 A353	K132-A136 VanDerWaalsContact O-CB 3.28Å; K132-A136 WeakPolarHBondContact O-CB 3.38Å; K132-A136 PolarHBondContact O-N 2.82Å; I134-A136 PolarHBondContact O-N 2.76Å; A136-T139 PolarHBondContact O-N 3.3Å; A136-T139 PolarHBondContact O-OG1 3.35Å; A136-G140 PolarHBondContact O-N 3.1Å; A136-G140 VanDerWaalsContact O-N 3.15Å; A136-R141 HydrophobicContact CB-CB 4.47Å; A136-R141 PolarHBondContact O-N 2.8Å; A136-F352 HydrophobicContact CB-CD1 4.28Å; A136-F352 HydrophobicContact CB-CE1 3.93Å; A136-A353 HydrophobicContact CB-CB 4.38Å
137	E	98.9	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.3	-41.6	174	-171.5	61.5	-146.8	0	0	111.5	E133 I134 M135 T139 G140 G144 I145 A146 K147 G148 K149 G150 G151 M155	E133-E137 WeakPolarHBondContact O-CB 3.33Å; E133-E137 PolarHBondContact O-N 3.27Å; I134-E137 PolarHBondContact O-N 2.97Å; M135-E137 VanDerWaalsContact C-N 3.32Å; M135-E137 PolarHBondContact O-N 2.92Å; E137-T139 VanDerWaalsContact C-N 3.28Å; E137-T139 PolarHBondContact O-N 3.28Å; E137-G140 PolarHBondContact O-N 3.04Å; E137-G140 VanDerWaalsContact O-N 3.08Å; E137-G144 VanDerWaalsContact OE2-C 3.31Å; E137-G144 WeakPolarHBondContact OE2-CA 3.25Å; E137-I145 HydrophobicContact CB-CG2 4.13Å; E137-I145 HydrophobicContact CG-CG2 4.09Å; E137-I145 PolarHBondContact OE2-N 3.36Å; E137-A146 VanDerWaalsContact OE2-C 3.23Å; E137-A146 VanDerWaalsContact OE2-CA 3.32Å; E137-A146 WeakPolarHBondContact OE2-CA 3.44Å; E137-A146 PolarHBondContact OE2-N 3.3Å; E137-K147 PolarHBondContact OE2-N 3.02Å; E137-G148 WeakPolarHBondContact OE1-CA 3.41Å; E137-G148 PolarHBondContact OE1-N 3.45Å; E137-G148 PolarHBondContact OE2-N 3.35Å; E137-K149 PolarHBondContact OE1-N 3.34Å; E137-G150 WeakPolarHBondContact OE1-CA 3.45Å; E137-G150 PolarHBondContact OE1-N 2.85Å; E137-G151 PolarHBondContact OE1-N 3.05Å; E137-M155 HydrophobicContact CB-CE 3.99Å; E137-M155 HydrophobicContact CG-CE 4Å; E137-M155 HydrophobicContact CG-CG 4.23Å
138	L	98.9	Very high	98.5	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-37.5	176.1	-68.4	175.2	0	0	0	112.4	A78 I87 I134 M135 G140 M155	A78-L138 HydrophobicContact CB-CD1 3.93Å; I87-L138 HydrophobicContact CD1-CB 3.75Å; I87-L138 HydrophobicContact CD1-CD1 4.23Å; I87-L138 HydrophobicContact CG1-CB 4.01Å; I87-L138 HydrophobicContact CG2-CB 4.47Å; I87-L138 WeakPolarHBondContact CG2-O 3.37Å; I134-L138 HydrophobicContact CG2-CD1 4.3Å; I134-L138 WeakPolarHBondContact O-CG 3.49Å; I134-L138 PolarHBondContact O-N 2.87Å; M135-L138 PolarHBondContact O-N 2.75Å; M135-L138 HydrophobicContact SD-CD1 4.13Å; L138-G140 VanDerWaalsContact C-N 3.28Å; L138-M155 HydrophobicContact CD2-CE 3.76Å; L138-M155 HydrophobicContact CG-CE 3.91Å
139	T	98.8	Very high	98.6	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.2	177.5	61.3	0	0	0	0	113.5	L81 I86 I87 M135 A136 E137 R141 A353	L81-T139 HydrophobicContact CD1-CG2 4.04Å; I86-T139 HydrophobicContact CG2-CG2 3.57Å; I87-T139 HydrophobicContact CG1-CG2 4.02Å; M135-T139 WeakPolarHBondContact O-CG2 3.29Å; M135-T139 PolarHBondContact O-N 3.49Å; M135-T139 PolarHBondContact O-OG1 3.08Å; A136-T139 PolarHBondContact O-N 3.3Å; A136-T139 PolarHBondContact O-OG1 3.35Å; E137-T139 VanDerWaalsContact C-N 3.28Å; E137-T139 PolarHBondContact O-N 3.28Å; T139-R141 WeakPolarHBondContact O-CD 3.36Å; T139-R141 PolarHBondContact O-NE 3.04Å; T139-R141 VanDerWaalsContact O-NE 3.07Å; T139-R141 WeakPolarHBondContact OG1-CG 3.41Å; T139-A353 WeakPolarHBondContact CB-O 3.3Å; T139-A353 HydrophobicContact CG2-CB 4.09Å; T139-A353 PolarHBondContact OG1-O 3.16Å
140	G	98.8	Very high	98.7	Very high	26 Å²	26	38.5 Å²	38.5	27%	0.268	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	33.6	174	0	0	0	0	0	114.5	A136 E137 L138 P359	A136-G140 PolarHBondContact O-N 3.1Å; A136-G140 VanDerWaalsContact O-N 3.15Å; E137-G140 PolarHBondContact O-N 3.04Å; E137-G140 VanDerWaalsContact O-N 3.08Å; L138-G140 VanDerWaalsContact C-N 3.28Å; G140-P359 VanDerWaalsContact O-CD 3.31Å; G140-P359 WeakPolarHBondContact O-CD 3.42Å
141	R	98.8	Very high	98.7	Very high	45 Å²	45	36.5 Å²	36.5	17%	0.17	20%	0.199	C	C	.	.			trans	-101.1	159.9	-175.7	-49.9	-52	176.1	87.6	-0.2	112.5	A136 T139 G143 G144 K147 G148 A353 T354 D356	A136-R141 HydrophobicContact CB-CB 4.47Å; A136-R141 PolarHBondContact O-N 2.8Å; T139-R141 WeakPolarHBondContact O-CD 3.36Å; T139-R141 PolarHBondContact O-NE 3.04Å; T139-R141 VanDerWaalsContact O-NE 3.07Å; T139-R141 WeakPolarHBondContact OG1-CG 3.41Å; R141-G143 PolarHBondContact O-N 2.81Å; R141-G144 PolarHBondContact O-N 3.32Å; R141-K147 CarbonylContact O-C 3.58Å; R141-G148 PolarHBondContact O-N 2.68Å; R141-A353 WeakPolarHBondContact CG-O 3.09Å; R141-T354 PolarHBondContact NH1-O 2.71Å; R141-D356 HydrophobicContact CB-CB 4.05Å; R141-D356 VanDerWaalsContact CB-OD2 3.31Å; R141-D356 WeakPolarHBondContact CB-OD2 3.47Å; R141-D356 WeakPolarHBondContact CD-O 3.41Å; R141-D356 HydrophobicContact CG-CB 4.4Å; R141-D356 VanDerWaalsContact CG-O 3.3Å; R141-D356 WeakPolarHBondContact CG-O 3.48Å; R141-D356 PolarHBondContact NH1-O 2.85Å
142	R	98.3	Very high	98.7	Very high	141 Å²	141	36.9 Å²	36.9	53%	0.532	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.4	-176.2	70.4	178.3	-179.1	-175.4	-2.6	113.6	G144 D356 P357 P359	R142-G144 PolarHBondContact O-N 2.75Å; R142-D356 WeakPolarHBondContact CG-OD2 3.01Å; R142-D356 PolarHBondContact N-OD2 3Å; R142-D356 IonicContact NE-OD1 3.28Å; R142-D356 PolarHBondContact NE-OD1 3Å; R142-P357 HydrophobicContact CG-CG 4.45Å; R142-P357 PolarHBondContact N-O 2.96Å; R142-P357 VanDerWaalsContact N-O 3.1Å; R142-P357 VanDerWaalsContact NE-CG 3.35Å; R142-P359 HydrophobicContact CB-CG 4.38Å
143	G	98.6	Very high	98.7	Very high	26 Å²	26	33.8 Å²	33.8	27%	0.268	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.6	176.2	0	0	0	0	0	113.8	R141 D356	R141-G143 PolarHBondContact O-N 2.81Å; G143-D356 WeakPolarHBondContact CA-OD2 3.41Å; G143-D356 PolarHBondContact N-OD2 2.93Å
144	G	98.8	Very high	98.7	Very high	8 Å²	8	33.3 Å²	33.3	8%	0.082	19%	0.187	C	C	.	.	S	Bend	trans	-65.1	154.6	171.2	0	0	0	0	0	112.4	E133 E137 R141 R142 A146 K147	E133-G144 WeakPolarHBondContact O-CA 3.36Å; E137-G144 VanDerWaalsContact OE2-C 3.31Å; E137-G144 WeakPolarHBondContact OE2-CA 3.25Å; R141-G144 PolarHBondContact O-N 3.32Å; R142-G144 PolarHBondContact O-N 2.75Å; G144-A146 PolarHBondContact O-N 2.82Å; G144-A146 VanDerWaalsContact O-N 3.1Å; G144-K147 WeakPolarHBondContact O-CA 3.29Å; G144-K147 PolarHBondContact O-N 3.07Å
145	I	98.6	Very high	98.7	Very high	41 Å²	41	33.3 Å²	33.3	21%	0.21	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.2	-179.2	-160.2	169.3	0	0	0	113.5	T124 E133 E137 M155 Y156 C157	T124-I145 HydrophobicContact CG2-CD1 3.76Å; E133-I145 HydrophobicContact CB-CB 4.05Å; E133-I145 PolarHBondContact O-N 3.33Å; E137-I145 HydrophobicContact CB-CG2 4.13Å; E137-I145 HydrophobicContact CG-CG2 4.09Å; E137-I145 PolarHBondContact OE2-N 3.36Å; I145-M155 HydrophobicContact CG2-CB 3.81Å; I145-M155 HydrophobicContact CG2-CG 3.78Å; I145-M155 HydrophobicContact CG2-SD 4.32Å; I145-Y156 WeakPolarHBondContact CD1-O 3.3Å; I145-C157 HydrophobicContact CD1-CB 4.22Å
146	A	98.4	Very high	98.7	Very high	29 Å²	29	38.6 Å²	38.6	24%	0.24	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	25.1	173.6	0	0	0	0	0	111.6	E137 G144 G148 K149	E137-A146 VanDerWaalsContact OE2-C 3.23Å; E137-A146 VanDerWaalsContact OE2-CA 3.32Å; E137-A146 WeakPolarHBondContact OE2-CA 3.44Å; E137-A146 PolarHBondContact OE2-N 3.3Å; G144-A146 PolarHBondContact O-N 2.82Å; G144-A146 VanDerWaalsContact O-N 3.1Å; A146-G148 PolarHBondContact O-N 3.28Å; A146-K149 WeakPolarHBondContact O-CB 3.4Å; A146-K149 PolarHBondContact O-N 3.3Å
147	K	98.5	Very high	98.6	Very high	92 Å²	92	40.1 Å²	40.1	40%	0.4	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	35.8	179.8	-51.5	177.8	-176.5	176.6	0	113.2	E137 R141 G144 K149 P359 H367	E137-K147 PolarHBondContact OE2-N 3.02Å; R141-K147 CarbonylContact O-C 3.58Å; G144-K147 WeakPolarHBondContact O-CA 3.29Å; G144-K147 PolarHBondContact O-N 3.07Å; K147-K149 PolarHBondContact O-N 3.19Å; K147-P359 WeakPolarHBondContact O-CG 3.34Å; K147-H367 PolarHBondContact NZ-NE2 2.88Å; K147-H367 VanDerWaalsContact NZ-NE2 3.14Å
148	G	98.4	Very high	98.6	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	9	-179.8	0	0	0	0	0	114.7	E137 R141 A146	E137-G148 WeakPolarHBondContact OE1-CA 3.41Å; E137-G148 PolarHBondContact OE1-N 3.45Å; E137-G148 PolarHBondContact OE2-N 3.35Å; R141-G148 PolarHBondContact O-N 2.68Å; A146-G148 PolarHBondContact O-N 3.28Å
149	K	98.6	Very high	98.6	Very high	98 Å²	98	48.7 Å²	48.7	43%	0.426	26%	0.256	S	S	.	.	S	Bend	trans	-84.3	-25.4	178.3	-63.4	-69	-177.6	77.1	0	112.8	E137 A146 K147 E363 L364	E137-K149 PolarHBondContact OE1-N 3.34Å; A146-K149 WeakPolarHBondContact O-CB 3.4Å; A146-K149 PolarHBondContact O-N 3.3Å; K147-K149 PolarHBondContact O-N 3.19Å; K149-E363 PolarHBondContact NZ-O 3.33Å; K149-L364 PolarHBondContact NZ-O 3.28Å
150	G	98.6	Very high	98.6	Very high	22 Å²	22	48.3 Å²	48.3	23%	0.227	25%	0.254	C	S	.	.	S	Bend	trans	-98.3	-42.1	-171.1	0	0	0	0	0	113.9	E137	E137-G150 WeakPolarHBondContact OE1-CA 3.45Å; E137-G150 PolarHBondContact OE1-N 2.85Å
151	G	98.8	Very high	98.6	Very high	22 Å²	22	51 Å²	51	23%	0.227	26%	0.256	C	S	.	.			trans	67.1	-158.7	-170.9	0	0	0	0	0	113.1	E137 M153 H154	E137-G151 PolarHBondContact OE1-N 3.05Å; G151-M153 VanDerWaalsContact C-N 3.3Å; G151-M153 PolarHBondContact O-N 2.98Å; G151-H154 PolarHBondContact O-N 3.49Å
152	S	98.8	Very high	98.5	Very high	8 Å²	8	48.9 Å²	48.9	6%	0.056	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-39.2	-172.8	173.6	0	0	0	0	114.5	F90 H121	F90-S152 WeakPolarHBondContact O-CB 3.5Å; H121-S152 PolarHBondContact NE2-OG 3.46Å
153	M	98.8	Very high	98.5	Very high	36 Å²	36	42.2 Å²	42.2	18%	0.177	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.5	-168.8	-56.4	-167.1	-65.1	0	0	113.5	F90 Y118 G151 G163	F90-M153 HydrophobicContact CB-CE 4.36Å; F90-M153 HydrophobicContact CB-CG 4.08Å; F90-M153 HydrophobicContact CB-SD 3.87Å; F90-M153 HydrophobicContact CD2-CE 3.6Å; F90-M153 HydrophobicContact CD2-SD 3.84Å; F90-M153 HydrophobicContact CE2-CE 4.29Å; F90-M153 HydrophobicContact CG-CE 4.28Å; F90-M153 HydrophobicContact CG-SD 3.95Å; Y118-M153 HydrophobicContact CG-SD 4.42Å; G151-M153 VanDerWaalsContact C-N 3.3Å; G151-M153 PolarHBondContact O-N 2.98Å; M153-G163 CarbonylContact O-C 3.6Å; M153-G163 WeakPolarHBondContact O-CA 3.42Å
154	H	98.9	Very high	98.5	Very high	62 Å²	62	42 Å²	42	29%	0.287	22%	0.216	S	C	.	.			trans	-131.6	71.9	-165	-58.9	-56.2	0	0	0	111.5	G151 Y156 G163	G151-H154 PolarHBondContact O-N 3.49Å; H154-Y156 HydrophobicContact CB-CE2 4.08Å; H154-G163 PolarHBondContact ND1-O 3.1Å
155	M	98.8	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.			trans	-112.9	137.5	174.6	-59.8	-175.1	-172	0	0	109	T124 I134 E137 L138 I145 F160 G162 G163	T124-M155 HydrophobicContact CG2-CB 3.94Å; T124-M155 HydrophobicContact CG2-SD 4.09Å; I134-M155 HydrophobicContact CB-SD 4.38Å; I134-M155 HydrophobicContact CG1-SD 4.18Å; I134-M155 HydrophobicContact CG2-CE 4.05Å; I134-M155 HydrophobicContact CG2-SD 3.96Å; E137-M155 HydrophobicContact CB-CE 3.99Å; E137-M155 HydrophobicContact CG-CE 4Å; E137-M155 HydrophobicContact CG-CG 4.23Å; L138-M155 HydrophobicContact CD2-CE 3.76Å; L138-M155 HydrophobicContact CG-CE 3.91Å; I145-M155 HydrophobicContact CG2-CB 3.81Å; I145-M155 HydrophobicContact CG2-CG 3.78Å; I145-M155 HydrophobicContact CG2-SD 4.32Å; M155-F160 WeakPolarHBondContact O-CE1 3.48Å; M155-G162 WeakPolarHBondContact O-CA 3.38Å; M155-G163 PolarHBondContact O-N 2.88Å
156	Y	98.7	Very high	98.5	Very high	112 Å²	112	46.8 Å²	46.8	44%	0.439	25%	0.245	S	C	.	.			trans	-135.5	144.7	-177.3	-56.5	-94.9	0	0	0	109.4	I145 H154 Y161	I145-Y156 WeakPolarHBondContact CD1-O 3.3Å; H154-Y156 HydrophobicContact CB-CE2 4.08Å; Y156-Y161 VanDerWaalsContact CE1-O 3.31Å; Y156-Y161 WeakPolarHBondContact CE1-O 3.46Å
157	C	97.3	Very high	98.5	Very high	31 Å²	31	48 Å²	48	21%	0.209	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-147.4	-175.3	170.1	63.8	0	0	0	0	110	R127 I145 N159 F160	R127-C157 VanDerWaalsContact CB-SG 3.59Å; R127-C157 PolarHBondContact O-SG 3.18Å; I145-C157 HydrophobicContact CD1-CB 4.22Å; C157-N159 PolarHBondContact O-N 2.91Å; C157-N159 VanDerWaalsContact O-N 3.16Å; C157-F160 PolarHBondContact N-O 2.93Å; C157-F160 PolarHBondContact O-N 2.68Å; C157-F160 VanDerWaalsContact O-O 3.07Å; C157-F160 WeakPolarHBondContact SG-CB 3.48Å
158	K	98	Very high	98.5	Very high	158 Å²	158	43.7 Å²	43.7	69%	0.687	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	124	-175.4	-174.9	177	178	-176	0	110.5	F160	K158-F160 PolarHBondContact O-N 2.95Å
159	N	98.6	Very high	98.5	Very high	32 Å²	32	43.9 Å²	43.9	17%	0.171	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	22.2	-178.3	-62.4	-17.2	0	0	0	114.1	L110 N111 D112 H113 L114 R127 C157	L110-N159 PolarHBondContact O-ND2 2.98Å; N111-N159 WeakPolarHBondContact CA-ND2 3.45Å; N111-N159 PolarHBondContact O-ND2 2.88Å; D112-N159 WeakPolarHBondContact O-CB 3.43Å; H113-N159 PolarHBondContact CE1-OD1 3.02Å; L114-N159 PolarHBondContact N-O 3.07Å; R127-N159 PolarHBondContact NH2-O 2.85Å; C157-N159 PolarHBondContact O-N 2.91Å; C157-N159 VanDerWaalsContact O-N 3.16Å
160	F	98.9	Very high	98.5	Very high	3 Å²	3	39.2 Å²	39.2	1%	0.013	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	105.9	168.1	176	-123.9	0	0	0	108.1	L114 T116 A120 T124 R127 M155 C157 K158 G162	L114-F160 HydrophobicContact CB-CD2 4.34Å; L114-F160 HydrophobicContact CD2-CD2 3.55Å; L114-F160 HydrophobicContact CD2-CE2 3.49Å; L114-F160 VanDerWaalsContact CD2-CE2 3.49Å; L114-F160 CarbonylContact O-C 3.54Å; L114-F160 WeakPolarHBondContact O-CA 3.23Å; L114-F160 WeakPolarHBondContact O-CD2 3.33Å; T116-F160 HydrophobicContact CG2-CE2 3.97Å; T116-F160 HydrophobicContact CG2-CZ 4.09Å; A120-F160 HydrophobicContact CB-CZ 4.17Å; T124-F160 WeakPolarHBondContact OG1-CE1 3.4Å; R127-F160 HydrophobicContact CB-CB 3.74Å; R127-F160 HydrophobicContact CB-CG 4.07Å; R127-F160 HydrophobicContact CG-CB 3.96Å; R127-F160 HydrophobicContact CG-CD2 4.1Å; R127-F160 HydrophobicContact CG-CG 4.09Å; M155-F160 WeakPolarHBondContact O-CE1 3.48Å; C157-F160 PolarHBondContact N-O 2.93Å; C157-F160 PolarHBondContact O-N 2.68Å; C157-F160 VanDerWaalsContact O-O 3.07Å; C157-F160 WeakPolarHBondContact SG-CB 3.48Å; K158-F160 PolarHBondContact O-N 2.95Å; F160-G162 PolarHBondContact O-N 2.98Å
161	Y	98.8	Very high	98.5	Very high	83 Å²	83	38.1 Å²	38.1	33%	0.325	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	22.3	-174.5	-55.8	-94.1	0	0	0	112	H113 L114 Y156 N164 V177	H113-Y161 HydrophobicContact CB-CD2 4.43Å; H113-Y161 HydrophobicContact CB-CE2 3.69Å; H113-Y161 PolarHBondContact CE1-OH 3.46Å; H113-Y161 VanDerWaalsContact CE1-OH 3.32Å; H113-Y161 AromaticContact CG-CE2 3.86Å; H113-Y161 AromaticContact ND1-CE2 3.33Å; H113-Y161 VanDerWaalsContact ND1-CE2 3.33Å; H113-Y161 WeakPolarHBondContact ND1-CE2 3.43Å; H113-Y161 AromaticContact ND1-CZ 3.47Å; H113-Y161 PolarHBondContact ND1-OH 3.47Å; L114-Y161 PolarHBondContact O-N 2.92Å; Y156-Y161 VanDerWaalsContact CE1-O 3.31Å; Y156-Y161 WeakPolarHBondContact CE1-O 3.46Å; Y161-N164 PolarHBondContact O-ND2 3.27Å; Y161-V177 HydrophobicContact CD1-CG2 4.13Å; Y161-V177 HydrophobicContact CD2-CG1 4.47Å; Y161-V177 HydrophobicContact CD2-CG2 4.19Å; Y161-V177 HydrophobicContact CE1-CG2 4Å; Y161-V177 HydrophobicContact CE2-CG1 3.8Å; Y161-V177 HydrophobicContact CE2-CG2 4.13Å; Y161-V177 HydrophobicContact CG-CG2 4.21Å
162	G	97.4	Very high	98.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-176.2	158.3	0	0	0	0	0	116.8	T116 M155 F160 N164	T116-G162 PolarHBondContact N-O 2.96Å; T116-G162 VanDerWaalsContact O-O 3.1Å; M155-G162 WeakPolarHBondContact O-CA 3.38Å; F160-G162 PolarHBondContact O-N 2.98Å; G162-N164 PolarHBondContact O-ND2 3.29Å; G162-N164 VanDerWaalsContact O-ND2 3.14Å
163	G	97.9	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.1	165.1	0	0	0	0	0	111	A117 M153 H154 M155	A117-G163 WeakPolarHBondContact O-CA 3.36Å; M153-G163 CarbonylContact O-C 3.6Å; M153-G163 WeakPolarHBondContact O-CA 3.42Å; H154-G163 PolarHBondContact ND1-O 3.1Å; M155-G163 PolarHBondContact O-N 2.88Å
164	N	98.8	Very high	98.6	Very high	22 Å²	22	41.6 Å²	41.6	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.9	-176.7	-67.4	-88.4	0	0	0	110	I115 T116 A117 Y118 Y161 G162 Q170	I115-N164 WeakPolarHBondContact CG1-ND2 3.46Å; T116-N164 WeakPolarHBondContact O-CB 3.36Å; T116-N164 PolarHBondContact O-N 2.91Å; T116-N164 PolarHBondContact O-ND2 3.09Å; A117-N164 CarbonylContact C-O 3.57Å; A117-N164 WeakPolarHBondContact CA-O 3.46Å; A117-N164 PolarHBondContact O-N 3.05Å; Y118-N164 PolarHBondContact N-O 3.16Å; Y118-N164 VanDerWaalsContact N-O 3.07Å; Y161-N164 PolarHBondContact O-ND2 3.27Å; G162-N164 PolarHBondContact O-ND2 3.29Å; G162-N164 VanDerWaalsContact O-ND2 3.14Å; N164-Q170 HydrophobicContact CB-CB 3.84Å
165	G	98.3	Very high	98.6	Very high	25 Å²	25	39.1 Å²	39.1	26%	0.258	20%	0.204	S	C	.	.	S	Bend	trans	-77.1	-22.8	-174.5	0	0	0	0	0	114.6
166	I	98.8	Very high	98.6	Very high	125 Å²	125	41 Å²	41	64%	0.641	22%	0.223	S	C	*	.	S	Bend	trans	-93	113.8	-177.6	-52.2	-55.1	0	0	0	109.4	G168 A169	I166-G168 PolarHBondContact O-N 3.43Å; I166-G168 VanDerWaalsContact O-N 3.16Å; I166-A169 HydrophobicContact CB-CB 3.81Å; I166-A169 HydrophobicContact CG2-CB 3.9Å; I166-A169 WeakPolarHBondContact O-CB 3.31Å; I166-A169 PolarHBondContact O-N 2.9Å; I166-A169 VanDerWaalsContact O-N 3.08Å
167	V	98.7	Very high	98.6	Very high	55 Å²	55	36.5 Å²	36.5	33%	0.333	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	118	-173.9	-179.6	0	0	0	0	111.2	Y118 A169 A198 Q201	Y118-V167 HydrophobicContact CE1-CG2 4.12Å; V167-A169 VanDerWaalsContact C-N 3.33Å; V167-A198 HydrophobicContact CG1-CB 3.55Å; V167-Q201 HydrophobicContact CG1-CG 4.26Å
168	G	98.7	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-15.7	177.5	0	0	0	0	0	114.6	I166 Q170 V171 P172	I166-G168 PolarHBondContact O-N 3.43Å; I166-G168 VanDerWaalsContact O-N 3.16Å; G168-Q170 VanDerWaalsContact C-OE1 3.27Å; G168-Q170 VanDerWaalsContact N-OE1 3.14Å; G168-Q170 PolarHBondContact O-N 2.96Å; G168-V171 WeakPolarHBondContact O-CB 3.43Å; G168-V171 PolarHBondContact O-N 3.37Å; G168-V171 VanDerWaalsContact O-N 3.1Å; G168-P172 VanDerWaalsContact O-CD 3.3Å; G168-P172 WeakPolarHBondContact O-CD 3.04Å
169	A	98.8	Very high	98.7	Very high	27 Å²	27	31 Å²	31	22%	0.223	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.8	-177.3	0	0	0	0	0	113.2	I166 V167 V171 P172 L173	I166-A169 HydrophobicContact CB-CB 3.81Å; I166-A169 HydrophobicContact CG2-CB 3.9Å; I166-A169 WeakPolarHBondContact O-CB 3.31Å; I166-A169 PolarHBondContact O-N 2.9Å; I166-A169 VanDerWaalsContact O-N 3.08Å; V167-A169 VanDerWaalsContact C-N 3.33Å; A169-V171 PolarHBondContact O-N 2.99Å; A169-P172 WeakPolarHBondContact O-CD 3.33Å; A169-L173 WeakPolarHBondContact O-CG 3.46Å
170	Q	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-17.9	176.4	79.3	-74.9	7.2	0	0	113.4	I115 N164 G168 L173 G174 L193	I115-Q170 HydrophobicContact CD1-CB 3.92Å; I115-Q170 HydrophobicContact CG1-CB 4.03Å; N164-Q170 HydrophobicContact CB-CB 3.84Å; G168-Q170 VanDerWaalsContact C-OE1 3.27Å; G168-Q170 VanDerWaalsContact N-OE1 3.14Å; G168-Q170 PolarHBondContact O-N 2.96Å; Q170-L173 PolarHBondContact O-N 3.25Å; Q170-G174 PolarHBondContact O-N 3.14Å; Q170-L193 WeakPolarHBondContact CG-O 3.35Å; Q170-L193 PolarHBondContact NE2-O 2.65Å
171	V	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-52.1	-175.1	-180	0	0	0	0	112.3	G168 A169 L173 G174 A175 C192 Y194 I204 T207 F220	G168-V171 WeakPolarHBondContact O-CB 3.43Å; G168-V171 PolarHBondContact O-N 3.37Å; G168-V171 VanDerWaalsContact O-N 3.1Å; A169-V171 PolarHBondContact O-N 2.99Å; V171-L173 PolarHBondContact O-N 2.88Å; V171-G174 PolarHBondContact O-N 3.23Å; V171-A175 PolarHBondContact O-N 3.07Å; V171-A175 VanDerWaalsContact O-N 3.14Å; V171-C192 VanDerWaalsContact CA-SG 3.54Å; V171-Y194 HydrophobicContact CG2-CD1 3.7Å; V171-Y194 HydrophobicContact CG2-CG 4.02Å; V171-I204 HydrophobicContact CB-CG1 3.91Å; V171-I204 HydrophobicContact CG1-CB 4.36Å; V171-I204 HydrophobicContact CG1-CG1 4.04Å; V171-I204 HydrophobicContact CG1-CG2 4.21Å; V171-I204 HydrophobicContact CG2-CD1 3.91Å; V171-I204 HydrophobicContact CG2-CG1 3.86Å; V171-T207 HydrophobicContact CG1-CG2 4.06Å; V171-F220 HydrophobicContact CG1-CD1 4.03Å; V171-F220 HydrophobicContact CG1-CE1 3.79Å
172	P	98.9	Very high	98.7	Very high	43 Å²	43	32.4 Å²	32.4	28%	0.279	20%	0.197	S	C	.	.	H	α-helix	trans	-56.4	-38.3	169.7	-22.8	29.5	0	0	0	113.2	G168 A169 A175 G176 Q203 T207	G168-P172 VanDerWaalsContact O-CD 3.3Å; G168-P172 WeakPolarHBondContact O-CD 3.04Å; A169-P172 WeakPolarHBondContact O-CD 3.33Å; P172-A175 PolarHBondContact O-N 3.49Å; P172-G176 PolarHBondContact O-N 2.9Å; P172-Q203 HydrophobicContact CG-CB 4.1Å; P172-Q203 HydrophobicContact CG-CG 4.18Å; P172-T207 WeakPolarHBondContact CA-OG1 3.39Å; P172-T207 WeakPolarHBondContact CG-OG1 3.37Å
173	L	98.9	Very high	98.8	Very high	96 Å²	96	42.3 Å²	42.3	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-45.5	178.9	-64.2	178.1	0	0	0	111.9	I115 A169 Q170 V171 A175 G176 V177	I115-L173 HydrophobicContact CD1-CB 3.72Å; I115-L173 HydrophobicContact CD1-CD1 4.27Å; A169-L173 WeakPolarHBondContact O-CG 3.46Å; Q170-L173 PolarHBondContact O-N 3.25Å; V171-L173 PolarHBondContact O-N 2.88Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-A175 PolarHBondContact O-N 2.95Å; L173-G176 WeakPolarHBondContact O-CA 3.49Å; L173-G176 PolarHBondContact O-N 3.34Å; L173-G176 VanDerWaalsContact O-N 3.1Å; L173-V177 WeakPolarHBondContact O-CG2 3.18Å; L173-V177 PolarHBondContact O-N 3.37Å
174	G	98.9	Very high	98.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-40.3	175.9	0	0	0	0	0	112.9	Q170 V171 G176 V177 A178 C190	Q170-G174 PolarHBondContact O-N 3.14Å; V171-G174 PolarHBondContact O-N 3.23Å; G174-G176 VanDerWaalsContact C-N 3.32Å; G174-G176 PolarHBondContact O-N 3.23Å; G174-V177 PolarHBondContact O-N 3.33Å; G174-A178 PolarHBondContact O-N 3.06Å; G174-C190 PolarHBondContact O-SG 3.33Å
175	A	98.9	Very high	98.7	Very high	9 Å²	9	52 Å²	52	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-36.5	172.3	0	0	0	0	0	112.4	V171 P172 L173 A178 L179 T207 L216 F220	V171-A175 PolarHBondContact O-N 3.07Å; V171-A175 VanDerWaalsContact O-N 3.14Å; P172-A175 PolarHBondContact O-N 3.49Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-A175 PolarHBondContact O-N 2.95Å; A175-A178 PolarHBondContact O-N 3.39Å; A175-L179 WeakPolarHBondContact O-CB 3.23Å; A175-L179 PolarHBondContact O-N 3.09Å; A175-T207 HydrophobicContact CB-CG2 3.33Å; A175-L216 HydrophobicContact CB-CD1 4.29Å; A175-L216 WeakPolarHBondContact O-CD1 3.37Å; A175-F220 HydrophobicContact CB-CZ 4.47Å
176	G	98.9	Very high	98.5	Very high	39 Å²	39	53 Å²	53	40%	0.402	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-39.8	171.8	0	0	0	0	0	113.1	P172 L173 G174 L179 A180	P172-G176 PolarHBondContact O-N 2.9Å; L173-G176 WeakPolarHBondContact O-CA 3.49Å; L173-G176 PolarHBondContact O-N 3.34Å; L173-G176 VanDerWaalsContact O-N 3.1Å; G174-G176 VanDerWaalsContact C-N 3.32Å; G174-G176 PolarHBondContact O-N 3.23Å; G176-L179 WeakPolarHBondContact O-CB 3.42Å; G176-L179 PolarHBondContact O-N 2.8Å; G176-A180 PolarHBondContact O-N 3.07Å
177	V	98.9	Very high	98.4	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-65.5	-43.2	173.1	176.8	0	0	0	0	111	H113 Y161 L173 G174 L179 A180 C181 C190	H113-V177 HydrophobicContact CB-CG1 3.51Å; Y161-V177 HydrophobicContact CD1-CG2 4.13Å; Y161-V177 HydrophobicContact CD2-CG1 4.47Å; Y161-V177 HydrophobicContact CD2-CG2 4.19Å; Y161-V177 HydrophobicContact CE1-CG2 4Å; Y161-V177 HydrophobicContact CE2-CG1 3.8Å; Y161-V177 HydrophobicContact CE2-CG2 4.13Å; Y161-V177 HydrophobicContact CG-CG2 4.21Å; L173-V177 WeakPolarHBondContact O-CG2 3.18Å; L173-V177 PolarHBondContact O-N 3.37Å; G174-V177 PolarHBondContact O-N 3.33Å; V177-L179 VanDerWaalsContact C-N 3.31Å; V177-L179 PolarHBondContact O-N 3.5Å; V177-A180 WeakPolarHBondContact O-CA 3.43Å; V177-A180 WeakPolarHBondContact O-CB 3.5Å; V177-A180 PolarHBondContact O-N 2.95Å; V177-A180 VanDerWaalsContact O-N 3.07Å; V177-C181 PolarHBondContact O-N 3.04Å; V177-C181 PolarHBondContact O-SG 2.61Å; V177-C190 HydrophobicContact CB-CB 4.34Å; V177-C190 HydrophobicContact CG1-CB 4.19Å
178	A	98.9	Very high	98.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-37.8	174.8	0	0	0	0	0	112.7	G174 A175 A180 C181 K182 C190 L216 P217 V218	G174-A178 PolarHBondContact O-N 3.06Å; A175-A178 PolarHBondContact O-N 3.39Å; A178-A180 VanDerWaalsContact C-N 3.31Å; A178-A180 PolarHBondContact O-N 3Å; A178-C181 WeakPolarHBondContact O-CB 3.24Å; A178-C181 PolarHBondContact O-N 3.28Å; A178-K182 PolarHBondContact O-N 2.51Å; A178-C190 HydrophobicContact CB-CB 3.95Å; A178-L216 HydrophobicContact CB-CB 4.2Å; A178-P217 HydrophobicContact CB-CG 4.35Å; A178-P217 WeakPolarHBondContact O-CD 3.44Å; A178-V218 HydrophobicContact CB-CB 3.69Å; A178-V218 HydrophobicContact CB-CG1 4.46Å; A178-V218 HydrophobicContact CB-CG2 4.47Å
179	L	98.9	Very high	98.4	Very high	72 Å²	72	51.9 Å²	51.9	38%	0.377	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-43.9	171	175.9	66.8	0	0	0	110.8	A175 G176 V177 C181 K182 Y183 L216	A175-L179 WeakPolarHBondContact O-CB 3.23Å; A175-L179 PolarHBondContact O-N 3.09Å; G176-L179 WeakPolarHBondContact O-CB 3.42Å; G176-L179 PolarHBondContact O-N 2.8Å; V177-L179 VanDerWaalsContact C-N 3.31Å; V177-L179 PolarHBondContact O-N 3.5Å; L179-C181 PolarHBondContact O-N 3.41Å; L179-K182 PolarHBondContact O-N 3.4Å; L179-Y183 VanDerWaalsContact O-CB 3.27Å; L179-Y183 WeakPolarHBondContact O-CB 3.37Å; L179-Y183 PolarHBondContact O-N 2.92Å; L179-L216 HydrophobicContact CB-CD1 4.2Å; L179-L216 HydrophobicContact CB-CD2 4.1Å; L179-L216 HydrophobicContact CD1-CD2 3.83Å
180	A	98.9	Very high	98.4	Very high	40 Å²	40	50.6 Å²	50.6	33%	0.331	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-38.7	176.1	0	0	0	0	0	112.7	G176 V177 A178 Y183 K184	G176-A180 PolarHBondContact O-N 3.07Å; V177-A180 WeakPolarHBondContact O-CA 3.43Å; V177-A180 WeakPolarHBondContact O-CB 3.5Å; V177-A180 PolarHBondContact O-N 2.95Å; V177-A180 VanDerWaalsContact O-N 3.07Å; A178-A180 VanDerWaalsContact C-N 3.31Å; A178-A180 PolarHBondContact O-N 3Å; A180-Y183 PolarHBondContact O-N 3.14Å; A180-K184 WeakPolarHBondContact O-CB 3.44Å; A180-K184 WeakPolarHBondContact O-CG 3.3Å; A180-K184 PolarHBondContact O-N 3.5Å
181	C	98.7	Very high	98.4	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-59.7	-48.8	174.3	-59	0	0	0	0	110.9	H113 V177 A178 L179 Y183 K184 G185 S186 E188 P217	H113-C181 PolarHBondContact CD2-SG 3.06Å; V177-C181 PolarHBondContact O-N 3.04Å; V177-C181 PolarHBondContact O-SG 2.61Å; A178-C181 WeakPolarHBondContact O-CB 3.24Å; A178-C181 PolarHBondContact O-N 3.28Å; L179-C181 PolarHBondContact O-N 3.41Å; C181-Y183 PolarHBondContact O-N 2.94Å; C181-K184 PolarHBondContact O-N 3.22Å; C181-G185 PolarHBondContact O-N 2.93Å; C181-G185 VanDerWaalsContact O-N 3.08Å; C181-S186 PolarHBondContact O-N 3.15Å; C181-S186 PolarHBondContact O-OG 3.17Å; C181-E188 HydrophobicContact CB-CB 4.29Å; C181-E188 WeakPolarHBondContact CB-O 3.2Å; C181-P217 HydrophobicContact CB-CG 4.18Å
182	K	98.6	Very high	98.4	Very high	104 Å²	104	50.6 Å²	50.6	45%	0.452	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-44.7	176.5	-171.8	179.1	-178.2	-177.8	0	111.9	A178 L179 K184 G185 W214 L216 P217	A178-K182 PolarHBondContact O-N 2.51Å; L179-K182 PolarHBondContact O-N 3.4Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.38Å; K182-G185 PolarHBondContact O-N 3.28Å; K182-G185 VanDerWaalsContact O-N 3.14Å; K182-W214 PolarHBondContact NZ-O 3.44Å; K182-L216 HydrophobicContact CD-CD2 4.21Å; K182-P217 HydrophobicContact CB-CG 4.35Å
183	Y	98.7	Very high	98.4	Very high	207 Å²	207	48.5 Å²	48.5	81%	0.812	27%	0.266	S	S	*	.	H	α-helix	trans	-61.3	-38.8	-179.1	-168.1	-83.7	0	0	0	112.1	L179 A180 C181	L179-Y183 VanDerWaalsContact O-CB 3.27Å; L179-Y183 WeakPolarHBondContact O-CB 3.37Å; L179-Y183 PolarHBondContact O-N 2.92Å; A180-Y183 PolarHBondContact O-N 3.14Å; C181-Y183 PolarHBondContact O-N 2.94Å
184	K	98.3	Very high	98.4	Very high	162 Å²	162	44.1 Å²	44.1	70%	0.704	24%	0.243	S	C	*	.	H	α-helix	trans	-80.5	-14	177.6	-69.3	175.8	-179.9	178	0	113.7	A180 C181 K182 S186	A180-K184 WeakPolarHBondContact O-CB 3.44Å; A180-K184 WeakPolarHBondContact O-CG 3.3Å; A180-K184 PolarHBondContact O-N 3.5Å; C181-K184 PolarHBondContact O-N 3.22Å; K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.38Å; K184-S186 VanDerWaalsContact C-N 3.27Å; K184-S186 PolarHBondContact O-N 3.31Å
185	G	97.1	Very high	98.4	Very high	64 Å²	64	45.1 Å²	45.1	66%	0.66	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	31.2	-174.7	0	0	0	0	0	113.4	C181 K182 N187	C181-G185 PolarHBondContact O-N 2.93Å; C181-G185 VanDerWaalsContact O-N 3.08Å; K182-G185 PolarHBondContact O-N 3.28Å; K182-G185 VanDerWaalsContact O-N 3.14Å; G185-N187 VanDerWaalsContact C-N 3.28Å; G185-N187 PolarHBondContact O-N 3.21Å
186	S	93.8	Very high	98.4	Very high	45 Å²	45	44.8 Å²	44.8	32%	0.315	25%	0.25	S	S	.	.			trans	-78.6	-5.2	-172	55.6	0	0	0	0	114.9	C181 K184 E188	C181-S186 PolarHBondContact O-N 3.15Å; C181-S186 PolarHBondContact O-OG 3.17Å; K184-S186 VanDerWaalsContact C-N 3.27Å; K184-S186 PolarHBondContact O-N 3.31Å; S186-E188 WeakPolarHBondContact CB-OE2 3.48Å; S186-E188 PolarHBondContact O-N 3.38Å; S186-E188 VanDerWaalsContact O-N 3.1Å; S186-E188 WeakPolarHBondContact OG-CB 3.37Å; S186-E188 VanDerWaalsContact OG-CD 3.27Å; S186-E188 WeakPolarHBondContact OG-CG 3.29Å; S186-E188 PolarHBondContact OG-OE2 3.34Å
187	N	96	Very high	98.3	Very high	110 Å²	110	44.4 Å²	44.4	59%	0.588	25%	0.246	S	C	*	.			trans	54.5	19.9	-169.5	-161.8	39.1	0	0	0	113.8	G185	G185-N187 VanDerWaalsContact C-N 3.28Å; G185-N187 PolarHBondContact O-N 3.21Å
188	E	98.6	Very high	98.3	Very high	47 Å²	47	43.8 Å²	43.8	22%	0.22	24%	0.243	C	C	.	.			trans	-87.8	160.1	170.9	-62.5	163	170.1	0	0	109.8	N111 D112 H113 C181 S186	N111-E188 HydrophobicContact CB-CG 4.45Å; D112-E188 WeakPolarHBondContact OD1-CA 3.39Å; H113-E188 IonicContact CD2-OE2 3.91Å; H113-E188 IonicContact NE2-OE2 3.89Å; H113-E188 PolarHBondContact NE2-OE2 3.4Å; C181-E188 HydrophobicContact CB-CB 4.29Å; C181-E188 WeakPolarHBondContact CB-O 3.2Å; S186-E188 WeakPolarHBondContact CB-OE2 3.48Å; S186-E188 PolarHBondContact O-N 3.38Å; S186-E188 VanDerWaalsContact O-N 3.1Å; S186-E188 WeakPolarHBondContact OG-CB 3.37Å; S186-E188 VanDerWaalsContact OG-CD 3.27Å; S186-E188 WeakPolarHBondContact OG-CG 3.29Å; S186-E188 PolarHBondContact OG-OE2 3.34Å
189	L	98.8	Very high	98.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.			trans	-127.3	169.5	174.3	64	78.5	0	0	0	112.1	I108 D112 H113 V191 P217 I219 A270 C273 R274	I108-L189 HydrophobicContact CG2-CD1 4.48Å; D112-L189 HydrophobicContact CB-CD1 4.18Å; D112-L189 HydrophobicContact CB-CG 4.32Å; D112-L189 PolarHBondContact OD1-N 3.13Å; H113-L189 WeakPolarHBondContact CB-O 3.38Å; H113-L189 PolarHBondContact CD2-O 2.91Å; H113-L189 PolarHBondContact N-O 3.5Å; L189-V191 HydrophobicContact CD1-CG2 3.72Å; L189-P217 WeakPolarHBondContact CA-O 3.33Å; L189-P217 HydrophobicContact CB-CB 4.19Å; L189-P217 WeakPolarHBondContact CB-O 3.08Å; L189-I219 HydrophobicContact CD1-CD1 4.02Å; L189-I219 HydrophobicContact CD2-CD1 4.01Å; L189-A270 VanDerWaalsContact CD2-CA 3.47Å; L189-A270 HydrophobicContact CD2-CB 3.55Å; L189-C273 HydrophobicContact CB-CB 4.39Å; L189-C273 HydrophobicContact CD2-CB 4.25Å; L189-R274 HydrophobicContact CD2-CG 4.34Å
190	C	98.9	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	167.6	-171.2	0	0	0	0	111.9	H113 G174 V177 A178 P217 V218 I219	H113-C190 HydrophobicContact CB-CB 4.06Å; H113-C190 CarbonylContact O-C 3.57Å; H113-C190 VanDerWaalsContact O-CA 3.31Å; H113-C190 WeakPolarHBondContact O-CA 3.11Å; G174-C190 PolarHBondContact O-SG 3.33Å; V177-C190 HydrophobicContact CB-CB 4.34Å; V177-C190 HydrophobicContact CG1-CB 4.19Å; A178-C190 HydrophobicContact CB-CB 3.95Å; C190-P217 PolarHBondContact N-O 2.99Å; C190-V218 CarbonylContact O-C 3.5Å; C190-V218 VanDerWaalsContact O-CA 3.3Å; C190-V218 WeakPolarHBondContact O-CA 3.39Å; C190-I219 PolarHBondContact O-N 3.21Å
191	V	98.9	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.2	165.1	-174.8	0	0	0	0	108.7	I104 I108 H113 L114 I115 L189 L193 I219 I221	I104-V191 HydrophobicContact CG2-CG1 4.09Å; I104-V191 HydrophobicContact CG2-CG2 4.28Å; I108-V191 HydrophobicContact CD1-CG2 4.12Å; I108-V191 HydrophobicContact CG2-CG2 3.99Å; H113-V191 PolarHBondContact O-N 3.38Å; L114-V191 WeakPolarHBondContact CA-O 3.35Å; L114-V191 HydrophobicContact CD1-CB 4.3Å; L114-V191 HydrophobicContact CD1-CG1 4.39Å; L114-V191 HydrophobicContact CG-CB 4.18Å; L114-V191 HydrophobicContact CG-CG1 4.48Å; I115-V191 PolarHBondContact N-O 3.26Å; L189-V191 HydrophobicContact CD1-CG2 3.72Å; V191-L193 HydrophobicContact CG1-CD1 3.76Å; V191-L193 HydrophobicContact CG1-CG 4.23Å; V191-I219 HydrophobicContact CG2-CD1 4.32Å; V191-I221 HydrophobicContact CG1-CD1 3.33Å; V191-I221 HydrophobicContact CG1-CG1 4.03Å
192	C	98.9	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	106.3	-173.8	-174.1	0	0	0	0	110.8	I115 V171 V218 I219 F220 I221	I115-C192 HydrophobicContact CG2-CB 4.17Å; V171-C192 VanDerWaalsContact CA-SG 3.54Å; C192-V218 HydrophobicContact CB-CG2 3.81Å; C192-I219 PolarHBondContact N-O 2.94Å; C192-F220 HydrophobicContact CB-CD1 4.17Å; C192-F220 HydrophobicContact CB-CE1 4.48Å; C192-I221 PolarHBondContact O-N 2.63Å
193	L	98.9	Very high	98.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	144.3	-171.8	-60.4	102.1	0	0	0	113.1	I104 L114 I115 Y123 Q170 V191 I221 E223	I104-L193 HydrophobicContact CD1-CD2 3.9Å; L114-L193 HydrophobicContact CD1-CD1 4.14Å; L114-L193 HydrophobicContact CD2-CD1 3.68Å; L114-L193 HydrophobicContact CG-CD1 3.73Å; I115-L193 VanDerWaalsContact O-CD1 3.3Å; I115-L193 WeakPolarHBondContact O-CD1 3.23Å; I115-L193 PolarHBondContact O-N 2.92Å; Y123-L193 HydrophobicContact CE1-CD1 4.4Å; Y123-L193 HydrophobicContact CE1-CD2 4.11Å; Y123-L193 HydrophobicContact CE2-CD2 3.89Å; Y123-L193 VanDerWaalsContact CZ-CD2 3.41Å; Y123-L193 WeakPolarHBondContact OH-CD2 3.28Å; Q170-L193 WeakPolarHBondContact CG-O 3.35Å; Q170-L193 PolarHBondContact NE2-O 2.65Å; V191-L193 HydrophobicContact CG1-CD1 3.76Å; V191-L193 HydrophobicContact CG1-CG 4.23Å; L193-I221 CarbonylContact C-O 3.56Å; L193-I221 WeakPolarHBondContact CA-O 3.46Å; L193-I221 HydrophobicContact CD2-CB 4.25Å; L193-I221 HydrophobicContact CD2-CD1 4.49Å; L193-I221 HydrophobicContact CD2-CG2 4.2Å; L193-I221 HydrophobicContact CG-CB 4.06Å; L193-I221 HydrophobicContact CG-CD1 4.49Å; L193-E223 HydrophobicContact CD2-CG 4.04Å
194	Y	98.9	Very high	98.3	Very high	3 Å²	3	34.7 Å²	34.7	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	157.3	171	58.1	-85.8	0	0	0	110.2	V171 A198 A199 I204 Y208 F220 I221 C222 E223	V171-Y194 HydrophobicContact CG2-CD1 3.7Å; V171-Y194 HydrophobicContact CG2-CG 4.02Å; Y194-A198 HydrophobicContact CD2-CB 4.48Å; Y194-A199 HydrophobicContact CD2-CB 4.11Å; Y194-A199 HydrophobicContact CE2-CB 3.81Å; Y194-I204 HydrophobicContact CD2-CD1 4.01Å; Y194-I204 HydrophobicContact CE2-CD1 4.49Å; Y194-I204 HydrophobicContact CG-CD1 4.08Å; Y194-Y208 VanDerWaalsContact CZ-OH 3.26Å; Y194-Y208 PolarHBondContact OH-OH 3.42Å; Y194-F220 HydrophobicContact CE1-CB 4.1Å; Y194-I221 WeakPolarHBondContact CD1-O 3.38Å; Y194-I221 PolarHBondContact N-O 3.33Å; Y194-C222 HydrophobicContact CD2-CB 4.3Å; Y194-C222 HydrophobicContact CE2-CB 3.57Å; Y194-C222 CarbonylContact O-C 3.06Å; Y194-C222 VanDerWaalsContact O-CA 3.27Å; Y194-C222 WeakPolarHBondContact O-CA 3.32Å; Y194-E223 PolarHBondContact O-N 3.43Å
195	G	98.9	Very high	98.4	Very high	22 Å²	22	30.2 Å²	30.2	23%	0.227	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	169.1	178.4	0	0	0	0	0	113.5	G197 A198 A199 E223	G195-G197 VanDerWaalsContact C-N 3.35Å; G195-G197 PolarHBondContact O-N 2.76Å; G195-A198 WeakPolarHBondContact O-CA 3.47Å; G195-A198 VanDerWaalsContact O-CB 3.3Å; G195-A198 WeakPolarHBondContact O-CB 3.27Å; G195-A198 PolarHBondContact O-N 3.41Å; G195-A199 PolarHBondContact O-N 2.6Å; G195-A199 VanDerWaalsContact O-N 3.12Å; G195-E223 WeakPolarHBondContact CA-O 3.47Å
196	D	98.9	Very high	98.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.011	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-53.4	-45.8	176.3	52.9	-89.3	0	0	0	113.3	A198 A199 E223 N224 N225 Y227 G228 V233 Y242	D196-A198 VanDerWaalsContact C-N 3.26Å; D196-A198 PolarHBondContact O-N 3.46Å; D196-A199 VanDerWaalsContact O-CB 3.26Å; D196-A199 WeakPolarHBondContact O-CB 3.24Å; D196-A199 PolarHBondContact O-N 3.02Å; D196-A199 VanDerWaalsContact O-N 3.13Å; D196-E223 PolarHBondContact N-O 3.43Å; D196-N224 HydrophobicContact CB-CB 4.36Å; D196-N225 PolarHBondContact OD1-N 2.9Å; D196-N225 VanDerWaalsContact OD1-N 3.1Å; D196-N225 PolarHBondContact OD1-OD1 3.17Å; D196-Y227 VanDerWaalsContact OD2-C 3.26Å; D196-Y227 PolarHBondContact OD2-N 3.1Å; D196-G228 PolarHBondContact OD2-N 2.87Å; D196-V233 HydrophobicContact CB-CG1 3.78Å; D196-Y242 HydrophobicContact CB-CE1 4.24Å; D196-Y242 HydrophobicContact CB-CE2 3.95Å
197	G	98.5	Very high	98.7	Very high	30 Å²	30	31.4 Å²	31.4	31%	0.309	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-64	-28.5	174.5	0	0	0	0	0	114.2	G195 A199	G195-G197 VanDerWaalsContact C-N 3.35Å; G195-G197 PolarHBondContact O-N 2.76Å; G197-A199 VanDerWaalsContact C-N 3.34Å
198	A	98.8	Very high	98.8	Very high	7 Å²	7	26.3 Å²	26.3	6%	0.058	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-74.6	-26	176	0	0	0	0	0	112.1	V167 Y194 G195 D196 N200 Q201 I204	V167-A198 HydrophobicContact CG1-CB 3.55Å; Y194-A198 HydrophobicContact CD2-CB 4.48Å; G195-A198 WeakPolarHBondContact O-CA 3.47Å; G195-A198 VanDerWaalsContact O-CB 3.3Å; G195-A198 WeakPolarHBondContact O-CB 3.27Å; G195-A198 PolarHBondContact O-N 3.41Å; D196-A198 VanDerWaalsContact C-N 3.26Å; D196-A198 PolarHBondContact O-N 3.46Å; A198-N200 PolarHBondContact O-N 3.45Å; A198-Q201 VanDerWaalsContact O-CB 3.27Å; A198-Q201 WeakPolarHBondContact O-CB 3.17Å; A198-Q201 WeakPolarHBondContact O-CG 3.49Å; A198-Q201 PolarHBondContact O-N 3.46Å; A198-I204 WeakPolarHBondContact O-CD1 3.4Å
199	A	98.8	Very high	98.9	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.017	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-62.4	-5	-175.1	0	0	0	0	0	114.9	Y194 G195 D196 G197 F205 Y242	Y194-A199 HydrophobicContact CD2-CB 4.11Å; Y194-A199 HydrophobicContact CE2-CB 3.81Å; G195-A199 PolarHBondContact O-N 2.6Å; G195-A199 VanDerWaalsContact O-N 3.12Å; D196-A199 VanDerWaalsContact O-CB 3.26Å; D196-A199 WeakPolarHBondContact O-CB 3.24Å; D196-A199 PolarHBondContact O-N 3.02Å; D196-A199 VanDerWaalsContact O-N 3.13Å; G197-A199 VanDerWaalsContact C-N 3.34Å; A199-F205 WeakPolarHBondContact O-CE2 3.39Å; A199-F205 WeakPolarHBondContact O-CZ 3.34Å; A199-Y242 HydrophobicContact CB-CD1 3.55Å; A199-Y242 HydrophobicContact CB-CE1 3.72Å
200	N	98.8	Very high	98.9	Very high	61 Å²	61	31.9 Å²	31.9	33%	0.326	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-103.1	5.4	174.4	-61.3	-42.2	0	0	0	113.5	A198 A236 R245	A198-N200 PolarHBondContact O-N 3.45Å; N200-A236 PolarHBondContact ND2-O 3.35Å; N200-R245 PolarHBondContact OD1-NH1 3.31Å; N200-R245 PolarHBondContact OD1-NH2 3.24Å
201	Q	98.9	Very high	98.9	Very high	76 Å²	76	31.9 Å²	31.9	36%	0.355	18%	0.181	S	C	.	.			trans	-72.4	128.2	175.6	-74.6	-71.3	-26.6	0	0	111.1	V167 A198 Q203 I204 F205	V167-Q201 HydrophobicContact CG1-CG 4.26Å; A198-Q201 VanDerWaalsContact O-CB 3.27Å; A198-Q201 WeakPolarHBondContact O-CB 3.17Å; A198-Q201 WeakPolarHBondContact O-CG 3.49Å; A198-Q201 PolarHBondContact O-N 3.46Å; Q201-Q203 VanDerWaalsContact C-N 3.31Å; Q201-Q203 HydrophobicContact CB-CG 4.33Å; Q201-Q203 PolarHBondContact O-N 2.99Å; Q201-I204 HydrophobicContact CB-CD1 4.12Å; Q201-I204 HydrophobicContact CB-CG1 4.05Å; Q201-I204 WeakPolarHBondContact O-CB 3.43Å; Q201-I204 PolarHBondContact O-N 3.09Å; Q201-F205 WeakPolarHBondContact O-CD2 3.46Å
202	G	98.8	Very high	98.9	Very high	46 Å²	46	33.3 Å²	33.3	47%	0.474	19%	0.193	S	C	.	.	H	α-helix	trans	-56.3	-42	-177	0	0	0	0	0	113.7	I204 F205 E206	G202-I204 PolarHBondContact O-N 3.31Å; G202-I204 VanDerWaalsContact O-N 3.08Å; G202-F205 PolarHBondContact O-N 3.08Å; G202-E206 PolarHBondContact O-N 2.67Å
203	Q	98.8	Very high	98.9	Very high	52 Å²	52	39 Å²	39	24%	0.243	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-23.6	178.7	67	-173	-46.6	0	0	114	P172 Q201 T207	P172-Q203 HydrophobicContact CG-CB 4.1Å; P172-Q203 HydrophobicContact CG-CG 4.18Å; Q201-Q203 VanDerWaalsContact C-N 3.31Å; Q201-Q203 HydrophobicContact CB-CG 4.33Å; Q201-Q203 PolarHBondContact O-N 2.99Å; Q203-T207 VanDerWaalsContact O-CB 3.31Å; Q203-T207 WeakPolarHBondContact O-CB 3.35Å; Q203-T207 PolarHBondContact O-N 3.06Å; Q203-T207 PolarHBondContact O-OG1 3.31Å
204	I	98.9	Very high	98.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-43	174.7	-63.7	-173.9	0	0	0	110.2	V171 Y194 A198 Q201 G202 T207 Y208	V171-I204 HydrophobicContact CB-CG1 3.91Å; V171-I204 HydrophobicContact CG1-CB 4.36Å; V171-I204 HydrophobicContact CG1-CG1 4.04Å; V171-I204 HydrophobicContact CG1-CG2 4.21Å; V171-I204 HydrophobicContact CG2-CD1 3.91Å; V171-I204 HydrophobicContact CG2-CG1 3.86Å; Y194-I204 HydrophobicContact CD2-CD1 4.01Å; Y194-I204 HydrophobicContact CE2-CD1 4.49Å; Y194-I204 HydrophobicContact CG-CD1 4.08Å; A198-I204 WeakPolarHBondContact O-CD1 3.4Å; Q201-I204 HydrophobicContact CB-CD1 4.12Å; Q201-I204 HydrophobicContact CB-CG1 4.05Å; Q201-I204 WeakPolarHBondContact O-CB 3.43Å; Q201-I204 PolarHBondContact O-N 3.09Å; G202-I204 PolarHBondContact O-N 3.31Å; G202-I204 VanDerWaalsContact O-N 3.08Å; I204-T207 WeakPolarHBondContact O-CB 3.1Å; I204-T207 PolarHBondContact O-N 3.41Å; I204-Y208 HydrophobicContact CG2-CD1 4.34Å; I204-Y208 HydrophobicContact CG2-CD2 4.24Å; I204-Y208 HydrophobicContact CG2-CE1 3.7Å; I204-Y208 HydrophobicContact CG2-CE2 3.6Å; I204-Y208 WeakPolarHBondContact CG2-OH 3.32Å; I204-Y208 PolarHBondContact O-N 3.05Å
205	F	98.9	Very high	98.9	Very high	67 Å²	67	50.4 Å²	50.4	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-71.2	-37.3	179.6	-63.2	-89.5	0	0	0	112	A199 Q201 G202 T207 Y208 N209 R245	A199-F205 WeakPolarHBondContact O-CE2 3.39Å; A199-F205 WeakPolarHBondContact O-CZ 3.34Å; Q201-F205 WeakPolarHBondContact O-CD2 3.46Å; G202-F205 PolarHBondContact O-N 3.08Å; F205-T207 VanDerWaalsContact C-N 3.26Å; F205-T207 PolarHBondContact O-N 3.04Å; F205-Y208 HydrophobicContact CD1-CD2 4.17Å; F205-Y208 HydrophobicContact CD1-CE2 4.4Å; F205-Y208 HydrophobicContact CE1-CE2 4.38Å; F205-Y208 PolarHBondContact O-N 3.2Å; F205-N209 PolarHBondContact O-N 3.33Å; F205-N209 VanDerWaalsContact O-N 3.14Å; F205-R245 HydrophobicContact CE1-CB 4.32Å; F205-R245 WeakPolarHBondContact CE1-O 3.26Å; F205-R245 HydrophobicContact CZ-CB 4.47Å; F205-R245 VanDerWaalsContact CZ-NH2 3.27Å
206	E	98.9	Very high	98.9	Very high	133 Å²	133	49.4 Å²	49.4	62%	0.621	26%	0.259	S	S	*	.	H	α-helix	trans	-57.5	-44.3	169.1	-64.4	178.9	174.6	0	0	110.9	G202 N209 M210	G202-E206 PolarHBondContact O-N 2.67Å; E206-N209 PolarHBondContact O-N 3.34Å; E206-M210 PolarHBondContact O-N 2.85Å
207	T	98.9	Very high	98.9	Very high	2 Å²	2	50 Å²	50	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-66.2	-42.3	179.3	-58.7	0	0	0	0	112	V171 P172 A175 Q203 I204 F205 N209 M210 A211 F220	V171-T207 HydrophobicContact CG1-CG2 4.06Å; P172-T207 WeakPolarHBondContact CA-OG1 3.39Å; P172-T207 WeakPolarHBondContact CG-OG1 3.37Å; A175-T207 HydrophobicContact CB-CG2 3.33Å; Q203-T207 VanDerWaalsContact O-CB 3.31Å; Q203-T207 WeakPolarHBondContact O-CB 3.35Å; Q203-T207 PolarHBondContact O-N 3.06Å; Q203-T207 PolarHBondContact O-OG1 3.31Å; I204-T207 WeakPolarHBondContact O-CB 3.1Å; I204-T207 PolarHBondContact O-N 3.41Å; F205-T207 VanDerWaalsContact C-N 3.26Å; F205-T207 PolarHBondContact O-N 3.04Å; T207-N209 VanDerWaalsContact C-N 3.32Å; T207-N209 PolarHBondContact O-N 3.12Å; T207-M210 PolarHBondContact O-N 3.38Å; T207-A211 WeakPolarHBondContact O-CB 3.34Å; T207-A211 PolarHBondContact O-N 3.44Å; T207-F220 HydrophobicContact CG2-CE1 3.98Å; T207-F220 HydrophobicContact CG2-CZ 3.89Å
208	Y	98.9	Very high	98.9	Very high	3 Å²	3	48.6 Å²	48.6	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-48.5	174.7	-69.7	-21.5	0	0	0	111.5	Y194 I204 F205 M210 A211 A212 F220 I249 L281	Y194-Y208 VanDerWaalsContact CZ-OH 3.26Å; Y194-Y208 PolarHBondContact OH-OH 3.42Å; I204-Y208 HydrophobicContact CG2-CD1 4.34Å; I204-Y208 HydrophobicContact CG2-CD2 4.24Å; I204-Y208 HydrophobicContact CG2-CE1 3.7Å; I204-Y208 HydrophobicContact CG2-CE2 3.6Å; I204-Y208 WeakPolarHBondContact CG2-OH 3.32Å; I204-Y208 PolarHBondContact O-N 3.05Å; F205-Y208 HydrophobicContact CD1-CD2 4.17Å; F205-Y208 HydrophobicContact CD1-CE2 4.4Å; F205-Y208 HydrophobicContact CE1-CE2 4.38Å; F205-Y208 PolarHBondContact O-N 3.2Å; Y208-M210 PolarHBondContact O-N 2.95Å; Y208-A211 PolarHBondContact O-N 3.26Å; Y208-A212 WeakPolarHBondContact O-CB 3.2Å; Y208-A212 PolarHBondContact O-N 3.06Å; Y208-F220 HydrophobicContact CD1-CD1 4.4Å; Y208-F220 AromaticContact CD1-CD2 3.77Å; Y208-F220 HydrophobicContact CD1-CD2 3.77Å; Y208-F220 HydrophobicContact CD1-CE1 4.39Å; Y208-F220 AromaticContact CD1-CE2 3.74Å; Y208-F220 HydrophobicContact CD1-CE2 3.74Å; Y208-F220 HydrophobicContact CD1-CG 4.1Å; Y208-F220 HydrophobicContact CD1-CZ 4.08Å; Y208-F220 HydrophobicContact CE1-CB 4Å; Y208-F220 AromaticContact CE1-CD1 3.97Å; Y208-F220 HydrophobicContact CE1-CD1 3.97Å; Y208-F220 AromaticContact CE1-CD2 3.74Å; Y208-F220 HydrophobicContact CE1-CD2 3.74Å; Y208-F220 HydrophobicContact CE1-CE1 4.38Å; Y208-F220 HydrophobicContact CE1-CE2 4.15Å; Y208-F220 AromaticContact CE1-CG 3.63Å; Y208-F220 HydrophobicContact CE1-CG 3.63Å; Y208-F220 HydrophobicContact CE1-CZ 4.46Å; Y208-I249 HydrophobicContact CD1-CD1 3.82Å; Y208-I249 HydrophobicContact CG-CD1 3.84Å; Y208-L281 HydrophobicContact CD1-CD1 4.28Å; Y208-L281 HydrophobicContact CE1-CD1 3.88Å; Y208-L281 HydrophobicContact CE1-CG 4.42Å; Y208-L281 HydrophobicContact CE2-CD2 4.35Å
209	N	98.9	Very high	98.9	Very high	89 Å²	89	48.3 Å²	48.3	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-57.8	-50.4	179.6	179.2	62.1	0	0	0	111.8	F205 E206 T207 A212 L213 F248	F205-N209 PolarHBondContact O-N 3.33Å; F205-N209 VanDerWaalsContact O-N 3.14Å; E206-N209 PolarHBondContact O-N 3.34Å; T207-N209 VanDerWaalsContact C-N 3.32Å; T207-N209 PolarHBondContact O-N 3.12Å; N209-A212 PolarHBondContact O-N 3.34Å; N209-L213 WeakPolarHBondContact O-CB 3.48Å; N209-L213 PolarHBondContact O-N 2.93Å; N209-F248 HydrophobicContact CB-CZ 4.08Å
210	M	98.9	Very high	98.9	Very high	74 Å²	74	48.2 Å²	48.2	37%	0.365	25%	0.245	S	C	.	.	H	α-helix	trans	-65.4	-42.2	178.7	-69.4	-173.2	-69	0	0	112.7	E206 T207 Y208 A212 L213 W214	E206-M210 PolarHBondContact O-N 2.85Å; T207-M210 PolarHBondContact O-N 3.38Å; Y208-M210 PolarHBondContact O-N 2.95Å; M210-A212 VanDerWaalsContact C-N 3.34Å; M210-A212 PolarHBondContact O-N 3.23Å; M210-L213 PolarHBondContact O-N 3Å; M210-W214 HydrophobicContact CB-CE3 4.17Å; M210-W214 HydrophobicContact CB-CH2 4.21Å; M210-W214 HydrophobicContact CB-CZ3 3.97Å; M210-W214 HydrophobicContact CG-CH2 4.19Å; M210-W214 HydrophobicContact CG-CZ3 4.42Å; M210-W214 WeakPolarHBondContact O-CB 3.29Å; M210-W214 PolarHBondContact O-N 3.43Å; M210-W214 HydrophobicContact SD-CH2 3.79Å; M210-W214 HydrophobicContact SD-CZ3 4.18Å
211	A	98.9	Very high	98.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.1	-41.1	-179.7	0	0	0	0	0	111.9	T207 Y208 K215 L216 V218 F220 P279	T207-A211 WeakPolarHBondContact O-CB 3.34Å; T207-A211 PolarHBondContact O-N 3.44Å; Y208-A211 PolarHBondContact O-N 3.26Å; A211-K215 WeakPolarHBondContact O-CA 3.43Å; A211-K215 PolarHBondContact O-N 3Å; A211-L216 HydrophobicContact CB-CB 4.34Å; A211-L216 HydrophobicContact CB-CD1 4.16Å; A211-L216 HydrophobicContact CB-CG 4.39Å; A211-L216 PolarHBondContact O-N 3.09Å; A211-V218 HydrophobicContact CB-CG1 3.98Å; A211-F220 HydrophobicContact CB-CE2 3.79Å; A211-F220 HydrophobicContact CB-CZ 3.76Å; A211-P279 HydrophobicContact CB-CB 4.22Å; A211-P279 HydrophobicContact CB-CG 4.16Å; A211-P279 WeakPolarHBondContact O-CD 3.38Å
212	A	98.9	Very high	98.9	Very high	30 Å²	30	41.7 Å²	41.7	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-48.2	175.4	0	0	0	0	0	111.3	Y208 N209 M210 W214 K215 F248 I249 P279	Y208-A212 WeakPolarHBondContact O-CB 3.2Å; Y208-A212 PolarHBondContact O-N 3.06Å; N209-A212 PolarHBondContact O-N 3.34Å; M210-A212 VanDerWaalsContact C-N 3.34Å; M210-A212 PolarHBondContact O-N 3.23Å; A212-W214 PolarHBondContact O-N 2.75Å; A212-K215 PolarHBondContact O-N 3.42Å; A212-F248 HydrophobicContact CB-CD2 3.66Å; A212-F248 HydrophobicContact CB-CE2 3.59Å; A212-I249 HydrophobicContact CB-CD1 4.39Å; A212-I249 HydrophobicContact CB-CG1 4.05Å; A212-P279 HydrophobicContact CB-CG 4.22Å
213	L	98.9	Very high	98.9	Very high	120 Å²	120	40.1 Å²	40.1	63%	0.628	19%	0.193	S	C	*	.	H	α-helix	trans	-54.7	-42.7	178.6	179.6	64.4	0	0	0	111.8	N209 M210	N209-L213 WeakPolarHBondContact O-CB 3.48Å; N209-L213 PolarHBondContact O-N 2.93Å; M210-L213 PolarHBondContact O-N 3Å
214	W	98.9	Very high	98.9	Very high	114 Å²	114	38.2 Å²	38.2	43%	0.432	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	5.2	-178.9	-57.9	-26.8	0	0	0	113.7	K182 M210 A212 L216	K182-W214 PolarHBondContact NZ-O 3.44Å; M210-W214 HydrophobicContact CB-CE3 4.17Å; M210-W214 HydrophobicContact CB-CH2 4.21Å; M210-W214 HydrophobicContact CB-CZ3 3.97Å; M210-W214 HydrophobicContact CG-CH2 4.19Å; M210-W214 HydrophobicContact CG-CZ3 4.42Å; M210-W214 WeakPolarHBondContact O-CB 3.29Å; M210-W214 PolarHBondContact O-N 3.43Å; M210-W214 HydrophobicContact SD-CH2 3.79Å; M210-W214 HydrophobicContact SD-CZ3 4.18Å; A212-W214 PolarHBondContact O-N 2.75Å; W214-L216 VanDerWaalsContact C-N 3.31Å; W214-L216 HydrophobicContact CB-CD2 3.69Å; W214-L216 HydrophobicContact CB-CG 4.02Å; W214-L216 HydrophobicContact CE3-CD1 4.27Å; W214-L216 PolarHBondContact O-N 3.49Å
215	K	98.8	Very high	98.9	Very high	128 Å²	128	38.8 Å²	38.8	56%	0.557	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	54.7	-177	-57.9	-175.1	177.1	-172.9	0	111.9	A211 A212	A211-K215 WeakPolarHBondContact O-CA 3.43Å; A211-K215 PolarHBondContact O-N 3Å; A212-K215 PolarHBondContact O-N 3.42Å
216	L	98.9	Very high	98.9	Very high	2 Å²	2	41 Å²	41	1%	0.01	19%	0.194	C	C	.	.			trans	-74.2	142.8	-178.6	-58.9	-172.5	0	0	0	111.1	A175 A178 L179 K182 A211 W214 V218 G278 P279	A175-L216 HydrophobicContact CB-CD1 4.29Å; A175-L216 WeakPolarHBondContact O-CD1 3.37Å; A178-L216 HydrophobicContact CB-CB 4.2Å; L179-L216 HydrophobicContact CB-CD1 4.2Å; L179-L216 HydrophobicContact CB-CD2 4.1Å; L179-L216 HydrophobicContact CD1-CD2 3.83Å; K182-L216 HydrophobicContact CD-CD2 4.21Å; A211-L216 HydrophobicContact CB-CB 4.34Å; A211-L216 HydrophobicContact CB-CD1 4.16Å; A211-L216 HydrophobicContact CB-CG 4.39Å; A211-L216 PolarHBondContact O-N 3.09Å; W214-L216 VanDerWaalsContact C-N 3.31Å; W214-L216 HydrophobicContact CB-CD2 3.69Å; W214-L216 HydrophobicContact CB-CG 4.02Å; W214-L216 HydrophobicContact CE3-CD1 4.27Å; W214-L216 PolarHBondContact O-N 3.49Å; L216-V218 HydrophobicContact CB-CG1 4.11Å; L216-V218 PolarHBondContact O-N 3.2Å; L216-G278 CarbonylContact O-C 3.55Å; L216-P279 VanDerWaalsContact O-N 3.13Å
217	P	98.8	Very high	98.9	Very high	15 Å²	15	35.6 Å²	35.6	10%	0.097	17%	0.168	C	C	.	.			trans	-78.9	70.1	175.9	34	-36.2	0	0	0	110.6	A178 C181 K182 L189 C190 C273	A178-P217 HydrophobicContact CB-CG 4.35Å; A178-P217 WeakPolarHBondContact O-CD 3.44Å; C181-P217 HydrophobicContact CB-CG 4.18Å; K182-P217 HydrophobicContact CB-CG 4.35Å; L189-P217 WeakPolarHBondContact CA-O 3.33Å; L189-P217 HydrophobicContact CB-CB 4.19Å; L189-P217 WeakPolarHBondContact CB-O 3.08Å; C190-P217 PolarHBondContact N-O 2.99Å; P217-C273 HydrophobicContact CB-CB 4.15Å
218	V	98.9	Very high	98.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131	-179.3	58.9	0	0	0	0	111.6	A178 C190 C192 A211 L216 F220 P279 I280	A178-V218 HydrophobicContact CB-CB 3.69Å; A178-V218 HydrophobicContact CB-CG1 4.46Å; A178-V218 HydrophobicContact CB-CG2 4.47Å; C190-V218 CarbonylContact O-C 3.5Å; C190-V218 VanDerWaalsContact O-CA 3.3Å; C190-V218 WeakPolarHBondContact O-CA 3.39Å; C192-V218 HydrophobicContact CB-CG2 3.81Å; A211-V218 HydrophobicContact CB-CG1 3.98Å; L216-V218 HydrophobicContact CB-CG1 4.11Å; L216-V218 PolarHBondContact O-N 3.2Å; V218-F220 HydrophobicContact CB-CZ 4.35Å; V218-F220 HydrophobicContact CG1-CD2 4.16Å; V218-F220 HydrophobicContact CG1-CE1 4.23Å; V218-F220 HydrophobicContact CG1-CE2 3.45Å; V218-F220 VanDerWaalsContact CG1-CE2 3.45Å; V218-F220 HydrophobicContact CG1-CZ 3.48Å; V218-F220 VanDerWaalsContact CG1-CZ 3.48Å; V218-F220 HydrophobicContact CG2-CD1 4.05Å; V218-F220 HydrophobicContact CG2-CE1 3.76Å; V218-F220 HydrophobicContact CG2-CE2 4.3Å; V218-F220 HydrophobicContact CG2-CG 4.42Å; V218-F220 HydrophobicContact CG2-CZ 3.9Å; V218-P279 HydrophobicContact CG1-CB 3.67Å; V218-P279 VanDerWaalsContact O-CA 3.23Å; V218-P279 WeakPolarHBondContact O-CA 3.4Å; V218-I280 PolarHBondContact O-N 2.93Å
219	I	98.9	Very high	98.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	110.7	170.6	-53.5	169	0	0	0	107	L189 C190 V191 C192 I221 A269 A270 I280 M282	L189-I219 HydrophobicContact CD1-CD1 4.02Å; L189-I219 HydrophobicContact CD2-CD1 4.01Å; C190-I219 PolarHBondContact O-N 3.21Å; V191-I219 HydrophobicContact CG2-CD1 4.32Å; C192-I219 PolarHBondContact N-O 2.94Å; I219-I221 HydrophobicContact CG2-CD1 4.19Å; I219-I221 HydrophobicContact CG2-CG1 3.78Å; I219-A269 HydrophobicContact CD1-CB 3.87Å; I219-A269 HydrophobicContact CG1-CB 4.11Å; I219-A269 HydrophobicContact CG2-CB 3.98Å; I219-A270 HydrophobicContact CD1-CB 4.23Å; I219-I280 HydrophobicContact CB-CG2 4.4Å; I219-I280 HydrophobicContact CG1-CG2 4.08Å; I219-I280 HydrophobicContact CG2-CG2 4.17Å; I219-M282 HydrophobicContact CG2-CB 4.48Å; I219-M282 HydrophobicContact CG2-CE 4.48Å
220	F	99	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.6	175.5	-68.8	-65.1	0	0	0	109.5	V171 A175 C192 Y194 T207 Y208 A211 V218 I249 P279 I280 L281 M282	V171-F220 HydrophobicContact CG1-CD1 4.03Å; V171-F220 HydrophobicContact CG1-CE1 3.79Å; A175-F220 HydrophobicContact CB-CZ 4.47Å; C192-F220 HydrophobicContact CB-CD1 4.17Å; C192-F220 HydrophobicContact CB-CE1 4.48Å; Y194-F220 HydrophobicContact CE1-CB 4.1Å; T207-F220 HydrophobicContact CG2-CE1 3.98Å; T207-F220 HydrophobicContact CG2-CZ 3.89Å; Y208-F220 HydrophobicContact CD1-CD1 4.4Å; Y208-F220 AromaticContact CD1-CD2 3.77Å; Y208-F220 HydrophobicContact CD1-CD2 3.77Å; Y208-F220 HydrophobicContact CD1-CE1 4.39Å; Y208-F220 AromaticContact CD1-CE2 3.74Å; Y208-F220 HydrophobicContact CD1-CE2 3.74Å; Y208-F220 HydrophobicContact CD1-CG 4.1Å; Y208-F220 HydrophobicContact CD1-CZ 4.08Å; Y208-F220 HydrophobicContact CE1-CB 4Å; Y208-F220 AromaticContact CE1-CD1 3.97Å; Y208-F220 HydrophobicContact CE1-CD1 3.97Å; Y208-F220 AromaticContact CE1-CD2 3.74Å; Y208-F220 HydrophobicContact CE1-CD2 3.74Å; Y208-F220 HydrophobicContact CE1-CE1 4.38Å; Y208-F220 HydrophobicContact CE1-CE2 4.15Å; Y208-F220 AromaticContact CE1-CG 3.63Å; Y208-F220 HydrophobicContact CE1-CG 3.63Å; Y208-F220 HydrophobicContact CE1-CZ 4.46Å; A211-F220 HydrophobicContact CB-CE2 3.79Å; A211-F220 HydrophobicContact CB-CZ 3.76Å; V218-F220 HydrophobicContact CB-CZ 4.35Å; V218-F220 HydrophobicContact CG1-CD2 4.16Å; V218-F220 HydrophobicContact CG1-CE1 4.23Å; V218-F220 HydrophobicContact CG1-CE2 3.45Å; V218-F220 VanDerWaalsContact CG1-CE2 3.45Å; V218-F220 HydrophobicContact CG1-CZ 3.48Å; V218-F220 VanDerWaalsContact CG1-CZ 3.48Å; V218-F220 HydrophobicContact CG2-CD1 4.05Å; V218-F220 HydrophobicContact CG2-CE1 3.76Å; V218-F220 HydrophobicContact CG2-CE2 4.3Å; V218-F220 HydrophobicContact CG2-CG 4.42Å; V218-F220 HydrophobicContact CG2-CZ 3.9Å; F220-I249 HydrophobicContact CD2-CD1 4.39Å; F220-I249 HydrophobicContact CE2-CD1 4.21Å; F220-P279 HydrophobicContact CD2-CB 4.11Å; F220-P279 HydrophobicContact CE2-CB 3.76Å; F220-I280 PolarHBondContact N-O 3.22Å; F220-L281 HydrophobicContact CB-CD1 3.94Å; F220-L281 HydrophobicContact CB-CG 4.03Å; F220-L281 HydrophobicContact CD2-CD1 3.95Å; F220-L281 HydrophobicContact CG-CD1 4.36Å; F220-L281 CarbonylContact O-C 3.57Å; F220-L281 WeakPolarHBondContact O-CA 3.42Å; F220-M282 PolarHBondContact O-N 3Å
221	I	98.9	Very high	98.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.8	-177.3	-54.2	-173.9	0	0	0	110.8	I104 V191 C192 L193 Y194 I219 E223 M282 L284	I104-I221 HydrophobicContact CD1-CD1 3.54Å; I104-I221 HydrophobicContact CG1-CD1 4Å; V191-I221 HydrophobicContact CG1-CD1 3.33Å; V191-I221 HydrophobicContact CG1-CG1 4.03Å; C192-I221 PolarHBondContact O-N 2.63Å; L193-I221 CarbonylContact C-O 3.56Å; L193-I221 WeakPolarHBondContact CA-O 3.46Å; L193-I221 HydrophobicContact CD2-CB 4.25Å; L193-I221 HydrophobicContact CD2-CD1 4.49Å; L193-I221 HydrophobicContact CD2-CG2 4.2Å; L193-I221 HydrophobicContact CG-CB 4.06Å; L193-I221 HydrophobicContact CG-CD1 4.49Å; Y194-I221 WeakPolarHBondContact CD1-O 3.38Å; Y194-I221 PolarHBondContact N-O 3.33Å; I219-I221 HydrophobicContact CG2-CD1 4.19Å; I219-I221 HydrophobicContact CG2-CG1 3.78Å; I221-E223 HydrophobicContact CG2-CG 4.46Å; I221-M282 CarbonylContact C-O 3.38Å; I221-M282 VanDerWaalsContact CA-O 3.23Å; I221-M282 WeakPolarHBondContact CA-O 3.26Å; I221-M282 HydrophobicContact CD1-CE 3.34Å; I221-M282 HydrophobicContact CG1-CB 4.31Å; I221-M282 HydrophobicContact CG1-CE 3.81Å; I221-M282 HydrophobicContact CG2-CE 4.47Å; I221-L284 HydrophobicContact CG2-CD1 3.78Å; I221-L284 HydrophobicContact CG2-CG 3.72Å
222	C	98.9	Very high	98.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	107.8	167	-173.8	0	0	0	0	109.7	Y194 N224 M282 E283 L284	Y194-C222 HydrophobicContact CD2-CB 4.3Å; Y194-C222 HydrophobicContact CE2-CB 3.57Å; Y194-C222 CarbonylContact O-C 3.06Å; Y194-C222 VanDerWaalsContact O-CA 3.27Å; Y194-C222 WeakPolarHBondContact O-CA 3.32Å; C222-N224 PolarHBondContact O-N 2.97Å; C222-N224 VanDerWaalsContact O-N 3.15Å; C222-M282 PolarHBondContact N-O 2.92Å; C222-E283 WeakPolarHBondContact O-CA 3.49Å; C222-L284 PolarHBondContact O-N 3.32Å
223	E	98.9	Very high	98.8	Very high	12 Å²	12	37.7 Å²	37.7	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	93	167.9	-66.1	-170.5	147.3	0	0	109.2	Y94 Y123 L193 Y194 G195 D196 I221 N225	Y94-E223 PolarHBondContact OH-OE1 2.96Å; Y123-E223 WeakPolarHBondContact CE2-OE1 3.44Å; Y123-E223 PolarHBondContact OH-OE1 2.94Å; L193-E223 HydrophobicContact CD2-CG 4.04Å; Y194-E223 PolarHBondContact O-N 3.43Å; G195-E223 WeakPolarHBondContact CA-O 3.47Å; D196-E223 PolarHBondContact N-O 3.43Å; I221-E223 HydrophobicContact CG2-CG 4.46Å; E223-N225 PolarHBondContact O-N 2.85Å
224	N	98.9	Very high	98.8	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	97.2	180	179.8	5.8	0	0	0	109.5	D196 C222 R226 Y242 E283 L284 T286	D196-N224 HydrophobicContact CB-CB 4.36Å; C222-N224 PolarHBondContact O-N 2.97Å; C222-N224 VanDerWaalsContact O-N 3.15Å; N224-R226 VanDerWaalsContact C-N 3.32Å; N224-R226 WeakPolarHBondContact OD1-CA 3.44Å; N224-R226 PolarHBondContact OD1-N 3.21Å; N224-Y242 HydrophobicContact CB-CD2 4.23Å; N224-Y242 WeakPolarHBondContact ND2-CD2 3.31Å; N224-Y242 WeakPolarHBondContact ND2-CE2 3.18Å; N224-E283 HydrophobicContact CB-CG 4.06Å; N224-E283 PolarHBondContact ND2-OE1 3.07Å; N224-L284 PolarHBondContact N-O 3.48Å; N224-T286 PolarHBondContact O-N 3.26Å; N224-T286 VanDerWaalsContact O-O 3.12Å
225	N	98.8	Very high	98.8	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.07	20%	0.199	C	C	.	.			trans	-98.5	18	174.6	65.8	50.8	0	0	0	113	Q97 D196 E223 Y227 T286 R288	Q97-N225 VanDerWaalsContact OE1-CB 3.27Å; Q97-N225 PolarHBondContact OE1-ND2 3.45Å; Q97-N225 VanDerWaalsContact OE1-ND2 3.13Å; D196-N225 PolarHBondContact OD1-N 2.9Å; D196-N225 VanDerWaalsContact OD1-N 3.1Å; D196-N225 PolarHBondContact OD1-OD1 3.17Å; E223-N225 PolarHBondContact O-N 2.85Å; N225-Y227 WeakPolarHBondContact O-CD2 3.21Å; N225-Y227 PolarHBondContact O-N 3.19Å; N225-Y227 PolarHBondContact OD1-N 2.92Å; N225-Y227 PolarHBondContact OD1-O 2.86Å; N225-T286 WeakPolarHBondContact CA-O 3.39Å; N225-T286 HydrophobicContact CB-CG2 4.25Å; N225-R288 HydrophobicContact CB-CG 4.22Å; N225-R288 PolarHBondContact OD1-NE 3.04Å
226	R	98.8	Very high	98.8	Very high	112 Å²	112	37 Å²	37	42%	0.423	19%	0.188	S	C	.	.	S	Bend	trans	73	-9.3	179	-47.5	-174.5	-173.5	172.7	-4.1	116.3	N224 S232 V233 Y287 E306	N224-R226 VanDerWaalsContact C-N 3.32Å; N224-R226 WeakPolarHBondContact OD1-CA 3.44Å; N224-R226 PolarHBondContact OD1-N 3.21Å; R226-S232 WeakPolarHBondContact O-CA 3.46Å; R226-V233 PolarHBondContact O-N 3.44Å; R226-V233 VanDerWaalsContact O-N 3.12Å; R226-Y287 HydrophobicContact CG-CD2 4.39Å; R226-Y287 HydrophobicContact CG-CE2 4.49Å; R226-E306 IonicContact NH1-OE1 3.4Å
227	Y	98.9	Very high	98.7	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.082	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	109.7	-171.3	-58.9	-82.3	0	0	0	114.2	D196 N225 M229 T231 Y287 R288 Y301 R302 E306	D196-Y227 VanDerWaalsContact OD2-C 3.26Å; D196-Y227 PolarHBondContact OD2-N 3.1Å; N225-Y227 WeakPolarHBondContact O-CD2 3.21Å; N225-Y227 PolarHBondContact O-N 3.19Å; N225-Y227 PolarHBondContact OD1-N 2.92Å; N225-Y227 PolarHBondContact OD1-O 2.86Å; Y227-M229 PolarHBondContact O-N 3.45Å; Y227-M229 VanDerWaalsContact O-N 3.15Å; Y227-T231 WeakPolarHBondContact CA-O 2.89Å; Y227-Y287 HydrophobicContact CE2-CE2 4.19Å; Y227-R288 PolarHBondContact O-NH2 2.83Å; Y227-Y301 AromaticContact CD1-CD2 3.6Å; Y227-Y301 HydrophobicContact CD1-CD2 3.6Å; Y227-Y301 AromaticContact CD1-CE2 3.87Å; Y227-Y301 HydrophobicContact CD1-CE2 3.87Å; Y227-Y301 HydrophobicContact CD2-CE2 4.48Å; Y227-Y301 AromaticContact CE1-CD2 3.87Å; Y227-Y301 HydrophobicContact CE1-CD2 3.87Å; Y227-Y301 HydrophobicContact CE1-CE2 4.38Å; Y227-Y301 HydrophobicContact CG-CD2 4.15Å; Y227-Y301 AromaticContact CG-CE2 3.93Å; Y227-Y301 HydrophobicContact CG-CE2 3.93Å; Y227-R302 HydrophobicContact CE1-CB 4.15Å; Y227-R302 HydrophobicContact CE2-CB 4.22Å; Y227-R302 WeakPolarHBondContact OH-CB 3.13Å; Y227-E306 WeakPolarHBondContact CE2-OE1 3.1Å; Y227-E306 VanDerWaalsContact OH-CD 3.31Å; Y227-E306 PolarHBondContact OH-OE1 2.81Å; Y227-E306 PolarHBondContact OH-OE2 3.3Å
228	G	98.5	Very high	98.7	Very high	22 Å²	22	42.3 Å²	42.3	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	96.8	165.4	0	0	0	0	0	110.9	D196 G230 T231	D196-G228 PolarHBondContact OD2-N 2.87Å; G228-G230 PolarHBondContact O-N 3.13Å; G228-T231 PolarHBondContact N-O 3.01Å; G228-T231 PolarHBondContact O-N 3.13Å
229	M	98.3	Very high	98.7	Very high	120 Å²	120	45 Å²	45	59%	0.591	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-95.5	-168.5	-173.5	-177.4	-176.2	0	0	111.6	Y227 R288 H292 Y301	Y227-M229 PolarHBondContact O-N 3.45Å; Y227-M229 VanDerWaalsContact O-N 3.15Å; M229-R288 PolarHBondContact O-NH2 2.99Å; M229-H292 WeakPolarHBondContact CA-ND1 3.45Å; M229-H292 HydrophobicContact CB-CB 4.49Å; M229-H292 HydrophobicContact CG-CB 4.08Å; M229-Y301 PolarHBondContact O-OH 2.65Å
230	G	98	Very high	98.7	Very high	20 Å²	20	47.5 Å²	47.5	21%	0.206	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	10	176.2	0	0	0	0	0	114.2	G228 Y301	G228-G230 PolarHBondContact O-N 3.13Å; G230-Y301 WeakPolarHBondContact O-CB 3.43Å
231	T	98.8	Very high	98.7	Very high	53 Å²	53	49.5 Å²	49.5	33%	0.325	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.2	179.7	-51.7	0	0	0	0	109.3	Y227 G228 R235 A236	Y227-T231 WeakPolarHBondContact CA-O 2.89Å; G228-T231 PolarHBondContact N-O 3.01Å; G228-T231 PolarHBondContact O-N 3.13Å; T231-R235 HydrophobicContact CG2-CB 3.72Å; T231-A236 HydrophobicContact CG2-CB 3.93Å
232	S	98.8	Very high	98.7	Very high	20 Å²	20	49.6 Å²	49.6	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	157.8	176.8	78.4	0	0	0	0	111.4	R226 E234 R235 A236	R226-S232 WeakPolarHBondContact O-CA 3.46Å; S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 WeakPolarHBondContact CB-OE2 3.42Å; S232-E234 PolarHBondContact O-N 2.97Å; S232-E234 PolarHBondContact OG-OE2 3.34Å; S232-R235 PolarHBondContact O-N 3.21Å; S232-A236 PolarHBondContact O-N 2.87Å; S232-A236 VanDerWaalsContact O-N 3.13Å
233	V	98.8	Very high	98.7	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-37.4	-178.8	-66.3	0	0	0	0	113.1	D196 R226 R235 A236 A237 T240 Y242	D196-V233 HydrophobicContact CB-CG1 3.78Å; R226-V233 PolarHBondContact O-N 3.44Å; R226-V233 VanDerWaalsContact O-N 3.12Å; V233-R235 PolarHBondContact O-N 3.23Å; V233-A236 PolarHBondContact O-N 3.5Å; V233-A237 PolarHBondContact O-N 2.99Å; V233-T240 HydrophobicContact CB-CG2 3.91Å; V233-T240 HydrophobicContact CG2-CG2 3.92Å; V233-Y242 HydrophobicContact CB-CE2 4.15Å; V233-Y242 WeakPolarHBondContact CB-OH 3.39Å; V233-Y242 HydrophobicContact CG1-CE2 3.81Å; V233-Y242 WeakPolarHBondContact CG1-OH 3.41Å
234	E	98.7	Very high	98.7	Very high	131 Å²	131	52.9 Å²	52.9	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-66.8	-24.3	179.5	-53.6	75.2	-161.7	0	0	112.4	S232	S232-E234 VanDerWaalsContact C-N 3.26Å; S232-E234 WeakPolarHBondContact CB-OE2 3.42Å; S232-E234 PolarHBondContact O-N 2.97Å; S232-E234 PolarHBondContact OG-OE2 3.34Å
235	R	98.7	Very high	98.7	Very high	177 Å²	177	54.7 Å²	54.7	67%	0.668	30%	0.298	S	S	*	.	H	α-helix	trans	-92.7	-19.3	178.4	-66.7	174.2	58.1	-135.5	-8.3	112.8	T231 S232 V233	T231-R235 HydrophobicContact CG2-CB 3.72Å; S232-R235 PolarHBondContact O-N 3.21Å; V233-R235 PolarHBondContact O-N 3.23Å
236	A	98.6	Very high	98.7	Very high	41 Å²	41	54.1 Å²	54.1	34%	0.339	30%	0.296	S	S	.	.	H	α-helix	trans	-103.5	-30.3	-174.5	0	0	0	0	0	113.4	N200 T231 S232 V233	N200-A236 PolarHBondContact ND2-O 3.35Å; T231-A236 HydrophobicContact CG2-CB 3.93Å; S232-A236 PolarHBondContact O-N 2.87Å; S232-A236 VanDerWaalsContact O-N 3.13Å; V233-A236 PolarHBondContact O-N 3.5Å
237	A	98.7	Very high	98.6	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	31%	0.306	C	S	.	.			trans	-126.2	128.2	-176.2	0	0	0	0	0	110.9	V233 S239 Y242	V233-A237 PolarHBondContact O-N 2.99Å; A237-S239 WeakPolarHBondContact CB-O 3.37Å; A237-S239 PolarHBondContact O-N 3.14Å; A237-Y242 HydrophobicContact CB-CE1 4.28Å
238	A	98.8	Very high	98.6	Very high	121 Å²	121	59 Å²	59	100%	1	32%	0.323	S	S	*	.	S	Bend	trans	-63.9	-26.8	175.5	0	0	0	0	0	112.7
239	S	98.6	Very high	98.6	Very high	56 Å²	56	58 Å²	58	39%	0.392	31%	0.312	S	S	.	.			trans	-127.7	125.6	168	177.5	0	0	0	0	109	A237	A237-S239 WeakPolarHBondContact CB-O 3.37Å; A237-S239 PolarHBondContact O-N 3.14Å
240	T	98.8	Very high	98.6	Very high	54 Å²	54	53.4 Å²	53.4	33%	0.331	29%	0.291	S	S	.	.			trans	-94.7	8.7	179.9	54.9	0	0	0	0	113	V233 Y242	V233-T240 HydrophobicContact CB-CG2 3.91Å; V233-T240 HydrophobicContact CG2-CG2 3.92Å; T240-Y242 VanDerWaalsContact C-N 3.34Å; T240-Y242 VanDerWaalsContact O-CD2 3.32Å; T240-Y242 WeakPolarHBondContact O-CD2 3.47Å; T240-Y242 PolarHBondContact O-N 3.39Å; T240-Y242 VanDerWaalsContact O-N 3.14Å
241	D	98.8	Very high	98.7	Very high	42 Å²	42	52.4 Å²	52.4	23%	0.225	28%	0.281	C	S	.	.			trans	-83.1	75.2	170.5	-78.9	-23.4	0	0	0	109.9	F243 K244 R253	D241-F243 VanDerWaalsContact C-N 3.29Å; D241-F243 HydrophobicContact CB-CD1 4.27Å; D241-F243 HydrophobicContact CB-CE1 3.97Å; D241-F243 PolarHBondContact O-N 3.45Å; D241-K244 HydrophobicContact CB-CB 4.33Å; D241-K244 HydrophobicContact CB-CD 3.92Å; D241-K244 HydrophobicContact CB-CG 4.14Å; D241-K244 PolarHBondContact O-N 2.65Å; D241-K244 IonicContact OD2-NZ 2.77Å; D241-K244 PolarHBondContact OD2-NZ 2.91Å; D241-R253 IonicContact OD1-CZ 3.81Å; D241-R253 IonicContact OD1-NH1 2.78Å; D241-R253 PolarHBondContact OD1-NH1 2.94Å
242	Y	98.9	Very high	98.7	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-61.1	-35.6	-172.5	-65.9	-76.3	0	0	0	113.3	D196 A199 N224 V233 A237 T240 K244 R245 E283	D196-Y242 HydrophobicContact CB-CE1 4.24Å; D196-Y242 HydrophobicContact CB-CE2 3.95Å; A199-Y242 HydrophobicContact CB-CD1 3.55Å; A199-Y242 HydrophobicContact CB-CE1 3.72Å; N224-Y242 HydrophobicContact CB-CD2 4.23Å; N224-Y242 WeakPolarHBondContact ND2-CD2 3.31Å; N224-Y242 WeakPolarHBondContact ND2-CE2 3.18Å; V233-Y242 HydrophobicContact CB-CE2 4.15Å; V233-Y242 WeakPolarHBondContact CB-OH 3.39Å; V233-Y242 HydrophobicContact CG1-CE2 3.81Å; V233-Y242 WeakPolarHBondContact CG1-OH 3.41Å; A237-Y242 HydrophobicContact CB-CE1 4.28Å; T240-Y242 VanDerWaalsContact C-N 3.34Å; T240-Y242 VanDerWaalsContact O-CD2 3.32Å; T240-Y242 WeakPolarHBondContact O-CD2 3.47Å; T240-Y242 PolarHBondContact O-N 3.39Å; T240-Y242 VanDerWaalsContact O-N 3.14Å; Y242-K244 PolarHBondContact O-N 2.96Å; Y242-K244 VanDerWaalsContact O-N 3.11Å; Y242-R245 WeakPolarHBondContact O-CB 3.15Å; Y242-R245 WeakPolarHBondContact O-CG 3.39Å; Y242-R245 PolarHBondContact O-N 2.81Å; Y242-R245 VanDerWaalsContact O-N 3.12Å; Y242-E283 PolarHBondContact N-OE2 2.82Å; Y242-E283 VanDerWaalsContact N-OE2 3.14Å
243	F	98.9	Very high	98.7	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.018	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.9	-14.9	175.5	76.1	-72	0	0	0	114.8	D42 F44 D241 L252 R253 E283	D42-F243 HydrophobicContact CB-CE2 4.25Å; D42-F243 HydrophobicContact CB-CZ 3.96Å; F44-F243 HydrophobicContact CB-CD2 3.84Å; F44-F243 HydrophobicContact CB-CE2 3.74Å; D241-F243 VanDerWaalsContact C-N 3.29Å; D241-F243 HydrophobicContact CB-CD1 4.27Å; D241-F243 HydrophobicContact CB-CE1 3.97Å; D241-F243 PolarHBondContact O-N 3.45Å; F243-L252 WeakPolarHBondContact CB-O 3.37Å; F243-R253 HydrophobicContact CB-CB 4.35Å; F243-R253 HydrophobicContact CD1-CB 3.82Å; F243-R253 HydrophobicContact CD1-CG 4.45Å; F243-R253 HydrophobicContact CD2-CB 4.4Å; F243-R253 HydrophobicContact CE1-CB 4.11Å; F243-R253 HydrophobicContact CG-CB 3.95Å; F243-R253 HydrophobicContact CZ-CB 4.48Å; F243-E283 HydrophobicContact CB-CB 3.84Å; F243-E283 WeakPolarHBondContact CD1-OE2 3.45Å; F243-E283 PolarHBondContact N-OE2 3.22Å
244	K	98.9	Very high	98.7	Very high	78 Å²	78	51 Å²	51	34%	0.339	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-99.1	-8.9	177.5	-59.5	-176.9	-172.3	158.1	0	113.7	F44 D241 Y242 G246 E247	F44-K244 HydrophobicContact CB-CG 3.99Å; F44-K244 HydrophobicContact CD1-CB 4.36Å; F44-K244 HydrophobicContact CD1-CG 4.3Å; F44-K244 HydrophobicContact CD2-CB 4.43Å; F44-K244 HydrophobicContact CD2-CD 4.08Å; F44-K244 HydrophobicContact CD2-CG 3.85Å; F44-K244 HydrophobicContact CE1-CB 4.47Å; F44-K244 HydrophobicContact CE2-CD 4.47Å; F44-K244 HydrophobicContact CE2-CG 4.39Å; F44-K244 HydrophobicContact CG-CB 4.32Å; F44-K244 HydrophobicContact CG-CG 3.8Å; D241-K244 HydrophobicContact CB-CB 4.33Å; D241-K244 HydrophobicContact CB-CD 3.92Å; D241-K244 HydrophobicContact CB-CG 4.14Å; D241-K244 PolarHBondContact O-N 2.65Å; D241-K244 IonicContact OD2-NZ 2.77Å; D241-K244 PolarHBondContact OD2-NZ 2.91Å; Y242-K244 PolarHBondContact O-N 2.96Å; Y242-K244 VanDerWaalsContact O-N 3.11Å; K244-G246 PolarHBondContact O-N 3.18Å; K244-G246 VanDerWaalsContact O-N 3.14Å; K244-E247 PolarHBondContact O-N 2.83Å
245	R	98.8	Very high	98.7	Very high	49 Å²	49	46.9 Å²	46.9	19%	0.185	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.9	-173.1	-64	-68.1	-63.9	-80.1	-0.9	113.5	N200 F205 Y242 E247	N200-R245 PolarHBondContact OD1-NH1 3.31Å; N200-R245 PolarHBondContact OD1-NH2 3.24Å; F205-R245 HydrophobicContact CE1-CB 4.32Å; F205-R245 WeakPolarHBondContact CE1-O 3.26Å; F205-R245 HydrophobicContact CZ-CB 4.47Å; F205-R245 VanDerWaalsContact CZ-NH2 3.27Å; Y242-R245 WeakPolarHBondContact O-CB 3.15Å; Y242-R245 WeakPolarHBondContact O-CG 3.39Å; Y242-R245 PolarHBondContact O-N 2.81Å; Y242-R245 VanDerWaalsContact O-N 3.12Å; R245-E247 PolarHBondContact O-N 2.82Å
246	G	98.5	Very high	98.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8	171.7	0	0	0	0	0	114.3	K244 F248 I249	K244-G246 PolarHBondContact O-N 3.18Å; K244-G246 VanDerWaalsContact O-N 3.14Å; G246-F248 PolarHBondContact O-N 2.78Å; G246-I249 PolarHBondContact O-N 2.79Å
247	E	97.8	Very high	98.7	Very high	137 Å²	137	37.1 Å²	37.1	64%	0.64	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	-68.2	178.9	-66.5	-171	-172.5	0	0	115.9	F44 K45 K244 R245	F44-E247 WeakPolarHBondContact CE1-O 3.45Å; F44-E247 VanDerWaalsContact CZ-O 3.31Å; F44-E247 WeakPolarHBondContact CZ-O 3.38Å; K45-E247 WeakPolarHBondContact CD-O 3.49Å; K45-E247 WeakPolarHBondContact CE-O 3.43Å; K244-E247 PolarHBondContact O-N 2.83Å; R245-E247 PolarHBondContact O-N 2.82Å
248	F	98.4	Very high	98.8	Very high	99 Å²	99	37.3 Å²	37.3	43%	0.434	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-15.9	175.6	45.3	-97.3	0	0	0	113.1	N209 A212 G246	N209-F248 HydrophobicContact CB-CZ 4.08Å; A212-F248 HydrophobicContact CB-CD2 3.66Å; A212-F248 HydrophobicContact CB-CE2 3.59Å; G246-F248 PolarHBondContact O-N 2.78Å
249	I	98.9	Very high	98.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.157	C	C	.	.	S	Bend	trans	-83.9	131.7	174	-56.2	-177.1	0	0	0	109.7	Y208 A212 F220 G246 P279 L281	Y208-I249 HydrophobicContact CD1-CD1 3.82Å; Y208-I249 HydrophobicContact CG-CD1 3.84Å; A212-I249 HydrophobicContact CB-CD1 4.39Å; A212-I249 HydrophobicContact CB-CG1 4.05Å; F220-I249 HydrophobicContact CD2-CD1 4.39Å; F220-I249 HydrophobicContact CE2-CD1 4.21Å; G246-I249 PolarHBondContact O-N 2.79Å; I249-P279 HydrophobicContact CD1-CB 4.26Å; I249-P279 HydrophobicContact CD1-CG 3.86Å; I249-P279 HydrophobicContact CG1-CG 4.14Å; I249-P279 HydrophobicContact CG2-CB 4.2Å; I249-P279 HydrophobicContact CG2-CG 4.08Å; I249-P279 WeakPolarHBondContact CG2-O 3.47Å; I249-L281 HydrophobicContact CB-CD1 3.8Å; I249-L281 HydrophobicContact CD1-CD1 4.05Å; I249-L281 HydrophobicContact CG2-CD1 3.44Å; I249-L281 VanDerWaalsContact CG2-CD1 3.44Å
250	P	98.9	Very high	98.8	Very high	22 Å²	22	29 Å²	29	14%	0.143	14%	0.138	C	C	.	.			trans	-63.1	151.4	173.7	27.2	-34.8	0	0	0	111.3	F44 K45 L46 I280 L281	F44-P250 WeakPolarHBondContact O-CA 3.16Å; K45-P250 HydrophobicContact CB-CB 4.44Å; L46-P250 HydrophobicContact CD2-CB 3.65Å; L46-P250 HydrophobicContact CD2-CG 4.39Å; L46-P250 HydrophobicContact CG-CB 3.84Å; P250-I280 HydrophobicContact CG-CG1 4.29Å; P250-I280 WeakPolarHBondContact O-CG1 3.24Å; P250-L281 PolarHBondContact O-N 2.9Å
251	G	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	163.3	178.7	0	0	0	0	0	115.1	V43 F44 L281	V43-G251 CarbonylContact C-O 3.1Å; F44-G251 PolarHBondContact N-O 3.13Å; F44-G251 PolarHBondContact O-N 2.89Å; G251-L281 CarbonylContact C-O 3.57Å; G251-L281 WeakPolarHBondContact CA-O 3.4Å
252	L	98.9	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.7	177.3	58	149.7	0	0	0	112	C41 D42 V43 L46 P50 F243 V254 A265 F268 I280 L281 M282 E283	C41-L252 HydrophobicContact CB-CB 4.33Å; C41-L252 HydrophobicContact CB-CD1 4.45Å; D42-L252 CarbonylContact O-C 3.59Å; D42-L252 VanDerWaalsContact O-CA 3.23Å; D42-L252 WeakPolarHBondContact O-CA 3.5Å; V43-L252 HydrophobicContact CG1-CB 4.28Å; L46-L252 HydrophobicContact CD1-CB 4.4Å; L46-L252 HydrophobicContact CD1-CD2 4.15Å; P50-L252 HydrophobicContact CG-CD1 3.77Å; F243-L252 WeakPolarHBondContact CB-O 3.37Å; L252-V254 HydrophobicContact CD1-CG2 3.88Å; L252-V254 HydrophobicContact CG-CG2 4.37Å; L252-A265 HydrophobicContact CD1-CB 3.71Å; L252-F268 HydrophobicContact CD2-CD1 4.41Å; L252-F268 HydrophobicContact CD2-CE1 4.49Å; L252-I280 HydrophobicContact CD2-CD1 3.56Å; L252-I280 HydrophobicContact CD2-CG1 4Å; L252-L281 PolarHBondContact N-O 3.29Å; L252-M282 HydrophobicContact CD1-CG 4.44Å; L252-M282 HydrophobicContact CD1-SD 4.38Å; L252-M282 HydrophobicContact CG-CG 4.21Å; L252-M282 CarbonylContact O-C 3.5Å; L252-M282 WeakPolarHBondContact O-CA 3.47Å; L252-E283 PolarHBondContact O-N 3.28Å
253	R	98.9	Very high	98.8	Very high	48 Å²	48	24.5 Å²	24.5	18%	0.181	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.3	174.9	-173.3	163.6	66.7	-164.2	-4.7	110.4	C41 D42 D241 F243 E283 Q285	C41-R253 VanDerWaalsContact CA-O 3.28Å; C41-R253 WeakPolarHBondContact CA-O 3.27Å; C41-R253 WeakPolarHBondContact CB-O 3.24Å; D42-R253 HydrophobicContact CB-CB 4.18Å; D42-R253 PolarHBondContact N-O 3.44Å; D42-R253 PolarHBondContact O-N 2.92Å; D42-R253 IonicContact OD2-CZ 3.31Å; D42-R253 VanDerWaalsContact OD2-CZ 3.31Å; D42-R253 IonicContact OD2-NE 3.07Å; D42-R253 PolarHBondContact OD2-NE 3.41Å; D42-R253 VanDerWaalsContact OD2-NE 3.07Å; D42-R253 IonicContact OD2-NH2 2.83Å; D42-R253 PolarHBondContact OD2-NH2 3.2Å; D241-R253 IonicContact OD1-CZ 3.81Å; D241-R253 IonicContact OD1-NH1 2.78Å; D241-R253 PolarHBondContact OD1-NH1 2.94Å; F243-R253 HydrophobicContact CB-CB 4.35Å; F243-R253 HydrophobicContact CD1-CB 3.82Å; F243-R253 HydrophobicContact CD1-CG 4.45Å; F243-R253 HydrophobicContact CD2-CB 4.4Å; F243-R253 HydrophobicContact CE1-CB 4.11Å; F243-R253 HydrophobicContact CG-CB 3.95Å; F243-R253 HydrophobicContact CZ-CB 4.48Å; R253-E283 HydrophobicContact CB-CB 4.41Å; R253-E283 WeakPolarHBondContact CD-OE2 3.16Å; R253-E283 HydrophobicContact CG-CB 4.19Å; R253-E283 HydrophobicContact CG-CG 4.26Å; R253-Q285 HydrophobicContact CG-CG 3.77Å
254	V	98.9	Very high	98.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.3	-166.4	-170.3	0	0	0	0	109.5	L252 G256 C261 A265 M282 E283 L284 Q285	L252-V254 HydrophobicContact CD1-CG2 3.88Å; L252-V254 HydrophobicContact CG-CG2 4.37Å; V254-G256 PolarHBondContact O-N 2.9Å; V254-G256 VanDerWaalsContact O-N 3.13Å; V254-C261 HydrophobicContact CG1-CB 3.92Å; V254-A265 HydrophobicContact CB-CB 4.31Å; V254-A265 HydrophobicContact CG1-CB 3.79Å; V254-A265 HydrophobicContact CG2-CB 3.46Å; V254-A265 VanDerWaalsContact CG2-CB 3.46Å; V254-M282 HydrophobicContact CG2-CG 3.63Å; V254-M282 HydrophobicContact CG2-SD 3.92Å; V254-E283 PolarHBondContact N-O 2.95Å; V254-L284 HydrophobicContact CB-CD2 3.71Å; V254-L284 HydrophobicContact CG1-CD2 4.06Å; V254-L284 HydrophobicContact CG2-CD2 4.08Å; V254-Q285 PolarHBondContact O-N 2.97Å
255	D	98.9	Very high	98.8	Very high	45 Å²	45	21.5 Å²	21.5	24%	0.241	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	103.9	166.4	-169.8	-15.2	0	0	0	109.9	K39 M257 D258 C261	K39-D255 HydrophobicContact CD-CB 4.16Å; D255-M257 PolarHBondContact O-N 3.04Å; D255-M257 WeakPolarHBondContact OD1-CB 3.34Å; D255-M257 PolarHBondContact OD1-N 2.86Å; D255-D258 HydrophobicContact CB-CB 4.4Å; D255-D258 PolarHBondContact O-N 3.05Å; D255-C261 HydrophobicContact CB-CB 4.17Å
256	G	98.9	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.3	-179.6	0	0	0	0	0	114	C100 V254 Q285 T286	C100-G256 PolarHBondContact SG-O 3.46Å; V254-G256 PolarHBondContact O-N 2.9Å; V254-G256 VanDerWaalsContact O-N 3.13Å; G256-Q285 VanDerWaalsContact CA-O 3.23Å; G256-Q285 WeakPolarHBondContact CA-O 3.45Å; G256-Q285 PolarHBondContact N-O 3.44Å; G256-T286 PolarHBondContact O-OG1 2.78Å
257	M	98.9	Very high	98.8	Very high	12 Å²	12	23.6 Å²	23.6	6%	0.059	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-15.4	174	-53.8	-56.7	-66.6	0	0	112.2	G96 D255 Y287 V310 S314 P316	G96-M257 WeakPolarHBondContact O-CE 3.32Å; D255-M257 PolarHBondContact O-N 3.04Å; D255-M257 WeakPolarHBondContact OD1-CB 3.34Å; D255-M257 PolarHBondContact OD1-N 2.86Å; M257-Y287 PolarHBondContact SD-N 3.34Å; M257-V310 HydrophobicContact CE-CG1 4.07Å; M257-S314 WeakPolarHBondContact CE-O 3.31Å; M257-P316 WeakPolarHBondContact O-CA 3.42Å; M257-P316 WeakPolarHBondContact O-CB 3.36Å
258	D	98.9	Very high	98.9	Very high	11 Å²	11	19.2 Å²	19.2	6%	0.059	9%	0.086	C	C	.	.			trans	-104.5	111.3	179.4	179.9	-13.4	0	0	0	110.9	D255 L260 C261 V262 R323	D255-D258 HydrophobicContact CB-CB 4.4Å; D255-D258 PolarHBondContact O-N 3.05Å; D258-L260 PolarHBondContact O-N 2.82Å; D258-L260 PolarHBondContact OD1-N 3.34Å; D258-C261 HydrophobicContact CB-CB 3.86Å; D258-C261 VanDerWaalsContact CG-SG 3.54Å; D258-C261 WeakPolarHBondContact O-CB 3.46Å; D258-C261 PolarHBondContact O-N 3.16Å; D258-C261 VanDerWaalsContact O-N 3.07Å; D258-C261 PolarHBondContact OD1-N 3.02Å; D258-C261 PolarHBondContact OD2-SG 2.98Å; D258-V262 WeakPolarHBondContact O-CG2 3.49Å; D258-V262 PolarHBondContact O-N 3.45Å; D258-R323 VanDerWaalsContact CG-NH1 3.3Å; D258-R323 IonicContact OD1-CZ 3.04Å; D258-R323 IonicContact OD1-NH1 3.89Å; D258-R323 PolarHBondContact OD1-NH1 2.79Å; D258-R323 IonicContact OD1-NH2 3.74Å; D258-R323 IonicContact OD2-CZ 3.99Å; D258-R323 IonicContact OD2-NH1 3.98Å; D258-R323 PolarHBondContact OD2-NH1 3.01Å; D258-R323 IonicContact OD2-NH2 3.57Å; D258-R323 PolarHBondContact OD2-NH2 3.25Å
259	I	98.9	Very high	98.9	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-53.9	-37	179.6	-178.3	61	0	0	0	113.7	Y64 M68 A99 V102 R263 L320	Y64-I259 HydrophobicContact CD2-CG1 4.21Å; Y64-I259 HydrophobicContact CG-CG1 4.38Å; M68-I259 HydrophobicContact CE-CB 4.46Å; M68-I259 HydrophobicContact SD-CB 4.42Å; M68-I259 HydrophobicContact SD-CD1 4.49Å; A99-I259 HydrophobicContact CB-CB 4.22Å; A99-I259 WeakPolarHBondContact O-CD1 3.4Å; V102-I259 VanDerWaalsContact C-CD1 3.49Å; V102-I259 HydrophobicContact CB-CD1 3.71Å; V102-I259 HydrophobicContact CG1-CD1 3.76Å; I259-R263 VanDerWaalsContact O-CB 3.29Å; I259-R263 WeakPolarHBondContact O-CB 3.41Å; I259-R263 PolarHBondContact O-N 3.04Å; I259-L320 HydrophobicContact CG2-CB 4.29Å; I259-L320 HydrophobicContact CG2-CD1 4.1Å; I259-L320 HydrophobicContact CG2-CD2 4.41Å; I259-L320 HydrophobicContact CG2-CG 4.5Å
260	L	98.9	Very high	98.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-77.2	-34.1	-179.7	-61.2	-173.7	0	0	0	111.5	F36 I38 V54 M56 D258 E264	F36-L260 HydrophobicContact CB-CD1 3.88Å; F36-L260 HydrophobicContact CD2-CD1 3.82Å; F36-L260 HydrophobicContact CG-CD1 3.84Å; I38-L260 HydrophobicContact CG2-CB 3.73Å; V54-L260 HydrophobicContact CG2-CB 4.25Å; V54-L260 HydrophobicContact CG2-CD1 4.25Å; M56-L260 HydrophobicContact CB-CD1 4.37Å; M56-L260 HydrophobicContact CB-CD2 4.2Å; M56-L260 HydrophobicContact CG-CD2 4.26Å; M56-L260 HydrophobicContact SD-CD1 4.43Å; M56-L260 HydrophobicContact SD-CD2 3.86Å; D258-L260 PolarHBondContact O-N 2.82Å; D258-L260 PolarHBondContact OD1-N 3.34Å; L260-E264 WeakPolarHBondContact O-CB 3.25Å; L260-E264 WeakPolarHBondContact O-CG 3.3Å; L260-E264 PolarHBondContact O-N 3.33Å; L260-E264 VanDerWaalsContact O-N 3.07Å
261	C	98.9	Very high	98.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-60.2	-49.5	170.7	-72.9	0	0	0	0	110.8	K39 V254 D255 D258 E264 A265	K39-C261 PolarHBondContact N-SG 3.49Å; V254-C261 HydrophobicContact CG1-CB 3.92Å; D255-C261 HydrophobicContact CB-CB 4.17Å; D258-C261 HydrophobicContact CB-CB 3.86Å; D258-C261 VanDerWaalsContact CG-SG 3.54Å; D258-C261 WeakPolarHBondContact O-CB 3.46Å; D258-C261 PolarHBondContact O-N 3.16Å; D258-C261 VanDerWaalsContact O-N 3.07Å; D258-C261 PolarHBondContact OD1-N 3.02Å; D258-C261 PolarHBondContact OD2-SG 2.98Å; C261-E264 PolarHBondContact O-N 3.47Å; C261-A265 VanDerWaalsContact O-CB 3.25Å; C261-A265 WeakPolarHBondContact O-CB 3.16Å; C261-A265 PolarHBondContact O-N 2.84Å
262	V	98.9	Very high	98.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.1	-44.9	179.9	-179.5	0	0	0	0	111.2	I104 D258 E264 T266 L284	I104-V262 HydrophobicContact CG1-CG1 4.03Å; D258-V262 WeakPolarHBondContact O-CG2 3.49Å; D258-V262 PolarHBondContact O-N 3.45Å; V262-E264 PolarHBondContact O-N 2.81Å; V262-T266 VanDerWaalsContact O-CB 3.29Å; V262-T266 WeakPolarHBondContact O-CB 3.42Å; V262-T266 PolarHBondContact O-N 3.33Å; V262-T266 PolarHBondContact O-OG1 3.09Å; V262-L284 HydrophobicContact CG1-CD1 4.11Å; V262-L284 HydrophobicContact CG1-CD2 4.31Å; V262-L284 HydrophobicContact CG2-CD2 4.24Å
263	R	98.9	Very high	98.8	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-53.9	-54.3	176.9	-174.2	-174.4	75.8	174.3	0.5	110.8	V55 E60 G103 A106 S107 I259 A265 T266 R267	V55-R263 PolarHBondContact O-NH2 3.47Å; E60-R263 IonicContact OE1-NH1 3.7Å; E60-R263 IonicContact OE2-NH1 2.73Å; E60-R263 PolarHBondContact OE2-NH1 3.36Å; G103-R263 WeakPolarHBondContact O-CA 3.37Å; A106-R263 HydrophobicContact CB-CG 3.97Å; S107-R263 WeakPolarHBondContact CB-O 3.3Å; S107-R263 WeakPolarHBondContact OG-CA 3.37Å; S107-R263 WeakPolarHBondContact OG-CG 3.08Å; S107-R263 PolarHBondContact OG-O 3.47Å; I259-R263 VanDerWaalsContact O-CB 3.29Å; I259-R263 WeakPolarHBondContact O-CB 3.41Å; I259-R263 PolarHBondContact O-N 3.04Å; R263-A265 PolarHBondContact O-N 2.88Å; R263-T266 PolarHBondContact O-N 2.94Å; R263-R267 PolarHBondContact O-N 2.95Å
264	E	98.8	Very high	98.8	Very high	19 Å²	19	19 Å²	19	9%	0.089	9%	0.088	C	C	.	.	H	α-helix	trans	-75.1	-34.5	-169	-62.6	-73.5	161.9	0	0	111.9	I38 V54 L260 C261 V262 R267 F268	I38-E264 HydrophobicContact CD1-CB 3.84Å; I38-E264 HydrophobicContact CD1-CG 4.05Å; V54-E264 HydrophobicContact CB-CG 4.01Å; V54-E264 HydrophobicContact CG1-CB 4.32Å; V54-E264 HydrophobicContact CG1-CG 3.64Å; V54-E264 HydrophobicContact CG2-CG 4.25Å; L260-E264 WeakPolarHBondContact O-CB 3.25Å; L260-E264 WeakPolarHBondContact O-CG 3.3Å; L260-E264 PolarHBondContact O-N 3.33Å; L260-E264 VanDerWaalsContact O-N 3.07Å; C261-E264 PolarHBondContact O-N 3.47Å; V262-E264 PolarHBondContact O-N 2.81Å; E264-R267 VanDerWaalsContact CD-NH1 3.29Å; E264-R267 PolarHBondContact O-N 3.09Å; E264-R267 IonicContact OE1-CZ 3.64Å; E264-R267 IonicContact OE1-NH1 3.83Å; E264-R267 PolarHBondContact OE1-NH1 2.65Å; E264-R267 IonicContact OE1-NH2 2.95Å; E264-R267 IonicContact OE2-CZ 3.65Å; E264-R267 IonicContact OE2-NH1 2.88Å; E264-R267 PolarHBondContact OE2-NH1 2.76Å; E264-F268 WeakPolarHBondContact O-CB 3.3Å; E264-F268 PolarHBondContact O-N 2.86Å
265	A	98.9	Very high	98.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-40.7	169.4	0	0	0	0	0	112.5	P50 L252 V254 C261 R263 F268 A269 M282	P50-A265 HydrophobicContact CG-CB 4.34Å; L252-A265 HydrophobicContact CD1-CB 3.71Å; V254-A265 HydrophobicContact CB-CB 4.31Å; V254-A265 HydrophobicContact CG1-CB 3.79Å; V254-A265 HydrophobicContact CG2-CB 3.46Å; V254-A265 VanDerWaalsContact CG2-CB 3.46Å; C261-A265 VanDerWaalsContact O-CB 3.25Å; C261-A265 WeakPolarHBondContact O-CB 3.16Å; C261-A265 PolarHBondContact O-N 2.84Å; R263-A265 PolarHBondContact O-N 2.88Å; A265-F268 PolarHBondContact O-N 2.85Å; A265-A269 WeakPolarHBondContact O-CB 3.31Å; A265-A269 PolarHBondContact O-N 2.81Å; A265-M282 HydrophobicContact CB-SD 3.66Å
266	T	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-43.7	177	-56.1	0	0	0	0	111.1	I104 I108 V262 R263 F268 A269 A270	I104-T266 HydrophobicContact CB-CG2 4.48Å; I104-T266 HydrophobicContact CG2-CG2 4.34Å; I108-T266 HydrophobicContact CG2-CG2 3.91Å; V262-T266 VanDerWaalsContact O-CB 3.29Å; V262-T266 WeakPolarHBondContact O-CB 3.42Å; V262-T266 PolarHBondContact O-N 3.33Å; V262-T266 PolarHBondContact O-OG1 3.09Å; R263-T266 PolarHBondContact O-N 2.94Å; T266-F268 VanDerWaalsContact C-N 3.34Å; T266-F268 PolarHBondContact O-N 3.43Å; T266-A269 PolarHBondContact O-N 3.04Å; T266-A270 VanDerWaalsContact O-CB 3.26Å; T266-A270 WeakPolarHBondContact O-CB 3.32Å; T266-A270 PolarHBondContact O-N 3.33Å
267	R	98.8	Very high	98.7	Very high	93 Å²	93	29 Å²	29	35%	0.351	15%	0.15	S	C	.	.	H	α-helix	trans	-57.3	-48.6	175.8	-176.1	-177.3	-69.9	156.1	-5.7	111	R263 E264 A269 A270 D271	R263-R267 PolarHBondContact O-N 2.95Å; E264-R267 VanDerWaalsContact CD-NH1 3.29Å; E264-R267 PolarHBondContact O-N 3.09Å; E264-R267 IonicContact OE1-CZ 3.64Å; E264-R267 IonicContact OE1-NH1 3.83Å; E264-R267 PolarHBondContact OE1-NH1 2.65Å; E264-R267 IonicContact OE1-NH2 2.95Å; E264-R267 IonicContact OE2-CZ 3.65Å; E264-R267 IonicContact OE2-NH1 2.88Å; E264-R267 PolarHBondContact OE2-NH1 2.76Å; R267-A269 PolarHBondContact O-N 3.4Å; R267-A270 PolarHBondContact O-N 2.85Å; R267-D271 PolarHBondContact O-N 3.21Å
268	F	98.9	Very high	98.7	Very high	45 Å²	45	28.4 Å²	28.4	20%	0.197	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-47.5	175.8	176.4	-89.2	0	0	0	112.6	L46 E48 P50 L252 E264 A265 T266 A270 D271 H272 I280	L46-F268 HydrophobicContact CD1-CE1 4.01Å; L46-F268 HydrophobicContact CD1-CZ 4.45Å; L46-F268 HydrophobicContact CD2-CE1 4.31Å; L46-F268 HydrophobicContact CD2-CZ 4.39Å; E48-F268 WeakPolarHBondContact O-CZ 3.4Å; P50-F268 HydrophobicContact CB-CB 4.25Å; P50-F268 HydrophobicContact CG-CB 3.91Å; P50-F268 HydrophobicContact CG-CD1 4.12Å; P50-F268 HydrophobicContact CG-CD2 4.4Å; P50-F268 HydrophobicContact CG-CG 3.89Å; L252-F268 HydrophobicContact CD2-CD1 4.41Å; L252-F268 HydrophobicContact CD2-CE1 4.49Å; E264-F268 WeakPolarHBondContact O-CB 3.3Å; E264-F268 PolarHBondContact O-N 2.86Å; A265-F268 PolarHBondContact O-N 2.85Å; T266-F268 VanDerWaalsContact C-N 3.34Å; T266-F268 PolarHBondContact O-N 3.43Å; F268-A270 VanDerWaalsContact C-N 3.33Å; F268-A270 PolarHBondContact O-N 3.41Å; F268-D271 PolarHBondContact O-N 2.8Å; F268-H272 PolarHBondContact O-N 3.44Å; F268-I280 HydrophobicContact CD1-CD1 4.44Å; F268-I280 HydrophobicContact CE1-CD1 4.13Å
269	A	98.9	Very high	98.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-37.3	178.6	0	0	0	0	0	112.3	I219 A265 T266 R267 H272 C273 I280	I219-A269 HydrophobicContact CD1-CB 3.87Å; I219-A269 HydrophobicContact CG1-CB 4.11Å; I219-A269 HydrophobicContact CG2-CB 3.98Å; A265-A269 WeakPolarHBondContact O-CB 3.31Å; A265-A269 PolarHBondContact O-N 2.81Å; T266-A269 PolarHBondContact O-N 3.04Å; R267-A269 PolarHBondContact O-N 3.4Å; A269-H272 WeakPolarHBondContact O-CB 3.32Å; A269-H272 PolarHBondContact O-N 3.4Å; A269-C273 PolarHBondContact O-N 3.23Å; A269-I280 HydrophobicContact CB-CD1 4.41Å; A269-I280 HydrophobicContact CB-CG2 3.73Å
270	A	98.8	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-45.7	176.4	0	0	0	0	0	111.7	L189 I219 T266 R267 F268 H272 C273 R274	L189-A270 VanDerWaalsContact CD2-CA 3.47Å; L189-A270 HydrophobicContact CD2-CB 3.55Å; I219-A270 HydrophobicContact CD1-CB 4.23Å; T266-A270 VanDerWaalsContact O-CB 3.26Å; T266-A270 WeakPolarHBondContact O-CB 3.32Å; T266-A270 PolarHBondContact O-N 3.33Å; R267-A270 PolarHBondContact O-N 2.85Å; F268-A270 VanDerWaalsContact C-N 3.33Å; F268-A270 PolarHBondContact O-N 3.41Å; A270-H272 VanDerWaalsContact C-N 3.32Å; A270-H272 PolarHBondContact O-N 2.99Å; A270-C273 PolarHBondContact O-N 2.83Å; A270-R274 WeakPolarHBondContact O-CB 3.31Å; A270-R274 WeakPolarHBondContact O-CG 3.4Å; A270-R274 PolarHBondContact O-N 3.38Å
271	D	98.6	Very high	98.7	Very high	88 Å²	88	28.2 Å²	28.2	47%	0.471	15%	0.147	S	C	.	.	H	α-helix	trans	-65.4	-36.7	176.8	-67.1	-18.4	0	0	0	111.7	R267 F268 R274 S275	R267-D271 PolarHBondContact O-N 3.21Å; F268-D271 PolarHBondContact O-N 2.8Å; D271-R274 PolarHBondContact O-N 3.42Å; D271-R274 IonicContact OD1-NH1 2.71Å; D271-S275 VanDerWaalsContact O-CB 3.28Å; D271-S275 WeakPolarHBondContact O-CB 3.35Å; D271-S275 PolarHBondContact O-N 3.26Å; D271-S275 PolarHBondContact O-OG 3.36Å
272	H	98.6	Very high	98.7	Very high	21 Å²	21	28.1 Å²	28.1	10%	0.097	15%	0.146	C	C	.	.	H	α-helix	trans	-55.3	-53.7	170.5	-179.5	105.8	0	0	0	111.3	F268 A269 A270 S275 K277 I280	F268-H272 PolarHBondContact O-N 3.44Å; A269-H272 WeakPolarHBondContact O-CB 3.32Å; A269-H272 PolarHBondContact O-N 3.4Å; A270-H272 VanDerWaalsContact C-N 3.32Å; A270-H272 PolarHBondContact O-N 2.99Å; H272-S275 PolarHBondContact O-N 2.93Å; H272-S275 PolarHBondContact O-OG 2.96Å; H272-K277 VanDerWaalsContact NE2-CB 3.34Å; H272-K277 WeakPolarHBondContact NE2-CB 3.4Å; H272-K277 PolarHBondContact O-N 3.3Å; H272-I280 HydrophobicContact CB-CD1 4.28Å
273	C	98.7	Very high	98.7	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-45.9	-179.9	-71.7	0	0	0	0	112.5	L189 P217 A269 A270 S275 G276 G278	L189-C273 HydrophobicContact CB-CB 4.39Å; L189-C273 HydrophobicContact CD2-CB 4.25Å; P217-C273 HydrophobicContact CB-CB 4.15Å; A269-C273 PolarHBondContact O-N 3.23Å; A270-C273 PolarHBondContact O-N 2.83Å; C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 2.73Å; C273-G276 PolarHBondContact O-N 2.82Å; C273-G278 PolarHBondContact SG-O 3.28Å
274	R	98.4	Very high	98.7	Very high	55 Å²	55	28.1 Å²	28.1	21%	0.208	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-29.6	179.3	-69.6	-177.9	-166.5	121.6	-0.8	112.7	N109 D112 L189 A270 D271 G276	N109-R274 PolarHBondContact ND2-NH2 3.49Å; D112-R274 IonicContact OD1-NH2 3.69Å; D112-R274 IonicContact OD2-CZ 2.71Å; D112-R274 IonicContact OD2-NH2 3.84Å; D112-R274 PolarHBondContact OD2-NH2 3.06Å; L189-R274 HydrophobicContact CD2-CG 4.34Å; A270-R274 WeakPolarHBondContact O-CB 3.31Å; A270-R274 WeakPolarHBondContact O-CG 3.4Å; A270-R274 PolarHBondContact O-N 3.38Å; D271-R274 PolarHBondContact O-N 3.42Å; D271-R274 IonicContact OD1-NH1 2.71Å; R274-G276 PolarHBondContact O-N 2.85Å
275	S	98	Very high	98.7	Very high	67 Å²	67	30.3 Å²	30.3	47%	0.469	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-1.2	172.9	73.8	0	0	0	0	114.4	D271 H272 C273 K277	D271-S275 VanDerWaalsContact O-CB 3.28Å; D271-S275 WeakPolarHBondContact O-CB 3.35Å; D271-S275 PolarHBondContact O-N 3.26Å; D271-S275 PolarHBondContact O-OG 3.36Å; H272-S275 PolarHBondContact O-N 2.93Å; H272-S275 PolarHBondContact O-OG 2.96Å; C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 2.73Å; S275-K277 VanDerWaalsContact C-N 3.33Å; S275-K277 PolarHBondContact O-N 2.59Å; S275-K277 VanDerWaalsContact OG-CD 3.29Å; S275-K277 WeakPolarHBondContact OG-CD 3.1Å; S275-K277 WeakPolarHBondContact OG-CE 3.39Å; S275-K277 WeakPolarHBondContact OG-CG 3.3Å
276	G	98.1	Very high	98.7	Very high	45 Å²	45	30.4 Å²	30.4	46%	0.464	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	13.1	177.3	0	0	0	0	0	114.6	C273 R274 G278	C273-G276 PolarHBondContact O-N 2.82Å; R274-G276 PolarHBondContact O-N 2.85Å; G276-G278 PolarHBondContact O-N 3.11Å
277	K	98.4	Very high	98.7	Very high	142 Å²	142	30.5 Å²	30.5	62%	0.617	16%	0.157	S	C	*	.			trans	-70.5	-14.7	177.5	-69.3	170.8	-172.3	163.3	0	113.1	H272 S275	H272-K277 VanDerWaalsContact NE2-CB 3.34Å; H272-K277 WeakPolarHBondContact NE2-CB 3.4Å; H272-K277 PolarHBondContact O-N 3.3Å; S275-K277 VanDerWaalsContact C-N 3.33Å; S275-K277 PolarHBondContact O-N 2.59Å; S275-K277 VanDerWaalsContact OG-CD 3.29Å; S275-K277 WeakPolarHBondContact OG-CD 3.1Å; S275-K277 WeakPolarHBondContact OG-CE 3.39Å; S275-K277 WeakPolarHBondContact OG-CG 3.3Å
278	G	98.7	Very high	98.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	14%	0.141	C	C	.	.			trans	103.6	-152.9	176.1	0	0	0	0	0	112.4	L216 C273 G276	L216-G278 CarbonylContact O-C 3.55Å; C273-G278 PolarHBondContact SG-O 3.28Å; G276-G278 PolarHBondContact O-N 3.11Å
279	P	98.9	Very high	98.7	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.052	13%	0.133	C	C	.	.			trans	-76	158.6	-176.7	32.7	-37.3	0	0	0	112.1	A211 A212 L216 V218 F220 I249	A211-P279 HydrophobicContact CB-CB 4.22Å; A211-P279 HydrophobicContact CB-CG 4.16Å; A211-P279 WeakPolarHBondContact O-CD 3.38Å; A212-P279 HydrophobicContact CB-CG 4.22Å; L216-P279 VanDerWaalsContact O-N 3.13Å; V218-P279 HydrophobicContact CG1-CB 3.67Å; V218-P279 VanDerWaalsContact O-CA 3.23Å; V218-P279 WeakPolarHBondContact O-CA 3.4Å; F220-P279 HydrophobicContact CD2-CB 4.11Å; F220-P279 HydrophobicContact CE2-CB 3.76Å; I249-P279 HydrophobicContact CD1-CB 4.26Å; I249-P279 HydrophobicContact CD1-CG 3.86Å; I249-P279 HydrophobicContact CG1-CG 4.14Å; I249-P279 HydrophobicContact CG2-CB 4.2Å; I249-P279 HydrophobicContact CG2-CG 4.08Å; I249-P279 WeakPolarHBondContact CG2-O 3.47Å
280	I	98.9	Very high	98.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.9	173.3	-169.5	170.8	0	0	0	110.2	L46 V218 I219 F220 P250 L252 F268 A269 H272	L46-I280 HydrophobicContact CD1-CD1 4.33Å; L46-I280 HydrophobicContact CD2-CD1 4.32Å; V218-I280 PolarHBondContact O-N 2.93Å; I219-I280 HydrophobicContact CB-CG2 4.4Å; I219-I280 HydrophobicContact CG1-CG2 4.08Å; I219-I280 HydrophobicContact CG2-CG2 4.17Å; F220-I280 PolarHBondContact N-O 3.22Å; P250-I280 HydrophobicContact CG-CG1 4.29Å; P250-I280 WeakPolarHBondContact O-CG1 3.24Å; L252-I280 HydrophobicContact CD2-CD1 3.56Å; L252-I280 HydrophobicContact CD2-CG1 4Å; F268-I280 HydrophobicContact CD1-CD1 4.44Å; F268-I280 HydrophobicContact CE1-CD1 4.13Å; A269-I280 HydrophobicContact CB-CD1 4.41Å; A269-I280 HydrophobicContact CB-CG2 3.73Å; H272-I280 HydrophobicContact CB-CD1 4.28Å
281	L	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141.6	173.4	-93.7	70.4	0	0	0	111.3	Y208 F220 I249 P250 G251 L252	Y208-L281 HydrophobicContact CD1-CD1 4.28Å; Y208-L281 HydrophobicContact CE1-CD1 3.88Å; Y208-L281 HydrophobicContact CE1-CG 4.42Å; Y208-L281 HydrophobicContact CE2-CD2 4.35Å; F220-L281 HydrophobicContact CB-CD1 3.94Å; F220-L281 HydrophobicContact CB-CG 4.03Å; F220-L281 HydrophobicContact CD2-CD1 3.95Å; F220-L281 HydrophobicContact CG-CD1 4.36Å; F220-L281 CarbonylContact O-C 3.57Å; F220-L281 WeakPolarHBondContact O-CA 3.42Å; I249-L281 HydrophobicContact CB-CD1 3.8Å; I249-L281 HydrophobicContact CD1-CD1 4.05Å; I249-L281 HydrophobicContact CG2-CD1 3.44Å; I249-L281 VanDerWaalsContact CG2-CD1 3.44Å; P250-L281 PolarHBondContact O-N 2.9Å; G251-L281 CarbonylContact C-O 3.57Å; G251-L281 WeakPolarHBondContact CA-O 3.4Å; L252-L281 PolarHBondContact N-O 3.29Å
282	M	98.9	Very high	98.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	121.3	171.8	-171.6	166.1	64.3	0	0	109.8	I219 F220 I221 C222 L252 V254 A265 L284	I219-M282 HydrophobicContact CG2-CB 4.48Å; I219-M282 HydrophobicContact CG2-CE 4.48Å; F220-M282 PolarHBondContact O-N 3Å; I221-M282 CarbonylContact C-O 3.38Å; I221-M282 VanDerWaalsContact CA-O 3.23Å; I221-M282 WeakPolarHBondContact CA-O 3.26Å; I221-M282 HydrophobicContact CD1-CE 3.34Å; I221-M282 HydrophobicContact CG1-CB 4.31Å; I221-M282 HydrophobicContact CG1-CE 3.81Å; I221-M282 HydrophobicContact CG2-CE 4.47Å; C222-M282 PolarHBondContact N-O 2.92Å; L252-M282 HydrophobicContact CD1-CG 4.44Å; L252-M282 HydrophobicContact CD1-SD 4.38Å; L252-M282 HydrophobicContact CG-CG 4.21Å; L252-M282 CarbonylContact O-C 3.5Å; L252-M282 WeakPolarHBondContact O-CA 3.47Å; V254-M282 HydrophobicContact CG2-CG 3.63Å; V254-M282 HydrophobicContact CG2-SD 3.92Å; A265-M282 HydrophobicContact CB-SD 3.66Å; M282-L284 HydrophobicContact CE-CD2 4.01Å; M282-L284 HydrophobicContact CG-CD2 3.93Å; M282-L284 HydrophobicContact SD-CD2 4.1Å
283	E	98.9	Very high	98.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.6	171.3	-179.8	-173	165.2	0	0	109.2	C222 N224 Y242 F243 L252 R253 V254 Q285	C222-E283 WeakPolarHBondContact O-CA 3.49Å; N224-E283 HydrophobicContact CB-CG 4.06Å; N224-E283 PolarHBondContact ND2-OE1 3.07Å; Y242-E283 PolarHBondContact N-OE2 2.82Å; Y242-E283 VanDerWaalsContact N-OE2 3.14Å; F243-E283 HydrophobicContact CB-CB 3.84Å; F243-E283 WeakPolarHBondContact CD1-OE2 3.45Å; F243-E283 PolarHBondContact N-OE2 3.22Å; L252-E283 PolarHBondContact O-N 3.28Å; R253-E283 HydrophobicContact CB-CB 4.41Å; R253-E283 WeakPolarHBondContact CD-OE2 3.16Å; R253-E283 HydrophobicContact CG-CB 4.19Å; R253-E283 HydrophobicContact CG-CG 4.26Å; V254-E283 PolarHBondContact N-O 2.95Å; E283-Q285 HydrophobicContact CG-CG 4.37Å
284	L	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.4	170.9	-58.3	-173.5	0	0	0	108.6	C100 I104 I221 C222 N224 V254 V262 M282 T286	C100-L284 HydrophobicContact CB-CD1 3.8Å; I104-L284 HydrophobicContact CD1-CD1 3.97Å; I104-L284 HydrophobicContact CG1-CD1 4.5Å; I221-L284 HydrophobicContact CG2-CD1 3.78Å; I221-L284 HydrophobicContact CG2-CG 3.72Å; C222-L284 PolarHBondContact O-N 3.32Å; N224-L284 PolarHBondContact N-O 3.48Å; V254-L284 HydrophobicContact CB-CD2 3.71Å; V254-L284 HydrophobicContact CG1-CD2 4.06Å; V254-L284 HydrophobicContact CG2-CD2 4.08Å; V262-L284 HydrophobicContact CG1-CD1 4.11Å; V262-L284 HydrophobicContact CG1-CD2 4.31Å; V262-L284 HydrophobicContact CG2-CD2 4.24Å; M282-L284 HydrophobicContact CE-CD2 4.01Å; M282-L284 HydrophobicContact CG-CD2 3.93Å; M282-L284 HydrophobicContact SD-CD2 4.1Å; L284-T286 PolarHBondContact O-N 2.88Å
285	Q	98.9	Very high	98.5	Very high	64 Å²	64	26 Å²	26	30%	0.299	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	97.3	175.2	-59.9	-170.9	-66.2	0	0	109.1	R253 V254 G256 E283	R253-Q285 HydrophobicContact CG-CG 3.77Å; V254-Q285 PolarHBondContact O-N 2.97Å; G256-Q285 VanDerWaalsContact CA-O 3.23Å; G256-Q285 WeakPolarHBondContact CA-O 3.45Å; G256-Q285 PolarHBondContact N-O 3.44Å; E283-Q285 HydrophobicContact CG-CG 4.37Å
286	T	98.9	Very high	98.5	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.025	14%	0.137	C	C	.	.			trans	-125.3	-170.7	-173.7	-167	0	0	0	0	110.9	Q97 C100 N224 N225 G256 L284	Q97-T286 WeakPolarHBondContact CA-OG1 3.37Å; Q97-T286 HydrophobicContact CB-CG2 4.34Å; Q97-T286 HydrophobicContact CG-CG2 3.87Å; C100-T286 VanDerWaalsContact SG-CB 3.6Å; N224-T286 PolarHBondContact O-N 3.26Å; N224-T286 VanDerWaalsContact O-O 3.12Å; N225-T286 WeakPolarHBondContact CA-O 3.39Å; N225-T286 HydrophobicContact CB-CG2 4.25Å; G256-T286 PolarHBondContact O-OG1 2.78Å; L284-T286 PolarHBondContact O-N 2.88Å
287	Y	98.9	Very high	98.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	15%	0.148	C	C	.	.			trans	-153.3	135.7	178.8	-155.9	-90.7	0	0	0	112.4	G96 Q97 R226 Y227 M257 Y289 R302 E306 I307 V310	G96-Y287 CarbonylContact C-O 3.52Å; G96-Y287 WeakPolarHBondContact CA-O 3.31Å; Q97-Y287 WeakPolarHBondContact CG-O 3.26Å; R226-Y287 HydrophobicContact CG-CD2 4.39Å; R226-Y287 HydrophobicContact CG-CE2 4.49Å; Y227-Y287 HydrophobicContact CE2-CE2 4.19Å; M257-Y287 PolarHBondContact SD-N 3.34Å; Y287-Y289 HydrophobicContact CD1-CD1 4.23Å; Y287-R302 VanDerWaalsContact CZ-NH1 3.32Å; Y287-R302 WeakPolarHBondContact OH-CD 3.5Å; Y287-R302 PolarHBondContact OH-NH1 3.25Å; Y287-R302 VanDerWaalsContact OH-NH1 3.17Å; Y287-E306 VanDerWaalsContact CE2-OE1 3.29Å; Y287-E306 WeakPolarHBondContact CE2-OE1 3.48Å; Y287-E306 PolarHBondContact OH-OE1 3.1Å; Y287-I307 HydrophobicContact CE1-CG1 4.14Å; Y287-V310 HydrophobicContact CD1-CB 4.3Å; Y287-V310 HydrophobicContact CD1-CG1 4.02Å; Y287-V310 HydrophobicContact CD1-CG2 4.44Å; Y287-V310 HydrophobicContact CD2-CG1 4.48Å; Y287-V310 HydrophobicContact CD2-CG2 4.15Å; Y287-V310 HydrophobicContact CE2-CG2 4.26Å; Y287-V310 HydrophobicContact CG-CB 4.37Å; Y287-V310 HydrophobicContact CG-CG1 3.84Å; Y287-V310 HydrophobicContact CG-CG2 4.23Å
288	R	98.8	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.118	C	C	.	.			trans	-96	128.6	172.3	60.8	-179.2	174.7	87.2	-8.7	110.9	N225 Y227 M229 H290 G291 Y301 R302	N225-R288 HydrophobicContact CB-CG 4.22Å; N225-R288 PolarHBondContact OD1-NE 3.04Å; Y227-R288 PolarHBondContact O-NH2 2.83Å; M229-R288 PolarHBondContact O-NH2 2.99Å; R288-H290 PolarHBondContact NH1-O 2.94Å; R288-G291 VanDerWaalsContact NH1-CA 3.27Å; R288-G291 PolarHBondContact NH1-O 3.25Å; R288-Y301 PolarHBondContact NH1-OH 3.14Å; R288-Y301 PolarHBondContact NH2-OH 3Å; R288-Y301 VanDerWaalsContact NH2-OH 3.1Å; R288-R302 PolarHBondContact O-NH1 3.24Å; R288-R302 PolarHBondContact O-NH2 3.22Å
289	Y	98.8	Very high	98.2	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.035	14%	0.137	C	C	.	.	S	Bend	trans	-77.3	-43.7	-179.6	-62.2	-37.1	0	0	0	112.9	D95 Y287 R302 I307 V310 R311 D315	D95-Y289 HydrophobicContact CB-CD2 4.42Å; D95-Y289 PolarHBondContact O-N 3.2Å; Y287-Y289 HydrophobicContact CD1-CD1 4.23Å; Y289-R302 PolarHBondContact O-NH2 2.88Å; Y289-R302 VanDerWaalsContact O-NH2 3.16Å; Y289-I307 HydrophobicContact CD1-CG2 4.34Å; Y289-V310 HydrophobicContact CE1-CG1 4.31Å; Y289-R311 HydrophobicContact CD1-CB 4.4Å; Y289-R311 HydrophobicContact CE1-CB 3.8Å; Y289-R311 HydrophobicContact CE1-CG 4.25Å; Y289-R311 HydrophobicContact CE2-CG 4.31Å; Y289-R311 VanDerWaalsContact CG-NH2 3.29Å; Y289-D315 VanDerWaalsContact OH-CA 3.3Å; Y289-D315 WeakPolarHBondContact OH-CA 3.49Å; Y289-D315 VanDerWaalsContact OH-CB 3.25Å; Y289-D315 WeakPolarHBondContact OH-CB 3.26Å; Y289-D315 PolarHBondContact OH-OD2 3.3Å
290	H	98.7	Very high	98.1	Very high	43 Å²	43	28.2 Å²	28.2	20%	0.199	17%	0.171	C	C	.	.	S	Bend	trans	-72.1	164.1	172.7	-73.8	82	0	0	0	111.9	D79 L93 D95 R288 R302	D79-H290 IonicContact OD1-NE2 3.48Å; L93-H290 HydrophobicContact CB-CB 4.38Å; L93-H290 HydrophobicContact CD1-CB 4.36Å; D95-H290 IonicContact OD1-CE1 2.65Å; D95-H290 IonicContact OD1-CG 2.67Å; D95-H290 IonicContact OD1-ND1 2.81Å; D95-H290 PolarHBondContact OD1-ND1 3.27Å; D95-H290 IonicContact OD2-CE1 3.2Å; D95-H290 PolarHBondContact OD2-CE1 2.71Å; D95-H290 VanDerWaalsContact OD2-CE1 3.27Å; D95-H290 IonicContact OD2-ND1 3.01Å; D95-H290 PolarHBondContact OD2-ND1 2.92Å; R288-H290 PolarHBondContact NH1-O 2.94Å; H290-R302 PolarHBondContact O-NH2 3.42Å
291	G	98.4	Very high	98.1	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	18%	0.179	C	C	.	.			trans	-59.8	-174.1	168.8	0	0	0	0	0	112.4	R288 S293 D296	R288-G291 VanDerWaalsContact NH1-CA 3.27Å; R288-G291 PolarHBondContact NH1-O 3.25Å; G291-S293 VanDerWaalsContact C-N 3.33Å; G291-S293 PolarHBondContact O-N 2.9Å; G291-D296 WeakPolarHBondContact CA-O 3.46Å
292	H	98.7	Very high	98	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.102	18%	0.181	C	C	.	.	S	Bend	trans	-57.4	-50.4	-173.8	179.5	61.3	0	0	0	111.5	H92 Y118 R119 M229 D296	H92-H292 PolarHBondContact CD2-O 3.47Å; H92-H292 VanDerWaalsContact CD2-O 3.3Å; Y118-H292 AromaticContact CE2-CE1 3.95Å; Y118-H292 AromaticContact CZ-CE1 3.85Å; Y118-H292 PolarHBondContact OH-CE1 3.13Å; R119-H292 PolarHBondContact NH1-O 2.74Å; R119-H292 PolarHBondContact NH2-O 3.1Å; M229-H292 WeakPolarHBondContact CA-ND1 3.45Å; M229-H292 HydrophobicContact CB-CB 4.49Å; M229-H292 HydrophobicContact CG-CB 4.08Å; H292-D296 HydrophobicContact CB-CB 4.14Å; H292-D296 VanDerWaalsContact CB-OD2 3.27Å; H292-D296 WeakPolarHBondContact CB-OD2 3.24Å; H292-D296 PolarHBondContact N-OD2 3.04Å
293	S	97.9	Very high	98	Very high	8 Å²	8	34.3 Å²	34.3	6%	0.056	20%	0.202	C	C	.	.	S	Bend	trans	-139	177.5	172.9	71.1	0	0	0	0	108.9	C91 G291 S295 D296	C91-S293 CarbonylContact O-C 3.59Å; C91-S293 WeakPolarHBondContact O-CA 3.45Å; G291-S293 VanDerWaalsContact C-N 3.33Å; G291-S293 PolarHBondContact O-N 2.9Å; S293-S295 PolarHBondContact O-N 3.45Å; S293-S295 PolarHBondContact OG-N 2.8Å; S293-S295 PolarHBondContact OG-OG 2.85Å; S293-D296 PolarHBondContact O-N 2.76Å
294	M	98.1	Very high	97.9	Very high	35 Å²	35	42.8 Å²	42.8	17%	0.172	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.8	175.1	-72.5	-53	-62.1	0	0	115.6	D79 Y82 K83 C91 L93	D79-M294 HydrophobicContact CB-CE 4.26Å; D79-M294 HydrophobicContact CB-SD 4.36Å; D79-M294 WeakPolarHBondContact OD1-CE 3.34Å; Y82-M294 HydrophobicContact CD1-CB 3.52Å; Y82-M294 HydrophobicContact CD1-CE 3.92Å; Y82-M294 HydrophobicContact CD1-CG 3.9Å; Y82-M294 HydrophobicContact CD2-CB 3.82Å; Y82-M294 HydrophobicContact CD2-CG 3.76Å; Y82-M294 HydrophobicContact CE1-CB 3.44Å; Y82-M294 VanDerWaalsContact CE1-CB 3.44Å; Y82-M294 HydrophobicContact CE1-CG 4.29Å; Y82-M294 HydrophobicContact CE2-CB 3.75Å; Y82-M294 HydrophobicContact CE2-CG 4.17Å; Y82-M294 HydrophobicContact CG-CB 3.73Å; Y82-M294 HydrophobicContact CG-CE 4.13Å; Y82-M294 HydrophobicContact CG-CG 3.63Å; K83-M294 HydrophobicContact CG-CE 4.34Å; C91-M294 HydrophobicContact CB-CB 4.31Å; C91-M294 HydrophobicContact CB-CG 3.66Å; C91-M294 PolarHBondContact O-N 2.97Å; L93-M294 HydrophobicContact CD1-SD 3.66Å; L93-M294 HydrophobicContact CG-SD 4.15Å
295	S	95.7	Very high	97.9	Very high	90 Å²	90	49.1 Å²	49.1	63%	0.629	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.7	174.4	65.6	0	0	0	0	113.9	S293	S293-S295 PolarHBondContact O-N 3.45Å; S293-S295 PolarHBondContact OG-N 2.8Å; S293-S295 PolarHBondContact OG-OG 2.85Å
296	D	97.2	Very high	97.9	Very high	28 Å²	28	48 Å²	48	15%	0.15	26%	0.259	C	S	.	.			trans	-111.3	113.1	-177.2	171.6	26.1	0	0	0	110.3	G291 H292 S293 G298 Y301	G291-D296 WeakPolarHBondContact CA-O 3.46Å; H292-D296 HydrophobicContact CB-CB 4.14Å; H292-D296 VanDerWaalsContact CB-OD2 3.27Å; H292-D296 WeakPolarHBondContact CB-OD2 3.24Å; H292-D296 PolarHBondContact N-OD2 3.04Å; S293-D296 PolarHBondContact O-N 2.76Å; D296-G298 PolarHBondContact O-N 3.48Å; D296-G298 WeakPolarHBondContact OD1-CA 3.32Å; D296-G298 PolarHBondContact OD1-N 2.58Å; D296-Y301 WeakPolarHBondContact OD2-CE1 3.35Å; D296-Y301 PolarHBondContact OD2-OH 3.14Å; D296-Y301 VanDerWaalsContact OD2-OH 3.04Å
297	P	95.6	Very high	97.9	Very high	106 Å²	106	49 Å²	49	69%	0.688	26%	0.263	S	S	*	.			trans	-63.2	-21.2	174.8	-24.1	35.3	0	0	0	114.3	V299	P297-V299 HydrophobicContact CB-CG2 4.23Å; P297-V299 PolarHBondContact O-N 3.18Å
298	G	96.8	Very high	97.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	72.1	24.5	174.9	0	0	0	0	0	115.9	D296 Y301 R302	D296-G298 PolarHBondContact O-N 3.48Å; D296-G298 WeakPolarHBondContact OD1-CA 3.32Å; D296-G298 PolarHBondContact OD1-N 2.58Å; G298-Y301 WeakPolarHBondContact CA-OH 3.13Å; G298-R302 WeakPolarHBondContact O-CG 3.47Å; G298-R302 PolarHBondContact O-NE 2.91Å
299	V	96.8	Very high	97.8	Very high	65 Å²	65	59.1 Å²	59.1	39%	0.394	31%	0.311	S	S	.	.			trans	-121	-1.5	-177.8	-60.9	0	0	0	0	114.2	P297 R302 R304	P297-V299 HydrophobicContact CB-CG2 4.23Å; P297-V299 PolarHBondContact O-N 3.18Å; V299-R302 CarbonylContact C-O 3.6Å; V299-R302 WeakPolarHBondContact CA-O 3.41Å; V299-R304 HydrophobicContact CG1-CG 3.9Å
300	S	97.6	Very high	97.8	Very high	109 Å²	109	59.5 Å²	59.5	76%	0.762	31%	0.314	S	S	*	.	S	Bend	trans	-82.4	-17.4	177.1	54.3	0	0	0	0	113.3
301	Y	97.9	Very high	97.8	Very high	43 Å²	43	61.2 Å²	61.2	17%	0.169	32%	0.319	C	S	.	.	S	Bend	trans	-129.1	2.1	-173.4	58.2	-100.6	0	0	0	113.6	Y227 M229 G230 R288 D296 G298	Y227-Y301 AromaticContact CD1-CD2 3.6Å; Y227-Y301 HydrophobicContact CD1-CD2 3.6Å; Y227-Y301 AromaticContact CD1-CE2 3.87Å; Y227-Y301 HydrophobicContact CD1-CE2 3.87Å; Y227-Y301 HydrophobicContact CD2-CE2 4.48Å; Y227-Y301 AromaticContact CE1-CD2 3.87Å; Y227-Y301 HydrophobicContact CE1-CD2 3.87Å; Y227-Y301 HydrophobicContact CE1-CE2 4.38Å; Y227-Y301 HydrophobicContact CG-CD2 4.15Å; Y227-Y301 AromaticContact CG-CE2 3.93Å; Y227-Y301 HydrophobicContact CG-CE2 3.93Å; M229-Y301 PolarHBondContact O-OH 2.65Å; G230-Y301 WeakPolarHBondContact O-CB 3.43Å; R288-Y301 PolarHBondContact NH1-OH 3.14Å; R288-Y301 PolarHBondContact NH2-OH 3Å; R288-Y301 VanDerWaalsContact NH2-OH 3.1Å; D296-Y301 WeakPolarHBondContact OD2-CE1 3.35Å; D296-Y301 PolarHBondContact OD2-OH 3.14Å; D296-Y301 VanDerWaalsContact OD2-OH 3.04Å; G298-Y301 WeakPolarHBondContact CA-OH 3.13Å
302	R	98.1	Very high	97.7	Very high	13 Å²	13	65 Å²	65	5%	0.049	34%	0.344	C	S	.	.	S	Bend	trans	-157.2	158.4	174.8	62.9	179.2	-178.9	174.2	4.4	109.8	Y227 Y287 R288 Y289 H290 G298 V299	Y227-R302 HydrophobicContact CE1-CB 4.15Å; Y227-R302 HydrophobicContact CE2-CB 4.22Å; Y227-R302 WeakPolarHBondContact OH-CB 3.13Å; Y287-R302 VanDerWaalsContact CZ-NH1 3.32Å; Y287-R302 WeakPolarHBondContact OH-CD 3.5Å; Y287-R302 PolarHBondContact OH-NH1 3.25Å; Y287-R302 VanDerWaalsContact OH-NH1 3.17Å; R288-R302 PolarHBondContact O-NH1 3.24Å; R288-R302 PolarHBondContact O-NH2 3.22Å; Y289-R302 PolarHBondContact O-NH2 2.88Å; Y289-R302 VanDerWaalsContact O-NH2 3.16Å; H290-R302 PolarHBondContact O-NH2 3.42Å; G298-R302 WeakPolarHBondContact O-CG 3.47Å; G298-R302 PolarHBondContact O-NE 2.91Å; V299-R302 CarbonylContact C-O 3.6Å; V299-R302 WeakPolarHBondContact CA-O 3.41Å
303	T	98.4	Very high	97.7	Very high	74 Å²	74	70.4 Å²	70.4	45%	0.454	37%	0.367	S	S	.	.			trans	-88.7	158.6	-176.2	68	0	0	0	0	111.7	E305 E306	T303-E305 VanDerWaalsContact CB-OE2 3.32Å; T303-E305 WeakPolarHBondContact CB-OE2 3.47Å; T303-E306 WeakPolarHBondContact OG1-CB 3.34Å; T303-E306 PolarHBondContact OG1-N 2.86Å; T303-E306 VanDerWaalsContact OG1-N 3.08Å
304	R	97.6	Very high	97.7	Very high	178 Å²	178	72 Å²	72	67%	0.672	38%	0.379	S	S	*	.	H	α-helix	trans	-69.6	-31.1	173.5	-71	179.8	177.3	155.2	-0	110.9	V299 I307 Q308	V299-R304 HydrophobicContact CG1-CG 3.9Å; R304-I307 PolarHBondContact O-N 2.83Å; R304-Q308 WeakPolarHBondContact O-CB 3.03Å; R304-Q308 PolarHBondContact O-N 3.4Å
305	E	98.4	Very high	97.8	Very high	134 Å²	134	70.7 Å²	70.7	63%	0.626	37%	0.373	S	S	*	.	H	α-helix	trans	-62.1	-43.6	177.2	-64.9	67.5	-149.1	0	0	110.7	T303 I307 Q308 E309	T303-E305 VanDerWaalsContact CB-OE2 3.32Å; T303-E305 WeakPolarHBondContact CB-OE2 3.47Å; E305-I307 PolarHBondContact O-N 3.29Å; E305-Q308 PolarHBondContact O-N 2.74Å; E305-E309 VanDerWaalsContact O-CB 3.26Å; E305-E309 WeakPolarHBondContact O-CB 3.32Å; E305-E309 PolarHBondContact O-N 3.36Å
306	E	98.4	Very high	97.9	Very high	40 Å²	40	66.5 Å²	66.5	19%	0.187	34%	0.343	C	S	.	.	H	α-helix	trans	-58.6	-48.1	174.7	-177.6	-171.1	135.7	0	0	111.3	R226 Y227 Y287 T303 Q308 E309 V310	R226-E306 IonicContact NH1-OE1 3.4Å; Y227-E306 WeakPolarHBondContact CE2-OE1 3.1Å; Y227-E306 VanDerWaalsContact OH-CD 3.31Å; Y227-E306 PolarHBondContact OH-OE1 2.81Å; Y227-E306 PolarHBondContact OH-OE2 3.3Å; Y287-E306 VanDerWaalsContact CE2-OE1 3.29Å; Y287-E306 WeakPolarHBondContact CE2-OE1 3.48Å; Y287-E306 PolarHBondContact OH-OE1 3.1Å; T303-E306 WeakPolarHBondContact OG1-CB 3.34Å; T303-E306 PolarHBondContact OG1-N 2.86Å; T303-E306 VanDerWaalsContact OG1-N 3.08Å; E306-Q308 VanDerWaalsContact C-N 3.35Å; E306-Q308 PolarHBondContact O-N 3.21Å; E306-E309 PolarHBondContact O-N 3.06Å; E306-V310 WeakPolarHBondContact O-CG2 3.42Å; E306-V310 PolarHBondContact O-N 3.2Å
307	I	98.3	Very high	98	Very high	24 Å²	24	65.5 Å²	65.5	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-44.9	179.9	-58.7	168.6	0	0	0	110.4	Y287 Y289 R304 E305 V310 R311	Y287-I307 HydrophobicContact CE1-CG1 4.14Å; Y289-I307 HydrophobicContact CD1-CG2 4.34Å; R304-I307 PolarHBondContact O-N 2.83Å; E305-I307 PolarHBondContact O-N 3.29Å; I307-V310 PolarHBondContact O-N 2.98Å; I307-R311 WeakPolarHBondContact O-CB 3.38Å; I307-R311 PolarHBondContact O-N 3.46Å
308	Q	98.3	Very high	98.1	Very high	115 Å²	115	63.1 Å²	63.1	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-68.5	-36.3	-179.3	-174.3	60.9	25.5	0	0	112.1	R304 E305 E306 R311 S312	R304-Q308 WeakPolarHBondContact O-CB 3.03Å; R304-Q308 PolarHBondContact O-N 3.4Å; E305-Q308 PolarHBondContact O-N 2.74Å; E306-Q308 VanDerWaalsContact C-N 3.35Å; E306-Q308 PolarHBondContact O-N 3.21Å; Q308-R311 PolarHBondContact O-N 2.99Å; Q308-S312 VanDerWaalsContact O-CB 3.3Å; Q308-S312 WeakPolarHBondContact O-CB 3.49Å; Q308-S312 PolarHBondContact O-N 2.94Å; Q308-S312 PolarHBondContact O-OG 3.16Å
309	E	98.4	Very high	98.2	Very high	101 Å²	101	65.8 Å²	65.8	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-62.5	-49.2	174.5	-178.6	173.4	-168.1	0	0	110.6	E305 E306 R311 S312 K313	E305-E309 VanDerWaalsContact O-CB 3.26Å; E305-E309 WeakPolarHBondContact O-CB 3.32Å; E305-E309 PolarHBondContact O-N 3.36Å; E306-E309 PolarHBondContact O-N 3.06Å; E309-R311 PolarHBondContact O-N 3.43Å; E309-S312 PolarHBondContact O-N 3.08Å; E309-S312 PolarHBondContact O-OG 3.38Å; E309-S312 VanDerWaalsContact O-OG 3.09Å; E309-K313 HydrophobicContact CG-CD 3.81Å; E309-K313 HydrophobicContact CG-CG 4.5Å; E309-K313 WeakPolarHBondContact O-CB 3.44Å; E309-K313 WeakPolarHBondContact O-CG 3.49Å; E309-K313 PolarHBondContact O-N 2.98Å; E309-K313 IonicContact OE1-NZ 3.63Å; E309-K313 PolarHBondContact OE1-NZ 3.18Å
310	V	98.5	Very high	98.3	Very high	16 Å²	16	62.7 Å²	62.7	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-47.3	177.1	175.6	0	0	0	0	110.8	M257 Y287 Y289 E306 I307 S312 K313 S314	M257-V310 HydrophobicContact CE-CG1 4.07Å; Y287-V310 HydrophobicContact CD1-CB 4.3Å; Y287-V310 HydrophobicContact CD1-CG1 4.02Å; Y287-V310 HydrophobicContact CD1-CG2 4.44Å; Y287-V310 HydrophobicContact CD2-CG1 4.48Å; Y287-V310 HydrophobicContact CD2-CG2 4.15Å; Y287-V310 HydrophobicContact CE2-CG2 4.26Å; Y287-V310 HydrophobicContact CG-CB 4.37Å; Y287-V310 HydrophobicContact CG-CG1 3.84Å; Y287-V310 HydrophobicContact CG-CG2 4.23Å; Y289-V310 HydrophobicContact CE1-CG1 4.31Å; E306-V310 WeakPolarHBondContact O-CG2 3.42Å; E306-V310 PolarHBondContact O-N 3.2Å; I307-V310 PolarHBondContact O-N 2.98Å; V310-S312 VanDerWaalsContact C-N 3.34Å; V310-S312 PolarHBondContact O-N 3.47Å; V310-K313 PolarHBondContact O-N 2.86Å; V310-S314 CarbonylContact O-C 2.87Å; V310-S314 WeakPolarHBondContact O-CA 3.22Å; V310-S314 PolarHBondContact O-N 3.19Å
311	R	98.1	Very high	98.4	Very high	80 Å²	80	60.7 Å²	60.7	30%	0.302	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-38.3	179.7	-173.4	-173.2	-71.1	-93.8	7.1	112.7	D95 Y289 I307 Q308 E309 D315	D95-R311 IonicContact OD2-NH2 2.76Å; Y289-R311 HydrophobicContact CD1-CB 4.4Å; Y289-R311 HydrophobicContact CE1-CB 3.8Å; Y289-R311 HydrophobicContact CE1-CG 4.25Å; Y289-R311 HydrophobicContact CE2-CG 4.31Å; Y289-R311 VanDerWaalsContact CG-NH2 3.29Å; I307-R311 WeakPolarHBondContact O-CB 3.38Å; I307-R311 PolarHBondContact O-N 3.46Å; Q308-R311 PolarHBondContact O-N 2.99Å; E309-R311 PolarHBondContact O-N 3.43Å; R311-D315 WeakPolarHBondContact O-CB 3.33Å
312	S	97.9	Very high	98.4	Very high	84 Å²	84	63.3 Å²	63.3	59%	0.587	31%	0.313	S	S	*	.	H	α-helix	trans	-78.1	-31.3	-178	57.9	0	0	0	0	113.4	Q308 E309 V310	Q308-S312 VanDerWaalsContact O-CB 3.3Å; Q308-S312 WeakPolarHBondContact O-CB 3.49Å; Q308-S312 PolarHBondContact O-N 2.94Å; Q308-S312 PolarHBondContact O-OG 3.16Å; E309-S312 PolarHBondContact O-N 3.08Å; E309-S312 PolarHBondContact O-OG 3.38Å; E309-S312 VanDerWaalsContact O-OG 3.09Å; V310-S312 VanDerWaalsContact C-N 3.34Å; V310-S312 PolarHBondContact O-N 3.47Å
313	K	97.9	Very high	98.4	Very high	135 Å²	135	64.7 Å²	64.7	59%	0.587	32%	0.318	S	S	*	.	H	α-helix	trans	-98.6	-25.7	-175.3	-65.6	-177.2	179.9	176.1	0	114.5	E309 V310	E309-K313 HydrophobicContact CG-CD 3.81Å; E309-K313 HydrophobicContact CG-CG 4.5Å; E309-K313 WeakPolarHBondContact O-CB 3.44Å; E309-K313 WeakPolarHBondContact O-CG 3.49Å; E309-K313 PolarHBondContact O-N 2.98Å; E309-K313 IonicContact OE1-NZ 3.63Å; E309-K313 PolarHBondContact OE1-NZ 3.18Å; V310-K313 PolarHBondContact O-N 2.86Å
314	S	98.2	Very high	98.5	Very high	43 Å²	43	61.2 Å²	61.2	30%	0.301	30%	0.297	S	S	.	.	H	α-helix	trans	-142.9	18.9	-165	-53	0	0	0	0	113.5	M257 V310	M257-S314 WeakPolarHBondContact CE-O 3.31Å; V310-S314 CarbonylContact O-C 2.87Å; V310-S314 WeakPolarHBondContact O-CA 3.22Å; V310-S314 PolarHBondContact O-N 3.19Å
315	D	98.9	Very high	98.5	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.037	28%	0.277	C	S	.	.			trans	-60.9	126.7	176	173.1	-96.6	0	0	0	111.3	R72 Y289 R311 I317 S318 L319	R72-D315 IonicContact CZ-OD2 3.59Å; R72-D315 VanDerWaalsContact CZ-OD2 3.28Å; R72-D315 IonicContact NH1-OD1 2.71Å; R72-D315 IonicContact NH1-OD2 2.92Å; R72-D315 PolarHBondContact NH1-OD2 2.76Å; R72-D315 IonicContact NH2-OD2 2.68Å; R72-D315 PolarHBondContact NH2-OD2 3.08Å; Y289-D315 VanDerWaalsContact OH-CA 3.3Å; Y289-D315 WeakPolarHBondContact OH-CA 3.49Å; Y289-D315 VanDerWaalsContact OH-CB 3.25Å; Y289-D315 WeakPolarHBondContact OH-CB 3.26Å; Y289-D315 PolarHBondContact OH-OD2 3.3Å; R311-D315 WeakPolarHBondContact O-CB 3.33Å; D315-I317 VanDerWaalsContact C-N 3.29Å; D315-I317 PolarHBondContact O-N 2.89Å; D315-I317 PolarHBondContact OD1-N 3.46Å; D315-S318 PolarHBondContact O-N 3.3Å; D315-S318 VanDerWaalsContact O-N 3.13Å; D315-S318 PolarHBondContact OD1-N 3.42Å; D315-S318 PolarHBondContact OD1-OG 2.69Å; D315-L319 WeakPolarHBondContact O-CG 3.12Å; D315-L319 PolarHBondContact O-N 2.91Å
316	P	98.9	Very high	98.5	Very high	1 Å²	1	53 Å²	53	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-33.3	-167.9	23.8	-33.9	0	0	0	113	M68 E98 A99 M257 L320	M68-P316 HydrophobicContact SD-CB 4.25Å; E98-P316 HydrophobicContact CB-CG 4.38Å; E98-P316 WeakPolarHBondContact OE2-CG 3.35Å; A99-P316 HydrophobicContact CB-CB 3.61Å; M257-P316 WeakPolarHBondContact O-CA 3.42Å; M257-P316 WeakPolarHBondContact O-CB 3.36Å; P316-L320 PolarHBondContact O-N 3.34Å
317	I	98.9	Very high	98.4	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-72.1	-43.7	177.9	-58.5	178.6	0	0	0	110	Y65 M68 R72 D315 L320 K321	Y65-I317 HydrophobicContact CD2-CG2 4.08Å; Y65-I317 HydrophobicContact CE2-CG2 3.58Å; M68-I317 HydrophobicContact CB-CD1 4.15Å; M68-I317 HydrophobicContact CB-CG1 3.79Å; M68-I317 WeakPolarHBondContact O-CD1 3.25Å; R72-I317 HydrophobicContact CB-CD1 3.67Å; R72-I317 HydrophobicContact CG-CD1 4.11Å; D315-I317 VanDerWaalsContact C-N 3.29Å; D315-I317 PolarHBondContact O-N 2.89Å; D315-I317 PolarHBondContact OD1-N 3.46Å; I317-L320 PolarHBondContact O-N 2.93Å; I317-K321 VanDerWaalsContact O-CB 3.32Å; I317-K321 WeakPolarHBondContact O-CB 3.49Å; I317-K321 PolarHBondContact O-N 3.17Å
318	S	98.7	Very high	98.4	Very high	56 Å²	56	55.4 Å²	55.4	39%	0.392	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.8	-52.1	0	0	0	0	111.5	D315 L320 K321 D322	D315-S318 PolarHBondContact O-N 3.3Å; D315-S318 VanDerWaalsContact O-N 3.13Å; D315-S318 PolarHBondContact OD1-N 3.42Å; D315-S318 PolarHBondContact OD1-OG 2.69Å; S318-L320 PolarHBondContact O-N 2.93Å; S318-K321 WeakPolarHBondContact O-CB 3.25Å; S318-K321 PolarHBondContact O-N 2.89Å; S318-D322 PolarHBondContact O-N 3.07Å
319	L	98.8	Very high	98.4	Very high	56 Å²	56	49.9 Å²	49.9	29%	0.293	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-45.4	176.5	-70.3	176.7	0	0	0	112.3	D315 R323	D315-L319 WeakPolarHBondContact O-CG 3.12Å; D315-L319 PolarHBondContact O-N 2.91Å; L319-R323 PolarHBondContact O-N 3.06Å
320	L	98.9	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.1	-41.8	177.2	178.7	61.2	0	0	0	111.9	M56 M68 I259 P316 I317 S318 D322 R323 L324	M56-L320 HydrophobicContact CE-CD1 3.96Å; M56-L320 HydrophobicContact SD-CD1 3.83Å; M68-L320 HydrophobicContact CE-CB 3.9Å; M68-L320 HydrophobicContact CE-CD2 3.35Å; M68-L320 HydrophobicContact CE-CG 4.26Å; I259-L320 HydrophobicContact CG2-CB 4.29Å; I259-L320 HydrophobicContact CG2-CD1 4.1Å; I259-L320 HydrophobicContact CG2-CD2 4.41Å; I259-L320 HydrophobicContact CG2-CG 4.5Å; P316-L320 PolarHBondContact O-N 3.34Å; I317-L320 PolarHBondContact O-N 2.93Å; S318-L320 PolarHBondContact O-N 2.93Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 3.41Å; L320-R323 WeakPolarHBondContact O-CB 3.46Å; L320-R323 PolarHBondContact O-N 3.45Å; L320-L324 HydrophobicContact CD1-CD1 4.42Å; L320-L324 HydrophobicContact CD1-CG 4.29Å; L320-L324 HydrophobicContact CG-CD1 4.09Å; L320-L324 HydrophobicContact CG-CG 4.42Å; L320-L324 WeakPolarHBondContact O-CG 3.27Å; L320-L324 PolarHBondContact O-N 3.19Å
321	K	98.8	Very high	98.3	Very high	66 Å²	66	45.7 Å²	45.7	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-55.7	-49	175.8	173.1	173	179.2	178.6	0	111.4	Y65 I317 S318 R323 L324 L325 L335	Y65-K321 HydrophobicContact CD2-CB 4.44Å; Y65-K321 HydrophobicContact CE2-CB 3.96Å; I317-K321 VanDerWaalsContact O-CB 3.32Å; I317-K321 WeakPolarHBondContact O-CB 3.49Å; I317-K321 PolarHBondContact O-N 3.17Å; S318-K321 WeakPolarHBondContact O-CB 3.25Å; S318-K321 PolarHBondContact O-N 2.89Å; K321-R323 VanDerWaalsContact C-N 3.28Å; K321-R323 PolarHBondContact O-N 3Å; K321-L324 PolarHBondContact O-N 2.91Å; K321-L325 HydrophobicContact CG-CD1 3.8Å; K321-L325 HydrophobicContact CG-CG 4.32Å; K321-L325 VanDerWaalsContact O-CG 3.31Å; K321-L325 WeakPolarHBondContact O-CG 3.35Å; K321-L325 PolarHBondContact O-N 3.37Å; K321-L335 HydrophobicContact CB-CD1 4.37Å; K321-L335 HydrophobicContact CD-CD1 4.44Å; K321-L335 HydrophobicContact CG-CD1 3.77Å
322	D	98.6	Very high	98.2	Very high	98 Å²	98	44.5 Å²	44.5	52%	0.524	25%	0.25	S	S	.	.	H	α-helix	trans	-62.5	-38.4	-179.2	-70.9	-14.2	0	0	0	111.3	S318 L320 S326	S318-D322 PolarHBondContact O-N 3.07Å; L320-D322 VanDerWaalsContact C-N 3.33Å; L320-D322 PolarHBondContact O-N 3.41Å; D322-S326 WeakPolarHBondContact O-CB 3.39Å; D322-S326 PolarHBondContact O-N 3.18Å; D322-S326 PolarHBondContact O-OG 3.16Å
323	R	98.6	Very high	98.2	Very high	43 Å²	43	45.8 Å²	45.8	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-47.7	173	-79	-178.6	175.3	161	1.9	112.8	F36 D258 L319 L320 K321 L325 S326 N327	F36-R323 HydrophobicContact CD1-CB 4.24Å; F36-R323 HydrophobicContact CD1-CG 3.88Å; F36-R323 HydrophobicContact CE1-CB 3.57Å; F36-R323 HydrophobicContact CE1-CG 3.71Å; F36-R323 HydrophobicContact CZ-CB 4.2Å; D258-R323 VanDerWaalsContact CG-NH1 3.3Å; D258-R323 IonicContact OD1-CZ 3.04Å; D258-R323 IonicContact OD1-NH1 3.89Å; D258-R323 PolarHBondContact OD1-NH1 2.79Å; D258-R323 IonicContact OD1-NH2 3.74Å; D258-R323 IonicContact OD2-CZ 3.99Å; D258-R323 IonicContact OD2-NH1 3.98Å; D258-R323 PolarHBondContact OD2-NH1 3.01Å; D258-R323 IonicContact OD2-NH2 3.57Å; D258-R323 PolarHBondContact OD2-NH2 3.25Å; L319-R323 PolarHBondContact O-N 3.06Å; L320-R323 WeakPolarHBondContact O-CB 3.46Å; L320-R323 PolarHBondContact O-N 3.45Å; K321-R323 VanDerWaalsContact C-N 3.28Å; K321-R323 PolarHBondContact O-N 3Å; R323-L325 PolarHBondContact O-N 3.49Å; R323-S326 PolarHBondContact O-OG 3.5Å; R323-N327 WeakPolarHBondContact O-CB 3.45Å; R323-N327 PolarHBondContact O-N 2.94Å; R323-N327 PolarHBondContact O-ND2 2.92Å
324	L	98.6	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-44.4	179.4	-71.9	170.7	0	0	0	111.9	M56 L320 K321 N328 M329 A330 L335	M56-L324 HydrophobicContact CE-CD2 3.81Å; M56-L324 HydrophobicContact CE-CG 4.47Å; L320-L324 HydrophobicContact CD1-CD1 4.42Å; L320-L324 HydrophobicContact CD1-CG 4.29Å; L320-L324 HydrophobicContact CG-CD1 4.09Å; L320-L324 HydrophobicContact CG-CG 4.42Å; L320-L324 WeakPolarHBondContact O-CG 3.27Å; L320-L324 PolarHBondContact O-N 3.19Å; K321-L324 PolarHBondContact O-N 2.91Å; L324-N328 PolarHBondContact O-N 3.39Å; L324-M329 HydrophobicContact CD2-CB 3.94Å; L324-M329 HydrophobicContact CD2-SD 4.3Å; L324-M329 WeakPolarHBondContact O-CB 3.45Å; L324-M329 PolarHBondContact O-N 3.33Å; L324-A330 HydrophobicContact CB-CB 4.18Å; L324-A330 PolarHBondContact O-N 3.02Å; L324-L335 HydrophobicContact CD1-CD2 4.1Å
325	L	98.3	Very high	98.2	Very high	50 Å²	50	38.6 Å²	38.6	26%	0.262	21%	0.211	S	C	.	.	H	α-helix	trans	-72.4	-47.9	-178.1	-64.8	178	0	0	0	112	K321 R323 N327 N328 A330 V332 L335	K321-L325 HydrophobicContact CG-CD1 3.8Å; K321-L325 HydrophobicContact CG-CG 4.32Å; K321-L325 VanDerWaalsContact O-CG 3.31Å; K321-L325 WeakPolarHBondContact O-CG 3.35Å; K321-L325 PolarHBondContact O-N 3.37Å; R323-L325 PolarHBondContact O-N 3.49Å; L325-N327 PolarHBondContact O-N 3.07Å; L325-N328 PolarHBondContact O-N 2.71Å; L325-N328 VanDerWaalsContact O-N 3.14Å; L325-A330 WeakPolarHBondContact CD2-O 3.45Å; L325-V332 HydrophobicContact CD1-CG2 3.93Å; L325-V332 HydrophobicContact CD2-CG2 3.84Å; L325-L335 HydrophobicContact CD2-CD1 4.03Å; L325-L335 HydrophobicContact CG-CD1 4.17Å
326	S	97.8	Very high	98.1	Very high	91 Å²	91	43.9 Å²	43.9	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-65.1	-24.4	-177.8	57.6	0	0	0	0	113.6	D322 R323	D322-S326 WeakPolarHBondContact O-CB 3.39Å; D322-S326 PolarHBondContact O-N 3.18Å; D322-S326 PolarHBondContact O-OG 3.16Å; R323-S326 PolarHBondContact O-OG 3.5Å
327	N	97.9	Very high	98.1	Very high	56 Å²	56	49.7 Å²	49.7	30%	0.299	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.6	178.3	-69.5	-88.8	0	0	0	113.3	T31 A34 F36 R323 L325 M329	T31-N327 VanDerWaalsContact CB-O 3.28Å; T31-N327 WeakPolarHBondContact CB-O 3.38Å; T31-N327 PolarHBondContact OG1-O 3.47Å; A34-N327 HydrophobicContact CB-CB 3.99Å; F36-N327 VanDerWaalsContact CE1-ND2 3.32Å; F36-N327 WeakPolarHBondContact CE1-ND2 3.29Å; F36-N327 HydrophobicContact CZ-CB 4.35Å; R323-N327 WeakPolarHBondContact O-CB 3.45Å; R323-N327 PolarHBondContact O-N 2.94Å; R323-N327 PolarHBondContact O-ND2 2.92Å; L325-N327 PolarHBondContact O-N 3.07Å; N327-M329 HydrophobicContact CB-CG 3.92Å; N327-M329 HydrophobicContact CB-SD 4.19Å; N327-M329 PolarHBondContact O-N 3.07Å
328	N	97.4	Very high	98.1	Very high	57 Å²	57	49.7 Å²	49.7	31%	0.305	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.3	-179	-170.9	59.1	0	0	0	112.3	R25 D29 F30 T31 L324 L325	R25-N328 PolarHBondContact NH1-OD1 2.81Å; D29-N328 PolarHBondContact O-ND2 2.99Å; F30-N328 CarbonylContact C-O 3.47Å; F30-N328 WeakPolarHBondContact CA-O 3.31Å; F30-N328 WeakPolarHBondContact CD1-O 2.94Å; T31-N328 PolarHBondContact N-O 3.49Å; L324-N328 PolarHBondContact O-N 3.39Å; L325-N328 PolarHBondContact O-N 2.71Å; L325-N328 VanDerWaalsContact O-N 3.14Å
329	M	97.8	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-90.9	-28.3	178.1	-58.8	-178.1	79.2	0	0	111.7	T31 A34 F36 M56 R58 L324 N327	T31-M329 HydrophobicContact CG2-CG 4.38Å; A34-M329 HydrophobicContact CB-CE 4.26Å; A34-M329 HydrophobicContact CB-CG 4.34Å; A34-M329 HydrophobicContact CB-SD 3.64Å; F36-M329 HydrophobicContact CE2-SD 4.07Å; F36-M329 HydrophobicContact CZ-SD 3.72Å; M56-M329 HydrophobicContact CE-CE 4.23Å; M56-M329 HydrophobicContact CE-SD 3.99Å; M56-M329 WeakPolarHBondContact O-CE 3.5Å; R58-M329 HydrophobicContact CB-CE 4.2Å; R58-M329 WeakPolarHBondContact CD-O 3.47Å; R58-M329 VanDerWaalsContact CG-O 3.26Å; R58-M329 WeakPolarHBondContact CG-O 3.32Å; R58-M329 PolarHBondContact NE-O 3.49Å; L324-M329 HydrophobicContact CD2-CB 3.94Å; L324-M329 HydrophobicContact CD2-SD 4.3Å; L324-M329 WeakPolarHBondContact O-CB 3.45Å; L324-M329 PolarHBondContact O-N 3.33Å; N327-M329 HydrophobicContact CB-CG 3.92Å; N327-M329 HydrophobicContact CB-SD 4.19Å; N327-M329 PolarHBondContact O-N 3.07Å
330	A	97.5	Very high	98.1	Very high	4 Å²	4	51 Å²	51	3%	0.033	27%	0.267	C	S	.	.	S	Bend	trans	-142.4	161.6	174.9	0	0	0	0	0	110.4	L62 L324 L325 L335	L62-A330 HydrophobicContact CD2-CB 3.89Å; L324-A330 HydrophobicContact CB-CB 4.18Å; L324-A330 PolarHBondContact O-N 3.02Å; L325-A330 WeakPolarHBondContact CD2-O 3.45Å; A330-L335 HydrophobicContact CB-CD2 4.06Å; A330-L335 HydrophobicContact CB-CG 4.2Å
331	S	97.2	Very high	98.1	Very high	24 Å²	24	55.7 Å²	55.7	17%	0.168	29%	0.289	C	S	.	.			trans	-95	164.5	169.4	67.2	0	0	0	0	111.7	E333 E334 L335	S331-E333 PolarHBondContact O-N 3.24Å; S331-E334 PolarHBondContact O-N 3.44Å; S331-E334 WeakPolarHBondContact OG-CB 3.44Å; S331-E334 PolarHBondContact OG-N 2.95Å; S331-E334 VanDerWaalsContact OG-N 3.07Å; S331-L335 WeakPolarHBondContact O-CG 3.41Å; S331-L335 PolarHBondContact O-N 2.79Å
332	V	97.3	Very high	98.1	Very high	55 Å²	55	52.6 Å²	52.6	33%	0.333	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-36.2	173.9	174	0	0	0	0	110.5	L325 K336	L325-V332 HydrophobicContact CD1-CG2 3.93Å; L325-V332 HydrophobicContact CD2-CG2 3.84Å; V332-K336 HydrophobicContact CG1-CD 4.15Å; V332-K336 VanDerWaalsContact O-CG 3.28Å; V332-K336 WeakPolarHBondContact O-CG 3.37Å; V332-K336 PolarHBondContact O-N 3.15Å; V332-K336 VanDerWaalsContact O-N 3.07Å
333	E	97.4	Very high	98.1	Very high	111 Å²	111	55.1 Å²	55.1	52%	0.519	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-45.9	179.6	-66.4	63.2	-137.4	0	0	110.9	S331 L335 K336 E337	S331-E333 PolarHBondContact O-N 3.24Å; E333-L335 PolarHBondContact O-N 2.94Å; E333-K336 WeakPolarHBondContact O-CB 3.43Å; E333-K336 PolarHBondContact O-N 2.78Å; E333-K336 VanDerWaalsContact O-N 3.16Å; E333-E337 WeakPolarHBondContact O-CG 3.35Å; E333-E337 PolarHBondContact O-N 3.11Å
334	E	97.3	Very high	98.1	Very high	26 Å²	26	59.6 Å²	59.6	12%	0.121	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-44.2	178.3	180	171.3	-134.1	0	0	112	R58 S331 K336 E337 I338	R58-E334 IonicContact CZ-OE1 3.18Å; R58-E334 IonicContact CZ-OE2 3.99Å; R58-E334 IonicContact NH2-OE1 2.69Å; R58-E334 PolarHBondContact NH2-OE1 3.22Å; R58-E334 IonicContact NH2-OE2 2.74Å; R58-E334 PolarHBondContact NH2-OE2 3.28Å; S331-E334 PolarHBondContact O-N 3.44Å; S331-E334 WeakPolarHBondContact OG-CB 3.44Å; S331-E334 PolarHBondContact OG-N 2.95Å; S331-E334 VanDerWaalsContact OG-N 3.07Å; E334-K336 VanDerWaalsContact C-N 3.29Å; E334-K336 PolarHBondContact O-N 3.37Å; E334-E337 WeakPolarHBondContact O-CB 3Å; E334-E337 PolarHBondContact O-N 3.18Å; E334-I338 WeakPolarHBondContact O-CG1 3.48Å; E334-I338 PolarHBondContact O-N 3.42Å; E334-I338 VanDerWaalsContact O-N 3.07Å
335	L	98.4	Very high	98.2	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-33.1	176.8	-61.2	-176.6	0	0	0	112.2	L62 Y65 K321 L324 L325 A330 S331 E333 I338 D339	L62-L335 HydrophobicContact CD2-CD2 3.78Å; Y65-L335 HydrophobicContact CD1-CD2 3.8Å; Y65-L335 HydrophobicContact CD2-CD2 4.46Å; Y65-L335 HydrophobicContact CE1-CB 4.03Å; Y65-L335 HydrophobicContact CE1-CD2 4.03Å; Y65-L335 HydrophobicContact CE2-CD1 4.5Å; Y65-L335 HydrophobicContact CG-CD2 4.05Å; K321-L335 HydrophobicContact CB-CD1 4.37Å; K321-L335 HydrophobicContact CD-CD1 4.44Å; K321-L335 HydrophobicContact CG-CD1 3.77Å; L324-L335 HydrophobicContact CD1-CD2 4.1Å; L325-L335 HydrophobicContact CD2-CD1 4.03Å; L325-L335 HydrophobicContact CG-CD1 4.17Å; A330-L335 HydrophobicContact CB-CD2 4.06Å; A330-L335 HydrophobicContact CB-CG 4.2Å; S331-L335 WeakPolarHBondContact O-CG 3.41Å; S331-L335 PolarHBondContact O-N 2.79Å; E333-L335 PolarHBondContact O-N 2.94Å; L335-I338 HydrophobicContact CD2-CD1 4.22Å; L335-I338 PolarHBondContact O-N 3.1Å; L335-D339 VanDerWaalsContact O-CG 3.28Å; L335-D339 PolarHBondContact O-N 3.15Å
336	K	98.1	Very high	98.2	Very high	118 Å²	118	61.4 Å²	61.4	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-36.7	173.1	-77.5	171.9	179.3	170.7	0	112.2	V332 E333 E334 I338 D339 V340	V332-K336 HydrophobicContact CG1-CD 4.15Å; V332-K336 VanDerWaalsContact O-CG 3.28Å; V332-K336 WeakPolarHBondContact O-CG 3.37Å; V332-K336 PolarHBondContact O-N 3.15Å; V332-K336 VanDerWaalsContact O-N 3.07Å; E333-K336 WeakPolarHBondContact O-CB 3.43Å; E333-K336 PolarHBondContact O-N 2.78Å; E333-K336 VanDerWaalsContact O-N 3.16Å; E334-K336 VanDerWaalsContact C-N 3.29Å; E334-K336 PolarHBondContact O-N 3.37Å; K336-I338 VanDerWaalsContact C-N 3.34Å; K336-D339 WeakPolarHBondContact O-CB 3.06Å; K336-D339 PolarHBondContact O-N 3.24Å; K336-V340 WeakPolarHBondContact O-CG2 3.47Å; K336-V340 PolarHBondContact O-N 3.48Å
337	E	98.6	Very high	98.2	Very high	123 Å²	123	60.5 Å²	60.5	58%	0.575	29%	0.291	S	S	*	.	H	α-helix	trans	-62.2	-44.8	174.3	-73.4	171.1	-175.4	0	0	110.5	E333 E334 D339 V340 E341	E333-E337 WeakPolarHBondContact O-CG 3.35Å; E333-E337 PolarHBondContact O-N 3.11Å; E334-E337 WeakPolarHBondContact O-CB 3Å; E334-E337 PolarHBondContact O-N 3.18Å; E337-D339 VanDerWaalsContact C-N 3.32Å; E337-D339 PolarHBondContact O-N 3.24Å; E337-V340 PolarHBondContact O-N 2.76Å; E337-V340 VanDerWaalsContact O-N 3.16Å; E337-E341 WeakPolarHBondContact O-CG 3.47Å; E337-E341 PolarHBondContact O-N 2.73Å
338	I	98.8	Very high	98.3	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-46.8	171.9	-63	173.8	0	0	0	110.8	L62 Y65 R66 E334 L335 K336 V340 E341 V342	L62-I338 HydrophobicContact CD2-CD1 3.98Å; Y65-I338 HydrophobicContact CD1-CB 4.39Å; Y65-I338 HydrophobicContact CD1-CD1 4.19Å; Y65-I338 HydrophobicContact CD1-CG2 3.98Å; Y65-I338 HydrophobicContact CE1-CB 4.34Å; Y65-I338 HydrophobicContact CE1-CG2 4.16Å; R66-I338 HydrophobicContact CB-CG2 3.74Å; R66-I338 HydrophobicContact CG-CG2 3.95Å; E334-I338 WeakPolarHBondContact O-CG1 3.48Å; E334-I338 PolarHBondContact O-N 3.42Å; E334-I338 VanDerWaalsContact O-N 3.07Å; L335-I338 HydrophobicContact CD2-CD1 4.22Å; L335-I338 PolarHBondContact O-N 3.1Å; K336-I338 VanDerWaalsContact C-N 3.34Å; I338-V340 VanDerWaalsContact C-N 3.29Å; I338-V340 PolarHBondContact O-N 3.45Å; I338-E341 PolarHBondContact O-N 3Å; I338-V342 HydrophobicContact CG2-CG2 4.12Å; I338-V342 WeakPolarHBondContact O-CB 3.43Å; I338-V342 VanDerWaalsContact O-CG2 3.27Å; I338-V342 WeakPolarHBondContact O-CG2 3.18Å; I338-V342 PolarHBondContact O-N 2.88Å
339	D	98.8	Very high	98.3	Very high	41 Å²	41	60.1 Å²	60.1	22%	0.219	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-39.7	178.4	-70.4	-28.4	0	0	0	112.6	Y65 Q69 L335 K336 E337 R343	Y65-D339 PolarHBondContact OH-OD1 2.92Å; Y65-D339 VanDerWaalsContact OH-OD1 3.07Å; Y65-D339 PolarHBondContact OH-OD2 3.31Å; Q69-D339 VanDerWaalsContact CD-OD1 3.28Å; Q69-D339 WeakPolarHBondContact CG-OD1 3.23Å; Q69-D339 PolarHBondContact NE2-OD1 2.68Å; L335-D339 VanDerWaalsContact O-CG 3.28Å; L335-D339 PolarHBondContact O-N 3.15Å; K336-D339 WeakPolarHBondContact O-CB 3.06Å; K336-D339 PolarHBondContact O-N 3.24Å; E337-D339 VanDerWaalsContact C-N 3.32Å; E337-D339 PolarHBondContact O-N 3.24Å; D339-R343 VanDerWaalsContact O-CB 3.27Å; D339-R343 WeakPolarHBondContact O-CB 3.36Å; D339-R343 PolarHBondContact O-N 3.28Å
340	V	98.8	Very high	98.4	Very high	100 Å²	100	60.4 Å²	60.4	61%	0.606	29%	0.292	S	S	*	.	H	α-helix	trans	-68	-45.9	178.4	169	0	0	0	0	111	K336 E337 I338 R343 K344	K336-V340 WeakPolarHBondContact O-CG2 3.47Å; K336-V340 PolarHBondContact O-N 3.48Å; E337-V340 PolarHBondContact O-N 2.76Å; E337-V340 VanDerWaalsContact O-N 3.16Å; I338-V340 VanDerWaalsContact C-N 3.29Å; I338-V340 PolarHBondContact O-N 3.45Å; V340-R343 PolarHBondContact O-N 3Å; V340-K344 PolarHBondContact O-N 2.91Å
341	E	98.8	Very high	98.5	Very high	98 Å²	98	65.9 Å²	65.9	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-48.1	177.7	-71.9	177.3	175.5	0	0	111.8	R66 E337 I338 R343 K344 E345	R66-E341 IonicContact CZ-OE2 2.81Å; R66-E341 IonicContact NH1-OE2 3.44Å; R66-E341 PolarHBondContact NH1-OE2 3.07Å; R66-E341 IonicContact NH2-OE2 3.86Å; R66-E341 PolarHBondContact NH2-OE2 3.07Å; E337-E341 WeakPolarHBondContact O-CG 3.47Å; E337-E341 PolarHBondContact O-N 2.73Å; I338-E341 PolarHBondContact O-N 3Å; E341-R343 VanDerWaalsContact C-N 3.31Å; E341-R343 PolarHBondContact O-N 3.18Å; E341-K344 WeakPolarHBondContact O-CB 3.28Å; E341-K344 PolarHBondContact O-N 3.49Å; E341-K344 VanDerWaalsContact O-N 3.15Å; E341-E345 PolarHBondContact O-N 3.19Å
342	V	98.9	Very high	98.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-45.1	176.4	168.6	0	0	0	0	110.2	R66 Q69 T70 R73 I338 K344 E345 I346	R66-V342 HydrophobicContact CG-CG2 3.97Å; Q69-V342 HydrophobicContact CG-CB 4.43Å; Q69-V342 HydrophobicContact CG-CG1 4.13Å; T70-V342 WeakPolarHBondContact OG1-CG2 3.44Å; R73-V342 HydrophobicContact CB-CG1 4.13Å; R73-V342 HydrophobicContact CG-CG1 3.94Å; I338-V342 HydrophobicContact CG2-CG2 4.12Å; I338-V342 WeakPolarHBondContact O-CB 3.43Å; I338-V342 VanDerWaalsContact O-CG2 3.27Å; I338-V342 WeakPolarHBondContact O-CG2 3.18Å; I338-V342 PolarHBondContact O-N 2.88Å; V342-K344 VanDerWaalsContact C-N 3.28Å; V342-K344 PolarHBondContact O-N 2.97Å; V342-E345 WeakPolarHBondContact O-CB 3.3Å; V342-E345 PolarHBondContact O-N 3.03Å; V342-I346 HydrophobicContact CG1-CG1 4.38Å; V342-I346 WeakPolarHBondContact O-CG1 3.35Å; V342-I346 PolarHBondContact O-N 3.37Å
343	R	98.8	Very high	98.6	Very high	151 Å²	151	64.7 Å²	64.7	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-58.5	-43.7	177.5	-177.7	177.9	-179.7	-177.2	-1	111.3	D339 V340 E341 I346 E347	D339-R343 VanDerWaalsContact O-CB 3.27Å; D339-R343 WeakPolarHBondContact O-CB 3.36Å; D339-R343 PolarHBondContact O-N 3.28Å; V340-R343 PolarHBondContact O-N 3Å; E341-R343 VanDerWaalsContact C-N 3.31Å; E341-R343 PolarHBondContact O-N 3.18Å; R343-I346 PolarHBondContact O-N 2.98Å; R343-E347 WeakPolarHBondContact O-CG 3.31Å; R343-E347 PolarHBondContact O-N 2.91Å
344	K	98.8	Very high	98.6	Very high	138 Å²	138	61.3 Å²	61.3	60%	0.6	29%	0.291	S	S	*	.	H	α-helix	trans	-61.7	-47	177.3	-175.9	179.8	175.8	-174.6	0	111.3	V340 E341 V342 I346 E347 D348	V340-K344 PolarHBondContact O-N 2.91Å; E341-K344 WeakPolarHBondContact O-CB 3.28Å; E341-K344 PolarHBondContact O-N 3.49Å; E341-K344 VanDerWaalsContact O-N 3.15Å; V342-K344 VanDerWaalsContact C-N 3.28Å; V342-K344 PolarHBondContact O-N 2.97Å; K344-I346 VanDerWaalsContact C-N 3.31Å; K344-I346 PolarHBondContact O-N 3.47Å; K344-E347 PolarHBondContact O-N 3.23Å; K344-D348 WeakPolarHBondContact O-CB 3.33Å; K344-D348 PolarHBondContact O-N 3.48Å
345	E	98.8	Very high	98.7	Very high	84 Å²	84	64.2 Å²	64.2	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-53.9	-46.2	175.6	-176.2	-171.1	175.6	0	0	112	E341 V342 D348 A349	E341-E345 PolarHBondContact O-N 3.19Å; V342-E345 WeakPolarHBondContact O-CB 3.3Å; V342-E345 PolarHBondContact O-N 3.03Å; E345-D348 PolarHBondContact O-N 3.35Å; E345-A349 WeakPolarHBondContact O-CB 3.28Å; E345-A349 PolarHBondContact O-N 3.35Å
346	I	98.9	Very high	98.7	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-41.5	178.9	-60.9	-45.6	0	0	0	112	T70 R73 M74 K77 V131 V342 R343 K344 A349 A350	T70-I346 HydrophobicContact CG2-CD1 4.08Å; R73-I346 HydrophobicContact CB-CD1 4.49Å; R73-I346 HydrophobicContact CB-CG1 3.6Å; M74-I346 HydrophobicContact CB-CD1 3.99Å; K77-I346 HydrophobicContact CB-CG2 3.58Å; K77-I346 HydrophobicContact CG-CG2 3.89Å; V131-I346 HydrophobicContact CB-CD1 4.29Å; V131-I346 HydrophobicContact CG1-CD1 3.44Å; V131-I346 VanDerWaalsContact CG1-CD1 3.44Å; V131-I346 HydrophobicContact CG2-CD1 3.9Å; V342-I346 HydrophobicContact CG1-CG1 4.38Å; V342-I346 WeakPolarHBondContact O-CG1 3.35Å; V342-I346 PolarHBondContact O-N 3.37Å; R343-I346 PolarHBondContact O-N 2.98Å; K344-I346 VanDerWaalsContact C-N 3.31Å; K344-I346 PolarHBondContact O-N 3.47Å; I346-A349 PolarHBondContact O-N 3.15Å; I346-A350 VanDerWaalsContact O-CB 3.32Å; I346-A350 WeakPolarHBondContact O-CB 3.44Å; I346-A350 PolarHBondContact O-N 3.42Å
347	E	98.8	Very high	98.7	Very high	73 Å²	73	62.1 Å²	62.1	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-42	177.8	-65.9	-56.4	152.5	0	0	111.5	K77 R343 K344 A349 A350 Q351	K77-E347 VanDerWaalsContact CE-OE1 3.27Å; K77-E347 WeakPolarHBondContact CE-OE1 3.44Å; K77-E347 IonicContact NZ-OE1 2.82Å; K77-E347 PolarHBondContact NZ-OE1 3.41Å; K77-E347 IonicContact NZ-OE2 3.95Å; K77-E347 PolarHBondContact NZ-OE2 2.95Å; R343-E347 WeakPolarHBondContact O-CG 3.31Å; R343-E347 PolarHBondContact O-N 2.91Å; K344-E347 PolarHBondContact O-N 3.23Å; E347-A349 VanDerWaalsContact C-N 3.35Å; E347-A349 PolarHBondContact O-N 2.99Å; E347-A350 PolarHBondContact O-N 3.35Å; E347-Q351 WeakPolarHBondContact O-CB 3.33Å; E347-Q351 PolarHBondContact O-N 2.95Å
348	D	98.8	Very high	98.7	Very high	98 Å²	98	63.4 Å²	63.4	52%	0.524	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-43.2	176.5	-70.5	-17	0	0	0	111	K344 E345 Q351 F352	K344-D348 WeakPolarHBondContact O-CB 3.33Å; K344-D348 PolarHBondContact O-N 3.48Å; E345-D348 PolarHBondContact O-N 3.35Å; D348-Q351 PolarHBondContact O-N 2.92Å; D348-F352 PolarHBondContact O-N 3.16Å
349	A	98.8	Very high	98.7	Very high	7 Å²	7	64.7 Å²	64.7	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-41.2	175.2	0	0	0	0	0	112.7	V131 K132 M135 E345 I346 E347 F352 A353	V131-A349 HydrophobicContact CB-CB 4.16Å; V131-A349 HydrophobicContact CG1-CB 3.53Å; K132-A349 HydrophobicContact CB-CB 4.41Å; M135-A349 HydrophobicContact CG-CB 4.44Å; E345-A349 WeakPolarHBondContact O-CB 3.28Å; E345-A349 PolarHBondContact O-N 3.35Å; I346-A349 PolarHBondContact O-N 3.15Å; E347-A349 VanDerWaalsContact C-N 3.35Å; E347-A349 PolarHBondContact O-N 2.99Å; A349-F352 PolarHBondContact O-N 3.4Å; A349-A353 WeakPolarHBondContact O-CB 3.32Å; A349-A353 PolarHBondContact O-N 3.29Å
350	A	98.8	Very high	98.6	Very high	5 Å²	5	65.3 Å²	65.3	4%	0.041	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-39.5	176.9	0	0	0	0	0	112.2	K77 M135 I346 E347 F352 A353 T354	K77-A350 HydrophobicContact CD-CB 3.76Å; K77-A350 HydrophobicContact CG-CB 3.79Å; M135-A350 HydrophobicContact CE-CB 4.34Å; I346-A350 VanDerWaalsContact O-CB 3.32Å; I346-A350 WeakPolarHBondContact O-CB 3.44Å; I346-A350 PolarHBondContact O-N 3.42Å; E347-A350 PolarHBondContact O-N 3.35Å; A350-F352 VanDerWaalsContact C-N 3.33Å; A350-A353 PolarHBondContact O-N 3.36Å; A350-T354 WeakPolarHBondContact O-CB 3.35Å; A350-T354 VanDerWaalsContact O-CG2 3.3Å; A350-T354 WeakPolarHBondContact O-CG2 3.45Å; A350-T354 PolarHBondContact O-N 2.74Å; A350-T354 PolarHBondContact O-OG1 2.94Å
351	Q	98.8	Very high	98.5	Very high	119 Å²	119	66.9 Å²	66.9	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-42.8	174.9	-175.4	59.2	49.8	0	0	110.8	E347 D348 T354 T355	E347-Q351 WeakPolarHBondContact O-CB 3.33Å; E347-Q351 PolarHBondContact O-N 2.95Å; D348-Q351 PolarHBondContact O-N 2.92Å; Q351-T354 PolarHBondContact O-N 2.74Å; Q351-T354 PolarHBondContact O-OG1 3.2Å; Q351-T354 VanDerWaalsContact O-OG1 3.04Å; Q351-T355 WeakPolarHBondContact O-CG2 3.45Å; Q351-T355 PolarHBondContact O-N 3.49Å; Q351-T355 PolarHBondContact O-OG1 2.96Å
352	F	98.8	Very high	98.3	Very high	54 Å²	54	67.9 Å²	67.9	24%	0.237	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-51.7	172.2	174.5	-98.7	0	0	0	111.7	K132 A136 D348 A349 A350 T354 T355 D356	K132-F352 HydrophobicContact CD-CD1 3.95Å; K132-F352 HydrophobicContact CD-CE1 4.18Å; K132-F352 HydrophobicContact CD-CG 4.16Å; K132-F352 VanDerWaalsContact CE-CZ 3.41Å; K132-F352 HydrophobicContact CG-CB 4.34Å; K132-F352 HydrophobicContact CG-CD1 3.33Å; K132-F352 HydrophobicContact CG-CE1 3.76Å; K132-F352 HydrophobicContact CG-CG 3.9Å; A136-F352 HydrophobicContact CB-CD1 4.28Å; A136-F352 HydrophobicContact CB-CE1 3.93Å; D348-F352 PolarHBondContact O-N 3.16Å; A349-F352 PolarHBondContact O-N 3.4Å; A350-F352 VanDerWaalsContact C-N 3.33Å; F352-T354 PolarHBondContact O-N 3.29Å; F352-T354 VanDerWaalsContact O-N 3.12Å; F352-T355 PolarHBondContact O-N 2.98Å; F352-T355 PolarHBondContact O-OG1 3.24Å; F352-D356 HydrophobicContact CD1-CB 4.49Å; F352-D356 HydrophobicContact CD2-CB 4.48Å; F352-D356 HydrophobicContact CE1-CB 4.08Å; F352-D356 HydrophobicContact CE2-CB 4.06Å; F352-D356 HydrophobicContact CZ-CB 3.84Å; F352-D356 WeakPolarHBondContact O-CB 3.45Å; F352-D356 PolarHBondContact O-N 2.97Å
353	A	98.6	Very high	98.2	Very high	0 Å²	0	71 Å²	71	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-23.8	-177	0	0	0	0	0	114	M135 A136 T139 R141 A349 A350	M135-A353 HydrophobicContact CB-CB 3.76Å; A136-A353 HydrophobicContact CB-CB 4.38Å; T139-A353 WeakPolarHBondContact CB-O 3.3Å; T139-A353 HydrophobicContact CG2-CB 4.09Å; T139-A353 PolarHBondContact OG1-O 3.16Å; R141-A353 WeakPolarHBondContact CG-O 3.09Å; A349-A353 WeakPolarHBondContact O-CB 3.32Å; A349-A353 PolarHBondContact O-N 3.29Å; A350-A353 PolarHBondContact O-N 3.36Å
354	T	98.3	Very high	98.2	Very high	40 Å²	40	68.2 Å²	68.2	25%	0.245	35%	0.353	C	S	.	.	H	α-helix	trans	-89.7	-22.2	177.7	51.4	0	0	0	0	113.3	L81 I86 R141 A350 Q351 F352	L81-T354 HydrophobicContact CD2-CG2 3.96Å; I86-T354 HydrophobicContact CD1-CG2 4.01Å; I86-T354 HydrophobicContact CG2-CG2 4.13Å; R141-T354 PolarHBondContact NH1-O 2.71Å; A350-T354 WeakPolarHBondContact O-CB 3.35Å; A350-T354 VanDerWaalsContact O-CG2 3.3Å; A350-T354 WeakPolarHBondContact O-CG2 3.45Å; A350-T354 PolarHBondContact O-N 2.74Å; A350-T354 PolarHBondContact O-OG1 2.94Å; Q351-T354 PolarHBondContact O-N 2.74Å; Q351-T354 PolarHBondContact O-OG1 3.2Å; Q351-T354 VanDerWaalsContact O-OG1 3.04Å; F352-T354 PolarHBondContact O-N 3.29Å; F352-T354 VanDerWaalsContact O-N 3.12Å
355	T	98.4	Very high	98.1	Very high	88 Å²	88	62.2 Å²	62.2	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-105.2	-21.4	-178.2	54.6	0	0	0	0	114.6	Q351 F352	Q351-T355 WeakPolarHBondContact O-CG2 3.45Å; Q351-T355 PolarHBondContact O-N 3.49Å; Q351-T355 PolarHBondContact O-OG1 2.96Å; F352-T355 PolarHBondContact O-N 2.98Å; F352-T355 PolarHBondContact O-OG1 3.24Å
356	D	98.7	Very high	98	Very high	14 Å²	14	59.3 Å²	59.3	8%	0.075	32%	0.316	C	S	.	.	S	Bend	trans	-63.7	132.2	174.6	-172.6	54.1	0	0	0	109.9	R141 R142 G143 F352	R141-D356 HydrophobicContact CB-CB 4.05Å; R141-D356 VanDerWaalsContact CB-OD2 3.31Å; R141-D356 WeakPolarHBondContact CB-OD2 3.47Å; R141-D356 WeakPolarHBondContact CD-O 3.41Å; R141-D356 HydrophobicContact CG-CB 4.4Å; R141-D356 VanDerWaalsContact CG-O 3.3Å; R141-D356 WeakPolarHBondContact CG-O 3.48Å; R141-D356 PolarHBondContact NH1-O 2.85Å; R142-D356 WeakPolarHBondContact CG-OD2 3.01Å; R142-D356 PolarHBondContact N-OD2 3Å; R142-D356 IonicContact NE-OD1 3.28Å; R142-D356 PolarHBondContact NE-OD1 3Å; G143-D356 WeakPolarHBondContact CA-OD2 3.41Å; G143-D356 PolarHBondContact N-OD2 2.93Å; F352-D356 HydrophobicContact CD1-CB 4.49Å; F352-D356 HydrophobicContact CD2-CB 4.48Å; F352-D356 HydrophobicContact CE1-CB 4.08Å; F352-D356 HydrophobicContact CE2-CB 4.06Å; F352-D356 HydrophobicContact CZ-CB 3.84Å; F352-D356 WeakPolarHBondContact O-CB 3.45Å; F352-D356 PolarHBondContact O-N 2.97Å
357	P	98.4	Very high	98	Very high	60 Å²	60	63.5 Å²	63.5	39%	0.39	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-69.9	159.9	-174.8	28.2	-36.7	0	0	0	112.7	R142	R142-P357 HydrophobicContact CG-CG 4.45Å; R142-P357 PolarHBondContact N-O 2.96Å; R142-P357 VanDerWaalsContact N-O 3.1Å; R142-P357 VanDerWaalsContact NE-CG 3.35Å
358	E	98.7	Very high	97.9	Very high	151 Å²	151	64 Å²	64	71%	0.706	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-60.3	154.7	169.7	-67.9	179.8	108.4	0	0	111.2
359	P	98.3	Very high	97.9	Very high	34 Å²	34	65.1 Å²	65.1	22%	0.221	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-57	139	171.1	-21.3	32.5	0	0	0	110.7	G140 R142 K147	G140-P359 VanDerWaalsContact O-CD 3.31Å; G140-P359 WeakPolarHBondContact O-CD 3.42Å; R142-P359 HydrophobicContact CB-CG 4.38Å; K147-P359 WeakPolarHBondContact O-CG 3.34Å
360	P	97.5	Very high	97.8	Very high	55 Å²	55	69.1 Å²	69.1	36%	0.357	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-68.4	146.6	179.9	34.1	-38.2	0	0	0	110.4	D362 E363	P360-D362 VanDerWaalsContact C-N 3.25Å; P360-D362 WeakPolarHBondContact CB-OD1 3.27Å; P360-D362 WeakPolarHBondContact CG-OD1 3.44Å; P360-D362 PolarHBondContact O-N 2.9Å; P360-E363 HydrophobicContact CG-CB 4.25Å; P360-E363 HydrophobicContact CG-CG 3.79Å; P360-E363 PolarHBondContact O-N 3.36Å; P360-E363 VanDerWaalsContact O-N 3.11Å
361	L	96.3	Very high	97.7	Very high	132 Å²	132	76.4 Å²	76.4	69%	0.691	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-65.1	-27.5	-171.1	-177.5	61.6	0	0	0	113.3	E363 L364	L361-E363 PolarHBondContact O-N 2.94Å; L361-L364 HydrophobicContact CD1-CB 4.45Å; L361-L364 HydrophobicContact CD1-CD1 3.71Å; L361-L364 WeakPolarHBondContact O-CB 3.39Å; L361-L364 PolarHBondContact O-N 3.06Å
362	D	95.1	Very high	97.6	Very high	119 Å²	119	73 Å²	73	64%	0.636	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-67.8	-21	176.7	62	-23.7	0	0	0	113.1	P360 L364	P360-D362 VanDerWaalsContact C-N 3.25Å; P360-D362 WeakPolarHBondContact CB-OD1 3.27Å; P360-D362 WeakPolarHBondContact CG-OD1 3.44Å; P360-D362 PolarHBondContact O-N 2.9Å; D362-L364 VanDerWaalsContact C-N 3.34Å
363	E	96.3	Very high	97.5	Very high	66 Å²	66	75.5 Å²	75.5	31%	0.308	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-87.5	2.1	173.7	-65.8	-172.6	-156.7	0	0	113.7	K149 P360 L361 C365 N366	K149-E363 PolarHBondContact NZ-O 3.33Å; P360-E363 HydrophobicContact CG-CB 4.25Å; P360-E363 HydrophobicContact CG-CG 3.79Å; P360-E363 PolarHBondContact O-N 3.36Å; P360-E363 VanDerWaalsContact O-N 3.11Å; L361-E363 PolarHBondContact O-N 2.94Å; E363-C365 VanDerWaalsContact C-N 3.27Å; E363-C365 PolarHBondContact O-N 3.44Å; E363-N366 WeakPolarHBondContact CG-ND2 3.49Å; E363-N366 WeakPolarHBondContact O-CB 3.36Å; E363-N366 PolarHBondContact O-N 2.81Å
364	L	97.5	Very high	97.5	Very high	93 Å²	93	79.4 Å²	79.4	49%	0.487	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-47.2	-174.8	-176.1	151.2	0	0	0	112.1	K149 L361 D362 L386	K149-L364 PolarHBondContact NZ-O 3.28Å; L361-L364 HydrophobicContact CD1-CB 4.45Å; L361-L364 HydrophobicContact CD1-CD1 3.71Å; L361-L364 WeakPolarHBondContact O-CB 3.39Å; L361-L364 PolarHBondContact O-N 3.06Å; D362-L364 VanDerWaalsContact C-N 3.34Å; L364-L386 HydrophobicContact CD2-CD1 4.05Å
365	C	97.3	Very high	97.4	Very high	12 Å²	12	80.1 Å²	80.1	8%	0.081	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	3.3	-176.9	-67.9	0	0	0	0	114.4	E363 I368 V377 L386 S388	E363-C365 VanDerWaalsContact C-N 3.27Å; E363-C365 PolarHBondContact O-N 3.44Å; C365-I368 HydrophobicContact CB-CD1 4.06Å; C365-I368 VanDerWaalsContact O-CD1 3.32Å; C365-I368 WeakPolarHBondContact O-CD1 3.43Å; C365-I368 VanDerWaalsContact O-CG1 3.31Å; C365-I368 WeakPolarHBondContact O-CG1 3.36Å; C365-V377 HydrophobicContact CB-CB 4.17Å; C365-V377 HydrophobicContact CB-CG2 4Å; C365-L386 HydrophobicContact CB-CB 4.34Å; C365-L386 WeakPolarHBondContact SG-CD1 3.27Å; C365-S388 WeakPolarHBondContact O-CB 3.3Å; C365-S388 PolarHBondContact O-OG 2.97Å
366	N	97.9	Very high	97.3	Very high	22 Å²	22	82.4 Å²	82.4	12%	0.118	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	150.2	177.4	-73	-11.7	0	0	0	111.8	E363 L389	E363-N366 WeakPolarHBondContact CG-ND2 3.49Å; E363-N366 WeakPolarHBondContact O-CB 3.36Å; E363-N366 PolarHBondContact O-N 2.81Å; N366-L389 WeakPolarHBondContact CA-O 3.48Å; N366-L389 PolarHBondContact OD1-N 2.94Å
367	H	97.7	Very high	97.3	Very high	92 Å²	92	83.5 Å²	83.5	43%	0.426	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	31.3	176	-44.4	-57	0	0	0	114.9	K147 L389 S390	K147-H367 PolarHBondContact NZ-NE2 2.88Å; K147-H367 VanDerWaalsContact NZ-NE2 3.14Å; H367-L389 PolarHBondContact N-O 2.73Å; H367-S390 VanDerWaalsContact ND1-C 3.28Å; H367-S390 PolarHBondContact ND1-O 3.14Å; H367-S390 PolarHBondContact ND1-OXT 3.12Å
368	I	98	Very high	97.3	Very high	82 Å²	82	89.2 Å²	89.2	42%	0.421	47%	0.471	S	S	.	.	S	Bend	trans	-71.2	-45.3	171.7	-69.9	168.6	0	0	0	111.1	C365 V377	C365-I368 HydrophobicContact CB-CD1 4.06Å; C365-I368 VanDerWaalsContact O-CD1 3.32Å; C365-I368 WeakPolarHBondContact O-CD1 3.43Å; C365-I368 VanDerWaalsContact O-CG1 3.31Å; C365-I368 WeakPolarHBondContact O-CG1 3.36Å; I368-V377 HydrophobicContact CD1-CG1 4.41Å; I368-V377 HydrophobicContact CD1-CG2 3.67Å
369	F	97.9	Very high	97.2	Very high	123 Å²	123	83.1 Å²	83.1	54%	0.539	45%	0.449	S	S	.	.	S	Bend	trans	-123	142.1	177.2	-61.4	-59.5	0	0	0	110.1	S372 S390	F369-S372 WeakPolarHBondContact CB-OG 3.22Å; F369-S390 VanDerWaalsContact O-CA 3.32Å; F369-S390 WeakPolarHBondContact O-CA 3.46Å; F369-S390 VanDerWaalsContact O-CB 3.31Å; F369-S390 WeakPolarHBondContact O-CB 3.4Å; F369-S390 PolarHBondContact O-OG 3.38Å
370	S	97.2	Very high	97.1	Very high	91 Å²	91	88.3 Å²	88.3	64%	0.636	48%	0.48	S	S	*	.	S	Bend	trans	-85.8	147.2	172.6	-175.3	0	0	0	0	110.7	S372	S370-S372 PolarHBondContact O-N 3.48Å; S370-S372 VanDerWaalsContact O-N 3.09Å; S370-S372 PolarHBondContact O-OG 3.33Å; S370-S372 VanDerWaalsContact O-OG 3.06Å
371	N	96.4	Very high	97	Very high	157 Å²	157	88.5 Å²	88.5	84%	0.84	48%	0.479	S	S	*	.	S	Bend	trans	49	38.1	174.8	-61.9	-28.5	0	0	0	114.6	S390	N371-S390 PolarHBondContact N-OG 3.26Å
372	S	96.1	Very high	97	Very high	47 Å²	47	85.9 Å²	85.9	33%	0.329	47%	0.469	S	S	.	.			trans	-117	148	-177.6	-64.4	0	0	0	0	110.6	F369 S370 S390	F369-S372 WeakPolarHBondContact CB-OG 3.22Å; S370-S372 PolarHBondContact O-N 3.48Å; S370-S372 VanDerWaalsContact O-N 3.09Å; S370-S372 PolarHBondContact O-OG 3.33Å; S370-S372 VanDerWaalsContact O-OG 3.06Å; S372-S390 PolarHBondContact N-OG 2.7Å; S372-S390 PolarHBondContact O-OG 2.82Å; S372-S390 VanDerWaalsContact O-OG 3.09Å
373	P	97.4	Very high	97.1	Very high	107 Å²	107	90.6 Å²	90.6	70%	0.695	48%	0.478	S	S	*	.			trans	-57.6	155.5	168.4	-22.2	33.4	0	0	0	111.2	V375	P373-V375 PolarHBondContact O-N 2.88Å
374	P	97.3	Very high	97	Very high	82 Å²	82	88.9 Å²	88.9	53%	0.532	48%	0.475	S	S	.	.			trans	-53.5	136.6	175.9	-27.2	35.4	0	0	0	112.7	S388 L389	P374-S388 WeakPolarHBondContact CA-O 3.43Å; P374-L389 HydrophobicContact CB-CD2 3.82Å; P374-L389 HydrophobicContact CG-CD2 3.64Å
375	V	97.2	Very high	96.9	Very high	56 Å²	56	90.9 Å²	90.9	34%	0.339	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.3	177.3	-60	0	0	0	0	112	P373 V377 S388	P373-V375 PolarHBondContact O-N 2.88Å; V375-V377 HydrophobicContact CG2-CG2 4.35Å; V375-S388 PolarHBondContact N-O 2.93Å; V375-S388 VanDerWaalsContact N-O 3.1Å; V375-S388 PolarHBondContact O-N 2.86Å
376	E	97.1	Very high	96.9	Very high	135 Å²	135	93 Å²	93	63%	0.631	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.2	168.6	-69	-169.9	163.9	0	0	110.2	K385 L386	E376-K385 IonicContact OE1-NZ 3.77Å; E376-K385 PolarHBondContact OE1-NZ 3.5Å; E376-K385 WeakPolarHBondContact OE2-CD 3.16Å; E376-K385 WeakPolarHBondContact OE2-CE 3.45Å; E376-K385 IonicContact OE2-NZ 2.71Å; E376-K385 PolarHBondContact OE2-NZ 3.33Å; E376-L386 CarbonylContact C-O 3.43Å; E376-L386 WeakPolarHBondContact CA-O 3.31Å
377	V	97.8	Very high	96.8	Very high	38 Å²	38	97.8 Å²	97.8	23%	0.23	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.8	176.9	-176	0	0	0	0	108.9	C365 I368 V375 G379 L386	C365-V377 HydrophobicContact CB-CB 4.17Å; C365-V377 HydrophobicContact CB-CG2 4Å; I368-V377 HydrophobicContact CD1-CG1 4.41Å; I368-V377 HydrophobicContact CD1-CG2 3.67Å; V375-V377 HydrophobicContact CG2-CG2 4.35Å; V377-G379 PolarHBondContact O-N 3.06Å; V377-L386 HydrophobicContact CB-CB 4.41Å; V377-L386 PolarHBondContact N-O 3.01Å; V377-L386 PolarHBondContact O-N 3.12Å
378	R	97.6	Very high	96.8	Very high	179 Å²	179	93.6 Å²	93.6	68%	0.675	49%	0.491	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.6	176.1	-179.3	178.6	169.7	178.6	-4.4	110.1
379	G	96.4	Very high	96.8	Very high	23 Å²	23	93 Å²	93	24%	0.237	49%	0.488	C	S	.	.			trans	-83	-149	171.7	0	0	0	0	0	112.9	V377 N381 A384	V377-G379 PolarHBondContact O-N 3.06Å; G379-N381 PolarHBondContact O-N 3.02Å; G379-N381 VanDerWaalsContact O-N 3.14Å; G379-A384 PolarHBondContact N-O 2.87Å
380	T	97.1	Very high	96.6	Very high	143 Å²	143	90.4 Å²	90.4	88%	0.877	49%	0.485	S	S	*	.	S	Bend	trans	-67.8	-13.4	-175.9	55.2	0	0	0	0	114.4
381	N	96.5	Very high	96.5	Very high	60 Å²	60	90.4 Å²	90.4	32%	0.321	48%	0.478	S	S	.	.	S	Bend	trans	-145.6	166.1	176	66.9	65.5	0	0	0	110.5	G379 W383 A384	G379-N381 PolarHBondContact O-N 3.02Å; G379-N381 VanDerWaalsContact O-N 3.14Å; N381-W383 HydrophobicContact CB-CE3 4.28Å; N381-W383 PolarHBondContact O-N 3.39Å; N381-W383 VanDerWaalsContact O-N 3.15Å; N381-W383 WeakPolarHBondContact OD1-CA 3.36Å; N381-W383 WeakPolarHBondContact OD1-CB 3.5Å; N381-W383 PolarHBondContact OD1-N 3.44Å; N381-A384 PolarHBondContact O-N 3.22Å; N381-A384 PolarHBondContact OD1-N 3.04Å
382	P	95.8	Very high	96.5	Very high	76 Å²	76	86.8 Å²	86.8	49%	0.494	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.2	-177.4	-23.4	33.4	0	0	0	115.6
383	W	96.4	Very high	96.6	Very high	219 Å²	219	89.1 Å²	89.1	83%	0.83	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-14.7	-178.2	-53.6	-79	0	0	0	113.1	N381 K385	N381-W383 HydrophobicContact CB-CE3 4.28Å; N381-W383 PolarHBondContact O-N 3.39Å; N381-W383 VanDerWaalsContact O-N 3.15Å; N381-W383 WeakPolarHBondContact OD1-CA 3.36Å; N381-W383 WeakPolarHBondContact OD1-CB 3.5Å; N381-W383 PolarHBondContact OD1-N 3.44Å; W383-K385 PolarHBondContact O-N 2.9Å
384	A	95.3	Very high	96.5	Very high	29 Å²	29	88 Å²	88	24%	0.24	45%	0.452	C	S	.	.			trans	-78.6	104.5	173.1	0	0	0	0	0	109.3	G379 N381	G379-A384 PolarHBondContact N-O 2.87Å; N381-A384 PolarHBondContact O-N 3.22Å; N381-A384 PolarHBondContact OD1-N 3.04Å
385	K	94.8	Very high	96.5	Very high	136 Å²	136	88.4 Å²	88.4	59%	0.591	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	117.4	177.3	-66.1	-180	166.7	-145.8	0	110	E376 W383	E376-K385 IonicContact OE1-NZ 3.77Å; E376-K385 PolarHBondContact OE1-NZ 3.5Å; E376-K385 WeakPolarHBondContact OE2-CD 3.16Å; E376-K385 WeakPolarHBondContact OE2-CE 3.45Å; E376-K385 IonicContact OE2-NZ 2.71Å; E376-K385 PolarHBondContact OE2-NZ 3.33Å; W383-K385 PolarHBondContact O-N 2.9Å
386	L	96.3	Very high	96.4	Very high	55 Å²	55	90.5 Å²	90.5	29%	0.288	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.7	175.1	-58.2	174.5	0	0	0	109.2	L364 C365 E376 V377	L364-L386 HydrophobicContact CD2-CD1 4.05Å; C365-L386 HydrophobicContact CB-CB 4.34Å; C365-L386 WeakPolarHBondContact SG-CD1 3.27Å; E376-L386 CarbonylContact C-O 3.43Å; E376-L386 WeakPolarHBondContact CA-O 3.31Å; V377-L386 HydrophobicContact CB-CB 4.41Å; V377-L386 PolarHBondContact N-O 3.01Å; V377-L386 PolarHBondContact O-N 3.12Å
387	K	96.4	Very high	96.4	Very high	124 Å²	124	87.4 Å²	87.4	54%	0.539	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.9	176.1	-165.7	179.4	-174.6	-172.3	0	109.5	L389	K387-L389 HydrophobicContact CD-CD2 4.22Å; K387-L389 HydrophobicContact CG-CD2 4.44Å
388	S	97.8	Very high	96.3	Very high	4 Å²	4	91.2 Å²	91.2	3%	0.028	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.8	169.1	-175.9	0	0	0	0	109.3	C365 P374 V375	C365-S388 WeakPolarHBondContact O-CB 3.3Å; C365-S388 PolarHBondContact O-OG 2.97Å; P374-S388 WeakPolarHBondContact CA-O 3.43Å; V375-S388 PolarHBondContact N-O 2.93Å; V375-S388 VanDerWaalsContact N-O 3.1Å; V375-S388 PolarHBondContact O-N 2.86Å
389	L	97.6	Very high	96.2	Very high	69 Å²	69	83.8 Å²	83.8	36%	0.361	44%	0.44	S	S	.	.			trans	-103.7	143.7	169	-59	177.5	0	0	0	109.4	N366 H367 P374 K387	N366-L389 WeakPolarHBondContact CA-O 3.48Å; N366-L389 PolarHBondContact OD1-N 2.94Å; H367-L389 PolarHBondContact N-O 2.73Å; P374-L389 HydrophobicContact CB-CD2 3.82Å; P374-L389 HydrophobicContact CG-CD2 3.64Å; K387-L389 HydrophobicContact CD-CD2 4.22Å; K387-L389 HydrophobicContact CG-CD2 4.44Å
390	S	93.8	Very high	96.1	Very high	68 Å²	68	89.4 Å²	89.4	48%	0.476	46%	0.459	S	S	.	.			trans	-61.2	0	174.4	-78.1	0	0	0	0	113.9	H367 F369 N371 S372	H367-S390 VanDerWaalsContact ND1-C 3.28Å; H367-S390 PolarHBondContact ND1-O 3.14Å; H367-S390 PolarHBondContact ND1-OXT 3.12Å; F369-S390 VanDerWaalsContact O-CA 3.32Å; F369-S390 WeakPolarHBondContact O-CA 3.46Å; F369-S390 VanDerWaalsContact O-CB 3.31Å; F369-S390 WeakPolarHBondContact O-CB 3.4Å; F369-S390 PolarHBondContact O-OG 3.38Å; N371-S390 PolarHBondContact N-OG 3.26Å; S372-S390 PolarHBondContact N-OG 2.7Å; S372-S390 PolarHBondContact O-OG 2.82Å; S372-S390 VanDerWaalsContact O-OG 3.09Å

Retrieved 390 of 390 residues in 2058.4 ms (Link to these results)

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