A0A060YMD9_ONCMY Loading...

Medium-chain specific acyl-CoA dehydrogenase, mitochondrial

Medium-chain specific acyl-CoA dehydrogenase is one of the acyl-CoA dehydrogenases that catalyze the first step of mitochondrial fatty acid beta-oxidation, an aerobic process breaking down fatty acids into acetyl-CoA and allowing the production of energy from fats. The first step of fatty acid beta-oxidation consists in the removal of one hydrogen from C-2 and C-3 of the straight-chain fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Electron transfer flavoprotein (ETF) is the electron acceptor that transfers electrons to the main mitochondrial respiratory chain via ETF-ubiquinone oxidoreductase (ETF dehydrogenase). Among the different mitochondrial acyl-CoA dehydrogenases, medium-chain specific acyl-CoA dehydrogenase acts specifically on acyl-CoAs with saturated 6 to 12 carbons long primary chains.

AlphaFold DB , UniProt , Accession A0A060YMD9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene acadm, Length 422 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	39.8	Very low	229 Å²	229	128.8 Å²	128.8	100%	1.128	68%	0.679	S	S	*	*				0	-18.5	0	-84.3	176.2	176	0	0	115
2	L	38.1	Very low	39.8	Very low	158 Å²	158	130 Å²	130	83%	0.827	68%	0.678	S	S	*	*			trans	-88.5	-23.1	179	-82.5	126.8	0	0	0	115.4
3	F	33.5	Very low	39.8	Very low	179 Å²	179	124.8 Å²	124.8	79%	0.785	66%	0.66	S	S	*	*	H	α-helix	trans	-73.9	-29.4	-178.6	-110.5	-98	0	0	0	114.4
4	N	37.6	Very low	39.9	Very low	127 Å²	127	122 Å²	122	68%	0.679	65%	0.649	S	S	*	*	H	α-helix	trans	-77.7	-17.9	179.7	-94.4	-3.7	0	0	0	114.4
5	K	39.1	Very low	40.2	Very low	174 Å²	174	121.1 Å²	121.1	76%	0.757	64%	0.644	S	S	*	*	H	α-helix	trans	-79	-34.2	176.4	-93.9	-178.5	172.1	-178.4	0	112.3	G9	K5-G9 PolarHBondContact O-N 3.49Å; K5-G9 VanDerWaalsContact O-N 3.17Å
6	A	37.8	Very low	40.1	Very low	75 Å²	75	125.6 Å²	125.6	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-71.1	-38.9	179.7	0	0	0	0	0	112.6	G9 G10	A6-G9 PolarHBondContact O-N 3.18Å; A6-G10 PolarHBondContact O-N 3.36Å
7	L	40.7	Very low	40	Very low	115 Å²	115	124.6 Å²	124.6	60%	0.602	64%	0.644	S	S	*	*	H	α-helix	trans	-67.5	-35.8	175	-90.4	128.5	0	0	0	112.9	G10 V11	L7-G10 PolarHBondContact O-N 2.89Å; L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 3.26Å
8	R	42.7	Very low	40	Very low	192 Å²	192	125.1 Å²	125.1	73%	0.725	64%	0.643	S	S	*	*	H	α-helix	trans	-69.2	-37.3	175.3	-78.5	-176.9	175.3	-169.4	-2.6	113	Q12	R8-Q12 PolarHBondContact O-N 3.46Å; R8-Q12 VanDerWaalsContact O-N 3.15Å
9	G	39.2	Very low	40.2	Very low	40 Å²	40	121.8 Å²	121.8	41%	0.412	63%	0.632	S	S	.	*	H	α-helix	trans	-66.1	-36.2	174.8	0	0	0	0	0	113.2	K5 A6 S13	K5-G9 PolarHBondContact O-N 3.49Å; K5-G9 VanDerWaalsContact O-N 3.17Å; A6-G9 PolarHBondContact O-N 3.18Å; G9-S13 WeakPolarHBondContact O-CB 3.4Å; G9-S13 PolarHBondContact O-N 3.08Å
10	G	37.7	Very low	40.2	Very low	37 Å²	37	119.6 Å²	119.6	38%	0.381	63%	0.625	S	S	.	*	H	α-helix	trans	-66.7	-42.9	176.4	0	0	0	0	0	113.3	A6 L7 S13 V14	A6-G10 PolarHBondContact O-N 3.36Å; L7-G10 PolarHBondContact O-N 2.89Å; G10-S13 PolarHBondContact O-N 3.2Å; G10-V14 WeakPolarHBondContact O-CG2 3.41Å; G10-V14 PolarHBondContact O-N 2.84Å; G10-V14 VanDerWaalsContact O-N 3.08Å
11	V	44.1	Very low	40	Very low	91 Å²	91	119.3 Å²	119.3	55%	0.552	62%	0.624	S	S	*	*	H	α-helix	trans	-69.3	-40.8	179.3	176.4	0	0	0	0	111.6	L7 S13 V14 L15	L7-V11 WeakPolarHBondContact O-CG2 3.33Å; L7-V11 PolarHBondContact O-N 3.26Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 3.42Å; V11-V14 PolarHBondContact O-N 3.07Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 PolarHBondContact O-N 3.21Å; V11-L15 VanDerWaalsContact O-N 3.09Å
12	Q	39.7	Very low	39.7	Very low	143 Å²	143	111.7 Å²	111.7	67%	0.668	60%	0.597	S	S	*	*	H	α-helix	trans	-64.8	-34.4	173.7	-80.4	-176.4	-29.3	0	0	113	R8 R16	R8-Q12 PolarHBondContact O-N 3.46Å; R8-Q12 VanDerWaalsContact O-N 3.15Å; Q12-R16 PolarHBondContact O-N 3.05Å
13	S	39.6	Very low	39.8	Very low	63 Å²	63	107.6 Å²	107.6	44%	0.441	59%	0.586	S	S	.	*	H	α-helix	trans	-71	-36.5	176.8	-168	0	0	0	0	112.4	G9 G10 V11 R16 L17	G9-S13 WeakPolarHBondContact O-CB 3.4Å; G9-S13 PolarHBondContact O-N 3.08Å; G10-S13 PolarHBondContact O-N 3.2Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 3.42Å; S13-R16 PolarHBondContact O-N 3.25Å; S13-L17 WeakPolarHBondContact O-CD1 3.25Å; S13-L17 PolarHBondContact O-N 2.89Å
14	V	42.2	Very low	39.9	Very low	85 Å²	85	102.1 Å²	102.1	52%	0.515	57%	0.574	S	S	.	*	H	α-helix	trans	-70.6	-38	177.7	173.9	0	0	0	0	111	G10 V11 L17 Q18	G10-V14 WeakPolarHBondContact O-CG2 3.41Å; G10-V14 PolarHBondContact O-N 2.84Å; G10-V14 VanDerWaalsContact O-N 3.08Å; V11-V14 PolarHBondContact O-N 3.07Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-Q18 PolarHBondContact O-N 3.39Å
15	L	44	Very low	39.8	Very low	108 Å²	108	101.3 Å²	101.3	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-62.9	-39.1	171.2	-85.3	152.8	0	0	0	112.2	V11 Q18 S19	V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 PolarHBondContact O-N 3.21Å; V11-L15 VanDerWaalsContact O-N 3.09Å; L15-Q18 PolarHBondContact O-N 3.08Å; L15-S19 PolarHBondContact O-N 3.17Å; L15-S19 PolarHBondContact O-OG 3.4Å
16	R	39	Very low	39.8	Very low	194 Å²	194	96.4 Å²	96.4	73%	0.732	57%	0.566	S	S	*	*	H	α-helix	trans	-66.9	-37.3	175.2	-119.3	178.2	-176.3	-174.4	1	113.1	Q12 S13 S19 T20	Q12-R16 PolarHBondContact O-N 3.05Å; S13-R16 PolarHBondContact O-N 3.25Å; R16-S19 WeakPolarHBondContact CA-OG 3.42Å; R16-S19 PolarHBondContact O-N 3.24Å; R16-S19 PolarHBondContact O-OG 3.23Å; R16-T20 WeakPolarHBondContact O-CG2 3.19Å; R16-T20 PolarHBondContact O-N 3.17Å; R16-T20 PolarHBondContact O-OG1 3.35Å
17	L	37.6	Very low	39.8	Very low	108 Å²	108	96.8 Å²	96.8	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-72.1	-33.9	177.6	-96	136	0	0	0	112.5	S13 V14 T20 N21	S13-L17 WeakPolarHBondContact O-CD1 3.25Å; S13-L17 PolarHBondContact O-N 2.89Å; V14-L17 PolarHBondContact O-N 2.85Å; L17-T20 WeakPolarHBondContact CA-OG1 3.45Å; L17-T20 PolarHBondContact O-OG1 3Å; L17-N21 PolarHBondContact O-N 3.13Å
18	Q	39.5	Very low	39.7	Very low	133 Å²	133	97.4 Å²	97.4	62%	0.621	58%	0.577	S	S	*	*	H	α-helix	trans	-71.1	-37	171.4	-74.4	-179	-25.9	0	0	111.8	V14 L15 N21 A22	V14-Q18 PolarHBondContact O-N 3.39Å; L15-Q18 PolarHBondContact O-N 3.08Å; Q18-N21 PolarHBondContact O-N 3.2Å; Q18-A22 PolarHBondContact O-N 3.5Å; Q18-A22 VanDerWaalsContact O-N 3.13Å
19	S	44.6	Very low	39.5	Very low	63 Å²	63	92.4 Å²	92.4	44%	0.441	57%	0.571	S	S	.	*	H	α-helix	trans	-68.5	-32.5	174.6	64	0	0	0	0	113.6	L15 R16 A22 A23	L15-S19 PolarHBondContact O-N 3.17Å; L15-S19 PolarHBondContact O-OG 3.4Å; R16-S19 WeakPolarHBondContact CA-OG 3.42Å; R16-S19 PolarHBondContact O-N 3.24Å; R16-S19 PolarHBondContact O-OG 3.23Å; S19-A22 PolarHBondContact O-N 3.4Å; S19-A23 WeakPolarHBondContact O-CB 3.42Å; S19-A23 PolarHBondContact O-N 3.17Å
20	T	40.7	Very low	39.4	Very low	78 Å²	78	95.4 Å²	95.4	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-73.1	-30.2	176.8	47.3	0	0	0	0	113	R16 L17 A24	R16-T20 WeakPolarHBondContact O-CG2 3.19Å; R16-T20 PolarHBondContact O-N 3.17Å; R16-T20 PolarHBondContact O-OG1 3.35Å; L17-T20 WeakPolarHBondContact CA-OG1 3.45Å; L17-T20 PolarHBondContact O-OG1 3Å; T20-A24 WeakPolarHBondContact O-CB 3.16Å; T20-A24 PolarHBondContact O-N 3.1Å
21	N	35.7	Very low	39.5	Very low	114 Å²	114	102.9 Å²	102.9	61%	0.61	61%	0.611	S	S	*	*	H	α-helix	trans	-75.8	-33.2	173.3	-85.3	-5.7	0	0	0	112.3	L17 Q18 A24 V25	L17-N21 PolarHBondContact O-N 3.13Å; Q18-N21 PolarHBondContact O-N 3.2Å; N21-A24 PolarHBondContact O-N 3.37Å; N21-V25 WeakPolarHBondContact O-CG2 3.45Å; N21-V25 PolarHBondContact O-N 2.99Å; N21-V25 VanDerWaalsContact O-N 3.17Å
22	A	40.6	Very low	39.4	Very low	69 Å²	69	105.7 Å²	105.7	57%	0.57	62%	0.623	S	S	*	*	H	α-helix	trans	-64.7	-41	169.8	0	0	0	0	0	111.7	Q18 S19 A24 V25 A26	Q18-A22 PolarHBondContact O-N 3.5Å; Q18-A22 VanDerWaalsContact O-N 3.13Å; S19-A22 PolarHBondContact O-N 3.4Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 2.86Å; A22-V25 PolarHBondContact O-N 2.88Å; A22-A26 PolarHBondContact O-N 3.07Å
23	A	40.1	Very low	39.6	Very low	71 Å²	71	102.9 Å²	102.9	59%	0.587	62%	0.624	S	S	*	*	H	α-helix	trans	-67.1	-29.7	175.9	0	0	0	0	0	113.6	S19	S19-A23 WeakPolarHBondContact O-CB 3.42Å; S19-A23 PolarHBondContact O-N 3.17Å
24	A	34.6	Very low	40.2	Very low	64 Å²	64	105.6 Å²	105.6	53%	0.529	64%	0.641	S	S	.	*	H	α-helix	trans	-82	-25.3	178.8	0	0	0	0	0	113.8	T20 N21 A22	T20-A24 WeakPolarHBondContact O-CB 3.16Å; T20-A24 PolarHBondContact O-N 3.1Å; N21-A24 PolarHBondContact O-N 3.37Å; A22-A24 VanDerWaalsContact C-N 3.33Å; A22-A24 PolarHBondContact O-N 2.86Å
25	V	37.3	Very low	40.9	Very low	110 Å²	110	105 Å²	105	67%	0.667	64%	0.64	S	S	*	*	H	α-helix	trans	-84.1	-19.4	175.9	179.7	0	0	0	0	112	N21 A22 A27	N21-V25 WeakPolarHBondContact O-CG2 3.45Å; N21-V25 PolarHBondContact O-N 2.99Å; N21-V25 VanDerWaalsContact O-N 3.17Å; A22-V25 PolarHBondContact O-N 2.88Å; V25-A27 PolarHBondContact O-N 3.07Å
26	A	38.6	Very low	42.2	Very low	72 Å²	72	107.5 Å²	107.5	60%	0.595	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-69	-8	173.1	0	0	0	0	0	114.4	A22	A22-A26 PolarHBondContact O-N 3.07Å
27	A	37.9	Very low	44.5	Very low	82 Å²	82	100.8 Å²	100.8	68%	0.678	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-84.7	-2.3	-176.6	0	0	0	0	0	114.7	V25	V25-A27 PolarHBondContact O-N 3.07Å
28	T	38.3	Very low	47.2	Very low	129 Å²	129	104 Å²	104	79%	0.791	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-142.8	35.5	-175.7	41.1	0	0	0	0	115.1
29	S	38	Very low	49.8	Very low	86 Å²	86	101.4 Å²	101.4	60%	0.601	66%	0.657	S	S	*	*	S	Bend	trans	-114.8	106.1	163.2	58.6	0	0	0	0	110.5	Q31	S29-Q31 PolarHBondContact O-N 3.15Å
30	S	36.9	Very low	52.3	Low	103 Å²	103	105.4 Å²	105.4	72%	0.72	67%	0.666	S	S	*	*			trans	-2.3	112.5	168	54.2	0	0	0	0	117	N32	S30-N32 PolarHBondContact O-N 3.05Å
31	Q	41.2	Very low	54.9	Low	195 Å²	195	108.3 Å²	108.3	91%	0.911	68%	0.675	S	S	*	*			trans	-54	100.3	158.9	-67.6	-177.6	-11.3	0	0	110.1	S29 A33	S29-Q31 PolarHBondContact O-N 3.15Å; Q31-A33 PolarHBondContact O-N 3.37Å
32	N	41.9	Very low	57.8	Low	150 Å²	150	105 Å²	105	80%	0.802	66%	0.656	S	S	*	*			trans	-78.1	112.3	154.2	-83.9	-20	0	0	0	106.5	S30	S30-N32 PolarHBondContact O-N 3.05Å
33	A	44.4	Very low	60.5	Low	83 Å²	83	105.3 Å²	105.3	69%	0.686	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-49.4	142.3	171.7	0	0	0	0	0	110	Q31 S35	Q31-A33 PolarHBondContact O-N 3.37Å; A33-S35 PolarHBondContact O-N 3.45Å; A33-S35 VanDerWaalsContact O-N 3.08Å
34	P	52	Low	63.3	Low	121 Å²	121	107.1 Å²	107.1	79%	0.786	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-57.1	122.1	174.5	22.6	-30.5	0	0	0	108.4	T36	P34-T36 PolarHBondContact O-N 3.09Å
35	S	55.9	Low	66.3	Low	73 Å²	73	109.1 Å²	109.1	51%	0.51	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-53.7	126.6	173.3	62.2	0	0	0	0	108.2	A33 G37	A33-S35 PolarHBondContact O-N 3.45Å; A33-S35 VanDerWaalsContact O-N 3.08Å; S35-G37 PolarHBondContact O-N 3.36Å
36	T	71.1	Confident	69.2	Low	160 Å²	160	105.2 Å²	105.2	98%	0.982	62%	0.623	S	S	*	*	S	Bend	trans	-71.1	16.1	-179.9	49.2	0	0	0	0	113.6	P34	P34-T36 PolarHBondContact O-N 3.09Å
37	G	88.2	Confident	72	Confident	53 Å²	53	104.7 Å²	104.7	55%	0.546	61%	0.608	S	S	.	*	S	Bend	trans	-140.5	-166.7	-175.7	0	0	0	0	0	112.9	S35 C39	S35-G37 PolarHBondContact O-N 3.36Å; G37-C39 PolarHBondContact O-N 3Å
38	F	93.6	Very high	74.9	Confident	174 Å²	174	106.9 Å²	106.9	76%	0.763	60%	0.604	S	S	*	*			trans	-62.5	131.1	178.4	-83	-102.7	0	0	0	111.2	F40	F38-F40 HydrophobicContact CB-CE2 4.43Å; F38-F40 HydrophobicContact CD1-CZ 4.45Å
39	C	94.7	Very high	77.8	Confident	79 Å²	79	102 Å²	102	53%	0.534	57%	0.572	S	S	.	*			trans	-128.9	128.1	174.9	-173.7	0	0	0	0	109.3	G37 E41	G37-C39 PolarHBondContact O-N 3Å; C39-E41 PolarHBondContact SG-N 3Å; C39-E41 VanDerWaalsContact SG-N 3.38Å
40	F	96.4	Very high	80.6	Confident	147 Å²	147	99.6 Å²	99.6	65%	0.645	55%	0.551	S	S	*	*			trans	-107.2	3.6	173	-65.5	-87.7	0	0	0	111.8	F38 M336	F38-F40 HydrophobicContact CB-CE2 4.43Å; F38-F40 HydrophobicContact CD1-CZ 4.45Å; F40-M336 HydrophobicContact CE1-SD 4.42Å
41	E	96.4	Very high	83.6	Confident	140 Å²	140	100.7 Å²	100.7	65%	0.654	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-82	129.3	178.5	-174.8	150.6	-163.3	0	0	110.4	C39 K47	C39-E41 PolarHBondContact SG-N 3Å; C39-E41 VanDerWaalsContact SG-N 3.38Å; E41-K47 IonicContact OE1-NZ 2.94Å; E41-K47 PolarHBondContact OE1-NZ 2.68Å
42	M	96.3	Very high	86.3	Confident	44 Å²	44	94.4 Å²	94.4	22%	0.217	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-70.4	147.3	172.4	-69.9	-179.3	-70.1	0	0	110.3	Q46 K47 L108	M42-Q46 HydrophobicContact CB-CB 3.9Å; M42-Q46 HydrophobicContact CG-CB 4.37Å; M42-K47 HydrophobicContact CB-CG 3.98Å; M42-K47 HydrophobicContact CE-CG 4.28Å; M42-K47 VanDerWaalsContact O-CE 3.31Å; M42-K47 WeakPolarHBondContact O-CE 3.22Å; M42-L108 HydrophobicContact SD-CD1 4.06Å; M42-L108 HydrophobicContact SD-CD2 3.62Å
43	T	97.6	Very high	89	Confident	75 Å²	75	87.2 Å²	87.2	46%	0.46	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-65	160.6	168	69.5	0	0	0	0	110.4	Q45 Q46 K47	T43-Q45 VanDerWaalsContact C-N 3.27Å; T43-Q45 PolarHBondContact O-N 3.47Å; T43-Q46 WeakPolarHBondContact O-CB 3.13Å; T43-Q46 PolarHBondContact O-N 2.97Å; T43-Q46 VanDerWaalsContact O-N 3.08Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.37Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.4Å; T43-Q46 PolarHBondContact OG1-N 3.34Å; T43-K47 WeakPolarHBondContact O-CG 3.4Å; T43-K47 PolarHBondContact O-N 3.32Å
44	D	97.8	Very high	91.6	Very high	109 Å²	109	87.2 Å²	87.2	58%	0.583	46%	0.461	S	S	*	.	H	α-helix	trans	-61.4	-38.7	178.3	-63.5	-28.9	0	0	0	111.7	Q46 K47 E48	D44-Q46 VanDerWaalsContact C-N 3.33Å; D44-Q46 PolarHBondContact O-N 3.34Å; D44-K47 WeakPolarHBondContact O-CB 3.34Å; D44-K47 PolarHBondContact O-N 3Å; D44-K47 VanDerWaalsContact O-N 3.17Å; D44-K47 IonicContact OD1-NZ 3.23Å; D44-E48 WeakPolarHBondContact O-CG 3.49Å; D44-E48 PolarHBondContact O-N 3.26Å
45	Q	97	Very high	93.9	Very high	107 Å²	107	87.1 Å²	87.1	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-60.8	-40	173.3	-171.8	-179	36.7	0	0	112.5	T43 E48 F49	T43-Q45 VanDerWaalsContact C-N 3.27Å; T43-Q45 PolarHBondContact O-N 3.47Å; Q45-E48 PolarHBondContact O-N 3.07Å; Q45-F49 HydrophobicContact CG-CD2 4.13Å; Q45-F49 HydrophobicContact CG-CE2 3.57Å; Q45-F49 HydrophobicContact CG-CZ 4Å; Q45-F49 VanDerWaalsContact O-CD2 3.3Å; Q45-F49 WeakPolarHBondContact O-CD2 3.28Å; Q45-F49 PolarHBondContact O-N 3.04Å
46	Q	98.4	Very high	95.9	Very high	27 Å²	27	83.9 Å²	83.9	13%	0.126	43%	0.425	C	S	.	.	H	α-helix	trans	-66.2	-38.6	175.4	-78.4	170.5	-15	0	0	112.2	M42 T43 D44 F49 Q50 F104 D105 L108	M42-Q46 HydrophobicContact CB-CB 3.9Å; M42-Q46 HydrophobicContact CG-CB 4.37Å; T43-Q46 WeakPolarHBondContact O-CB 3.13Å; T43-Q46 PolarHBondContact O-N 2.97Å; T43-Q46 VanDerWaalsContact O-N 3.08Å; T43-Q46 WeakPolarHBondContact OG1-CB 3.37Å; T43-Q46 VanDerWaalsContact OG1-CG 3.29Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.4Å; T43-Q46 PolarHBondContact OG1-N 3.34Å; D44-Q46 VanDerWaalsContact C-N 3.33Å; D44-Q46 PolarHBondContact O-N 3.34Å; Q46-F49 PolarHBondContact O-N 3.34Å; Q46-Q50 WeakPolarHBondContact O-CB 3.48Å; Q46-Q50 PolarHBondContact O-N 3.25Å; Q46-F104 VanDerWaalsContact NE2-CD1 3.32Å; Q46-D105 WeakPolarHBondContact CG-OD1 3.29Å; Q46-D105 PolarHBondContact NE2-OD1 3.14Å; Q46-L108 HydrophobicContact CB-CD1 3.77Å; Q46-L108 HydrophobicContact CG-CD1 3.82Å
47	K	98.5	Very high	97.2	Very high	62 Å²	62	76.3 Å²	76.3	27%	0.27	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-44.1	173.8	-67.1	169.6	-176	165.4	0	110.5	E41 M42 T43 D44 Q50 E51	E41-K47 IonicContact OE1-NZ 2.94Å; E41-K47 PolarHBondContact OE1-NZ 2.68Å; M42-K47 HydrophobicContact CB-CG 3.98Å; M42-K47 HydrophobicContact CE-CG 4.28Å; M42-K47 VanDerWaalsContact O-CE 3.31Å; M42-K47 WeakPolarHBondContact O-CE 3.22Å; T43-K47 WeakPolarHBondContact O-CG 3.4Å; T43-K47 PolarHBondContact O-N 3.32Å; D44-K47 WeakPolarHBondContact O-CB 3.34Å; D44-K47 PolarHBondContact O-N 3Å; D44-K47 VanDerWaalsContact O-N 3.17Å; D44-K47 IonicContact OD1-NZ 3.23Å; K47-Q50 PolarHBondContact O-N 3.17Å; K47-E51 WeakPolarHBondContact O-CB 3.39Å; K47-E51 WeakPolarHBondContact O-CG 3.41Å; K47-E51 PolarHBondContact O-N 3.45Å
48	E	98.4	Very high	97.7	Very high	128 Å²	128	79.2 Å²	79.2	60%	0.598	37%	0.373	S	S	*	.	H	α-helix	trans	-60.1	-46.9	175.9	-71.5	175.3	-178.2	0	0	112.5	D44 Q45 Q50 E51 L52	D44-E48 WeakPolarHBondContact O-CG 3.49Å; D44-E48 PolarHBondContact O-N 3.26Å; Q45-E48 PolarHBondContact O-N 3.07Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; E48-Q50 PolarHBondContact O-N 3.5Å; E48-E51 PolarHBondContact O-N 2.93Å; E48-L52 WeakPolarHBondContact O-CB 3.32Å; E48-L52 PolarHBondContact O-N 3.24Å
49	F	98.3	Very high	98	Very high	27 Å²	27	76.8 Å²	76.8	12%	0.118	36%	0.364	C	S	.	.	H	α-helix	trans	-62.2	-42.4	175.8	-69.8	-41.8	0	0	0	112.3	Q45 Q46 A53 M99 L101 I109	Q45-F49 HydrophobicContact CG-CD2 4.13Å; Q45-F49 HydrophobicContact CG-CE2 3.57Å; Q45-F49 HydrophobicContact CG-CZ 4Å; Q45-F49 VanDerWaalsContact O-CD2 3.3Å; Q45-F49 WeakPolarHBondContact O-CD2 3.28Å; Q45-F49 PolarHBondContact O-N 3.04Å; Q46-F49 PolarHBondContact O-N 3.34Å; F49-A53 VanDerWaalsContact O-CB 3.31Å; F49-A53 WeakPolarHBondContact O-CB 3.44Å; F49-A53 PolarHBondContact O-N 3.38Å; F49-M99 HydrophobicContact CE1-CE 3.44Å; F49-M99 VanDerWaalsContact CE1-CE 3.44Å; F49-M99 HydrophobicContact CZ-CE 3.43Å; F49-M99 VanDerWaalsContact CZ-CE 3.43Å; F49-L101 HydrophobicContact CD2-CD1 4.32Å; F49-L101 HydrophobicContact CE2-CD1 3.84Å; F49-L101 HydrophobicContact CE2-CD2 3.8Å; F49-L101 HydrophobicContact CZ-CD1 4Å; F49-L101 HydrophobicContact CZ-CD2 4.03Å; F49-I109 HydrophobicContact CB-CD1 4.37Å; F49-I109 HydrophobicContact CB-CG1 4.23Å
50	Q	98.6	Very high	98.2	Very high	34 Å²	34	76 Å²	76	16%	0.159	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-47.2	177	-176.1	-176.3	78.7	0	0	111.2	Q46 K47 E48 L52 A53 R54 E112	Q46-Q50 WeakPolarHBondContact O-CB 3.48Å; Q46-Q50 PolarHBondContact O-N 3.25Å; K47-Q50 PolarHBondContact O-N 3.17Å; E48-Q50 VanDerWaalsContact C-N 3.35Å; E48-Q50 PolarHBondContact O-N 3.5Å; Q50-L52 PolarHBondContact O-N 2.87Å; Q50-A53 PolarHBondContact O-N 3.09Å; Q50-R54 WeakPolarHBondContact O-CB 3.33Å; Q50-R54 PolarHBondContact O-N 3.02Å; Q50-E112 HydrophobicContact CG-CG 3.93Å; Q50-E112 WeakPolarHBondContact CG-OE1 3.39Å
51	E	98.8	Very high	98.3	Very high	126 Å²	126	69 Å²	69	59%	0.589	32%	0.322	S	S	*	.	H	α-helix	trans	-62.6	-43.3	179.7	-75.8	178.6	-173.6	0	0	112	K47 E48 R54 K55	K47-E51 WeakPolarHBondContact O-CB 3.39Å; K47-E51 WeakPolarHBondContact O-CG 3.41Å; K47-E51 PolarHBondContact O-N 3.45Å; E48-E51 PolarHBondContact O-N 2.93Å; E51-R54 PolarHBondContact O-N 3.46Å; E51-K55 WeakPolarHBondContact O-CB 3.18Å; E51-K55 PolarHBondContact O-N 2.8Å
52	L	98.8	Very high	98.4	Very high	63 Å²	63	64.2 Å²	64.2	33%	0.33	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-49.8	175.7	179.1	60.8	0	0	0	111.4	E48 Q50 R54 K55 F56 L85 L87	E48-L52 WeakPolarHBondContact O-CB 3.32Å; E48-L52 PolarHBondContact O-N 3.24Å; Q50-L52 PolarHBondContact O-N 2.87Å; L52-R54 VanDerWaalsContact C-N 3.35Å; L52-R54 PolarHBondContact O-N 2.73Å; L52-K55 PolarHBondContact O-N 3.38Å; L52-F56 WeakPolarHBondContact O-CB 3.45Å; L52-F56 PolarHBondContact O-N 3.16Å; L52-L85 HydrophobicContact CD1-CD2 4.37Å; L52-L87 HydrophobicContact CD2-CD2 4.12Å; L52-L87 HydrophobicContact CG-CD2 4.24Å
53	A	98.9	Very high	98.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-40.3	179.1	0	0	0	0	0	111.7	F49 Q50 S57 L87 I109 E112	F49-A53 VanDerWaalsContact O-CB 3.31Å; F49-A53 WeakPolarHBondContact O-CB 3.44Å; F49-A53 PolarHBondContact O-N 3.38Å; Q50-A53 PolarHBondContact O-N 3.09Å; A53-S57 VanDerWaalsContact O-CB 3.25Å; A53-S57 WeakPolarHBondContact O-CB 3.44Å; A53-S57 PolarHBondContact O-N 3.45Å; A53-S57 PolarHBondContact O-OG 3.27Å; A53-L87 HydrophobicContact CB-CD1 4.36Å; A53-L87 HydrophobicContact CB-CD2 4.08Å; A53-I109 HydrophobicContact CB-CG2 4.23Å; A53-E112 HydrophobicContact CB-CB 3.76Å; A53-E112 HydrophobicContact CB-CG 4.26Å
54	R	98.9	Very high	98.6	Very high	83 Å²	83	65.3 Å²	65.3	31%	0.313	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-48.1	176.3	-176.3	175.5	-64.6	150.4	4.6	111.6	Q50 E51 L52 S57 R58 E112	Q50-R54 WeakPolarHBondContact O-CB 3.33Å; Q50-R54 PolarHBondContact O-N 3.02Å; E51-R54 PolarHBondContact O-N 3.46Å; L52-R54 VanDerWaalsContact C-N 3.35Å; L52-R54 PolarHBondContact O-N 2.73Å; R54-S57 PolarHBondContact O-N 3.11Å; R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 WeakPolarHBondContact O-CG 3.38Å; R54-R58 PolarHBondContact O-N 2.81Å; R54-E112 HydrophobicContact CB-CG 4.3Å; R54-E112 WeakPolarHBondContact CB-OE2 3.48Å; R54-E112 VanDerWaalsContact CG-OE2 3.3Å; R54-E112 WeakPolarHBondContact CG-OE2 3.03Å; R54-E112 IonicContact CZ-OE1 3.72Å; R54-E112 IonicContact NE-OE1 3.53Å; R54-E112 PolarHBondContact NE-OE1 3.48Å; R54-E112 IonicContact NE-OE2 3.46Å; R54-E112 PolarHBondContact NE-OE2 3.02Å; R54-E112 VanDerWaalsContact NE-OE2 3.15Å; R54-E112 IonicContact NH2-OE1 2.79Å; R54-E112 PolarHBondContact NH2-OE1 3.31Å
55	K	98.9	Very high	98.6	Very high	119 Å²	119	60.5 Å²	60.5	52%	0.517	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-52.3	178.8	-176.2	179.5	178.4	-179.9	0	110.5	E51 L52 S57 R58 E59	E51-K55 WeakPolarHBondContact O-CB 3.18Å; E51-K55 PolarHBondContact O-N 2.8Å; L52-K55 PolarHBondContact O-N 3.38Å; K55-S57 VanDerWaalsContact C-N 3.29Å; K55-S57 PolarHBondContact O-N 3.49Å; K55-R58 PolarHBondContact O-N 3.03Å; K55-E59 VanDerWaalsContact CE-CD 3.43Å; K55-E59 WeakPolarHBondContact CE-OE1 3.39Å; K55-E59 WeakPolarHBondContact CE-OE2 3.48Å; K55-E59 HydrophobicContact CG-CG 4.27Å; K55-E59 WeakPolarHBondContact CG-OE1 3.27Å; K55-E59 WeakPolarHBondContact O-CB 3.42Å; K55-E59 WeakPolarHBondContact O-CG 3.49Å; K55-E59 PolarHBondContact O-N 3.39Å
56	F	98.9	Very high	98.7	Very high	5 Å²	5	57.5 Å²	57.5	2%	0.022	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-44.4	176.6	173.7	-115.8	0	0	0	112	L52 E60 I61 I78 R81 A82 L85 L87 L113	L52-F56 WeakPolarHBondContact O-CB 3.45Å; L52-F56 PolarHBondContact O-N 3.16Å; F56-E60 HydrophobicContact CD2-CB 3.73Å; F56-E60 HydrophobicContact CD2-CG 3.8Å; F56-E60 WeakPolarHBondContact CD2-OE1 3.48Å; F56-E60 HydrophobicContact CE2-CB 3.66Å; F56-E60 HydrophobicContact CE2-CG 4.05Å; F56-E60 WeakPolarHBondContact O-CA 3.35Å; F56-E60 WeakPolarHBondContact O-CB 3.38Å; F56-E60 PolarHBondContact O-N 3.4Å; F56-I61 HydrophobicContact CD1-CD1 4.02Å; F56-I61 HydrophobicContact CD1-CG1 4.32Å; F56-I61 HydrophobicContact CE1-CD1 3.68Å; F56-I61 HydrophobicContact CE1-CG1 3.94Å; F56-I61 HydrophobicContact CZ-CD1 4.39Å; F56-I61 HydrophobicContact CZ-CG1 4.2Å; F56-I61 PolarHBondContact O-N 3.23Å; F56-I78 HydrophobicContact CE1-CG2 4.4Å; F56-I78 HydrophobicContact CZ-CG2 3.75Å; F56-R81 HydrophobicContact CD2-CG 4.19Å; F56-R81 HydrophobicContact CE2-CB 3.93Å; F56-R81 HydrophobicContact CE2-CG 3.52Å; F56-R81 HydrophobicContact CZ-CB 4.28Å; F56-R81 HydrophobicContact CZ-CG 4.31Å; F56-A82 HydrophobicContact CE1-CB 3.73Å; F56-A82 HydrophobicContact CZ-CB 3.92Å; F56-L85 HydrophobicContact CB-CD1 4.02Å; F56-L85 HydrophobicContact CD2-CD1 3.57Å; F56-L85 HydrophobicContact CE2-CD1 4.2Å; F56-L85 HydrophobicContact CG-CD1 3.82Å; F56-L87 HydrophobicContact CB-CD1 3.99Å; F56-L87 HydrophobicContact CD1-CD1 3.64Å; F56-L87 HydrophobicContact CE1-CD1 4.41Å; F56-L87 HydrophobicContact CG-CD1 3.99Å; F56-L113 HydrophobicContact CD1-CD2 3.62Å; F56-L113 HydrophobicContact CE1-CD2 3.81Å
57	S	98.8	Very high	98.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.295	C	S	.	.	I	π-helix	trans	-63.3	-47.2	-179.9	-59.5	0	0	0	0	112.1	A53 R54 K55 I61 V62 E112 L113	A53-S57 VanDerWaalsContact O-CB 3.25Å; A53-S57 WeakPolarHBondContact O-CB 3.44Å; A53-S57 PolarHBondContact O-N 3.45Å; A53-S57 PolarHBondContact O-OG 3.27Å; R54-S57 PolarHBondContact O-N 3.11Å; K55-S57 VanDerWaalsContact C-N 3.29Å; K55-S57 PolarHBondContact O-N 3.49Å; S57-I61 WeakPolarHBondContact O-CB 3.48Å; S57-I61 PolarHBondContact O-N 3.44Å; S57-V62 WeakPolarHBondContact O-CG2 3.42Å; S57-V62 PolarHBondContact O-N 2.82Å; S57-E112 VanDerWaalsContact CB-O 3.26Å; S57-E112 WeakPolarHBondContact CB-O 3.32Å; S57-E112 VanDerWaalsContact OG-C 3.29Å; S57-E112 PolarHBondContact OG-O 3.19Å; S57-L113 WeakPolarHBondContact OG-CA 3.4Å; S57-L113 PolarHBondContact OG-N 2.94Å
58	R	98.6	Very high	98.7	Very high	115 Å²	115	57 Å²	57	43%	0.434	29%	0.287	S	S	.	.	I	π-helix	trans	-72	-38.4	-178.3	-68.7	-177.5	-177.8	-86.7	-2.5	113	R54 K55 Y115 D298	R54-R58 WeakPolarHBondContact O-CB 3.44Å; R54-R58 WeakPolarHBondContact O-CG 3.38Å; R54-R58 PolarHBondContact O-N 2.81Å; K55-R58 PolarHBondContact O-N 3.03Å; R58-Y115 PolarHBondContact NH1-OH 3.01Å; R58-Y115 PolarHBondContact NH2-OH 3.37Å; R58-D298 IonicContact NH2-OD2 3.17Å
59	E	98.8	Very high	98.8	Very high	122 Å²	122	51.1 Å²	51.1	57%	0.57	26%	0.26	S	S	*	.	I	π-helix	trans	-88.2	-32.2	-174.6	-65.8	-179.5	-177.1	0	0	113.3	K55	K55-E59 VanDerWaalsContact CE-CD 3.43Å; K55-E59 WeakPolarHBondContact CE-OE1 3.39Å; K55-E59 WeakPolarHBondContact CE-OE2 3.48Å; K55-E59 HydrophobicContact CG-CG 4.27Å; K55-E59 WeakPolarHBondContact CG-OE1 3.27Å; K55-E59 WeakPolarHBondContact O-CB 3.42Å; K55-E59 WeakPolarHBondContact O-CG 3.49Å; K55-E59 PolarHBondContact O-N 3.39Å
60	E	98.8	Very high	98.8	Very high	63 Å²	63	56.8 Å²	56.8	29%	0.294	28%	0.281	S	S	.	.	I	π-helix	trans	-115.8	-33.8	-171.6	-54.1	-159.9	-132.6	0	0	113.6	F56 V64 I78 R81	F56-E60 HydrophobicContact CD2-CB 3.73Å; F56-E60 HydrophobicContact CD2-CG 3.8Å; F56-E60 WeakPolarHBondContact CD2-OE1 3.48Å; F56-E60 HydrophobicContact CE2-CB 3.66Å; F56-E60 HydrophobicContact CE2-CG 4.05Å; F56-E60 WeakPolarHBondContact O-CA 3.35Å; F56-E60 WeakPolarHBondContact O-CB 3.38Å; F56-E60 PolarHBondContact O-N 3.4Å; E60-V64 VanDerWaalsContact O-CG2 3.29Å; E60-V64 WeakPolarHBondContact O-CG2 3.27Å; E60-I78 HydrophobicContact CB-CD1 4.47Å; E60-I78 WeakPolarHBondContact O-CD1 3.35Å; E60-R81 IonicContact OE1-NE 3.68Å; E60-R81 PolarHBondContact OE1-NE 3.08Å; E60-R81 WeakPolarHBondContact OE2-CG 3.33Å
61	I	98.9	Very high	98.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-88.3	-53.9	-178	-53.7	-178.1	0	0	0	111.8	F56 S57 P63 V64 A65 I78 L113 C117 V120	F56-I61 HydrophobicContact CD1-CD1 4.02Å; F56-I61 HydrophobicContact CD1-CG1 4.32Å; F56-I61 HydrophobicContact CE1-CD1 3.68Å; F56-I61 HydrophobicContact CE1-CG1 3.94Å; F56-I61 HydrophobicContact CZ-CD1 4.39Å; F56-I61 HydrophobicContact CZ-CG1 4.2Å; F56-I61 PolarHBondContact O-N 3.23Å; S57-I61 WeakPolarHBondContact O-CB 3.48Å; S57-I61 PolarHBondContact O-N 3.44Å; I61-P63 VanDerWaalsContact C-CD 3.48Å; I61-V64 WeakPolarHBondContact O-CG2 3.32Å; I61-V64 PolarHBondContact O-N 3.29Å; I61-A65 WeakPolarHBondContact O-CB 3.43Å; I61-A65 PolarHBondContact O-N 3.1Å; I61-I78 HydrophobicContact CD1-CG2 4.42Å; I61-I78 HydrophobicContact CG1-CG2 3.86Å; I61-L113 HydrophobicContact CD1-CD2 3.8Å; I61-C117 HydrophobicContact CG2-CB 3.53Å; I61-V120 HydrophobicContact CD1-CG1 4.38Å; I61-V120 HydrophobicContact CG2-CB 4.41Å; I61-V120 HydrophobicContact CG2-CG2 4.22Å
62	V	98.8	Very high	98.8	Very high	40 Å²	40	53.4 Å²	53.4	24%	0.242	28%	0.277	C	S	.	.	H	α-helix	trans	-53	-47.1	-175	171.1	0	0	0	0	112.7	S57 V64 A65	S57-V62 WeakPolarHBondContact O-CG2 3.42Å; S57-V62 PolarHBondContact O-N 2.82Å; V62-V64 PolarHBondContact O-N 3.36Å; V62-A65 PolarHBondContact O-N 3.08Å
63	P	98.8	Very high	98.8	Very high	90 Å²	90	56.2 Å²	56.2	58%	0.584	29%	0.289	S	S	*	.	H	α-helix	trans	-63.7	-26.1	-174.4	-25.2	37.2	0	0	0	114.2	I61	I61-P63 VanDerWaalsContact C-CD 3.48Å
64	V	98.8	Very high	98.8	Very high	52 Å²	52	57.3 Å²	57.3	32%	0.315	29%	0.293	S	S	.	.	H	α-helix	trans	-108.3	-8.9	-174.9	-60.1	0	0	0	0	113.4	E60 I61 V62 A66 A67 Y68 I78	E60-V64 VanDerWaalsContact O-CG2 3.29Å; E60-V64 WeakPolarHBondContact O-CG2 3.27Å; I61-V64 WeakPolarHBondContact O-CG2 3.32Å; I61-V64 PolarHBondContact O-N 3.29Å; V62-V64 PolarHBondContact O-N 3.36Å; V64-A66 VanDerWaalsContact C-N 3.32Å; V64-A66 PolarHBondContact O-N 2.98Å; V64-A67 PolarHBondContact O-N 3.49Å; V64-A67 VanDerWaalsContact O-N 3.07Å; V64-Y68 HydrophobicContact CB-CD2 4.01Å; V64-Y68 HydrophobicContact CB-CE2 4Å; V64-Y68 HydrophobicContact CG2-CD2 3.8Å; V64-Y68 HydrophobicContact CG2-CE2 3.7Å; V64-Y68 WeakPolarHBondContact O-CD2 3.48Å; V64-Y68 PolarHBondContact O-N 3.35Å; V64-Y68 VanDerWaalsContact O-N 3.09Å; V64-I78 HydrophobicContact CG2-CD1 4.1Å; V64-I78 HydrophobicContact CG2-CG1 4.3Å
65	A	98.8	Very high	98.8	Very high	7 Å²	7	53.4 Å²	53.4	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-41.2	-173.9	0	0	0	0	0	113.6	I61 V62 D69 C117	I61-A65 WeakPolarHBondContact O-CB 3.43Å; I61-A65 PolarHBondContact O-N 3.1Å; V62-A65 PolarHBondContact O-N 3.08Å; A65-D69 WeakPolarHBondContact O-CB 3.25Å; A65-D69 PolarHBondContact O-N 2.75Å; A65-C117 HydrophobicContact CB-CB 3.79Å
66	A	98.7	Very high	98.8	Very high	44 Å²	44	52.2 Å²	52.2	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-68.3	-36.3	178.9	0	0	0	0	0	112.3	V64 D69 R70	V64-A66 VanDerWaalsContact C-N 3.32Å; V64-A66 PolarHBondContact O-N 2.98Å; A66-D69 PolarHBondContact O-N 3.04Å; A66-R70 WeakPolarHBondContact O-CG 3.45Å; A66-R70 PolarHBondContact O-N 3.48Å
67	A	98.8	Very high	98.8	Very high	50 Å²	50	55.8 Å²	55.8	41%	0.413	30%	0.297	S	S	.	.	H	α-helix	trans	-68.2	-43.1	177.9	0	0	0	0	0	111.6	V64 R70 S71	V64-A67 PolarHBondContact O-N 3.49Å; V64-A67 VanDerWaalsContact O-N 3.07Å; A67-R70 PolarHBondContact O-N 2.91Å; A67-S71 WeakPolarHBondContact O-CB 3.44Å; A67-S71 PolarHBondContact O-N 3.48Å; A67-S71 PolarHBondContact O-OG 3.2Å
68	Y	98.9	Very high	98.8	Very high	28 Å²	28	56.5 Å²	56.5	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-38.3	174.7	-83.3	-62.8	0	0	0	112.8	V64 S71 G72 E73 P75 I78 C245	V64-Y68 HydrophobicContact CB-CD2 4.01Å; V64-Y68 HydrophobicContact CB-CE2 4Å; V64-Y68 HydrophobicContact CG2-CD2 3.8Å; V64-Y68 HydrophobicContact CG2-CE2 3.7Å; V64-Y68 WeakPolarHBondContact O-CD2 3.48Å; V64-Y68 PolarHBondContact O-N 3.35Å; V64-Y68 VanDerWaalsContact O-N 3.09Å; Y68-S71 PolarHBondContact O-OG 3.49Å; Y68-G72 WeakPolarHBondContact O-CA 3.32Å; Y68-G72 PolarHBondContact O-N 3.35Å; Y68-E73 HydrophobicContact CD1-CB 4.05Å; Y68-E73 WeakPolarHBondContact CD1-O 3.4Å; Y68-E73 HydrophobicContact CE1-CB 4.21Å; Y68-E73 HydrophobicContact CE1-CG 4.21Å; Y68-P75 HydrophobicContact CD1-CB 3.94Å; Y68-P75 HydrophobicContact CD2-CB 4.22Å; Y68-P75 HydrophobicContact CE1-CB 3.79Å; Y68-P75 HydrophobicContact CE2-CB 4.07Å; Y68-P75 HydrophobicContact CG-CB 4.16Å; Y68-I78 HydrophobicContact CE2-CG1 4.06Å; Y68-C245 HydrophobicContact CG-CB 4.5Å
69	D	98.9	Very high	98.8	Very high	6 Å²	6	51 Å²	51	3%	0.032	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-43.8	175.5	174.3	64.8	0	0	0	112	A65 A66 R244 K390 R393	A65-D69 WeakPolarHBondContact O-CB 3.25Å; A65-D69 PolarHBondContact O-N 2.75Å; A66-D69 PolarHBondContact O-N 3.04Å; D69-R244 VanDerWaalsContact CG-NH2 3.26Å; D69-R244 PolarHBondContact O-NE 3.31Å; D69-R244 PolarHBondContact O-NH2 3.49Å; D69-R244 IonicContact OD1-CZ 3.73Å; D69-R244 IonicContact OD1-NE 3.18Å; D69-R244 PolarHBondContact OD1-NE 2.76Å; D69-R244 IonicContact OD1-NH2 3.4Å; D69-R244 IonicContact OD2-CZ 2.8Å; D69-R244 IonicContact OD2-NE 2.75Å; D69-R244 IonicContact OD2-NH2 3.07Å; D69-R244 PolarHBondContact OD2-NH2 2.72Å; D69-K390 HydrophobicContact CB-CD 3.73Å; D69-K390 VanDerWaalsContact CB-CE 3.47Å; D69-K390 HydrophobicContact CB-CG 4.42Å; D69-R393 IonicContact OD1-CZ 2.87Å; D69-R393 IonicContact OD1-NH1 3.15Å; D69-R393 PolarHBondContact OD1-NH1 2.85Å; D69-R393 IonicContact OD1-NH2 2.93Å; D69-R393 IonicContact OD2-CZ 2.94Å; D69-R393 IonicContact OD2-NH1 3.48Å; D69-R393 PolarHBondContact OD2-NH1 2.73Å; D69-R393 IonicContact OD2-NH2 3.34Å; D69-R393 PolarHBondContact OD2-NH2 3Å
70	R	98.8	Very high	98.8	Very high	145 Å²	145	49.5 Å²	49.5	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-65.8	-44.6	177.6	-75.1	-173	-67.7	-104.3	3.7	113.3	A66 A67	A66-R70 WeakPolarHBondContact O-CG 3.45Å; A66-R70 PolarHBondContact O-N 3.48Å; A67-R70 PolarHBondContact O-N 2.91Å
71	S	98.7	Very high	98.8	Very high	75 Å²	75	50.9 Å²	50.9	52%	0.524	27%	0.274	S	S	.	.	H	α-helix	trans	-77.5	-28.5	-178	59.6	0	0	0	0	113	A67 Y68 E73	A67-S71 WeakPolarHBondContact O-CB 3.44Å; A67-S71 PolarHBondContact O-N 3.48Å; A67-S71 PolarHBondContact O-OG 3.2Å; Y68-S71 PolarHBondContact O-OG 3.49Å; S71-E73 PolarHBondContact O-N 2.86Å; S71-E73 WeakPolarHBondContact OG-CB 3.45Å; S71-E73 PolarHBondContact OG-N 2.87Å
72	G	98.7	Very high	98.8	Very high	15 Å²	15	50.9 Å²	50.9	16%	0.155	27%	0.274	C	S	.	.			trans	68.4	10.8	-169.2	0	0	0	0	0	113.7	Y68 K237	Y68-G72 WeakPolarHBondContact O-CA 3.32Å; Y68-G72 PolarHBondContact O-N 3.35Å; G72-K237 WeakPolarHBondContact O-CE 3.43Å; G72-K237 PolarHBondContact O-NZ 3.12Å
73	E	98.8	Very high	98.8	Very high	121 Å²	121	52 Å²	52	57%	0.565	27%	0.274	S	S	*	.			trans	-62.7	142.9	178.5	-175.2	176.3	-175.5	0	0	110.8	Y68 S71 C245	Y68-E73 HydrophobicContact CD1-CB 4.05Å; Y68-E73 WeakPolarHBondContact CD1-O 3.4Å; Y68-E73 HydrophobicContact CE1-CB 4.21Å; Y68-E73 HydrophobicContact CE1-CG 4.21Å; S71-E73 PolarHBondContact O-N 2.86Å; S71-E73 WeakPolarHBondContact OG-CB 3.45Å; S71-E73 PolarHBondContact OG-N 2.87Å; E73-C245 WeakPolarHBondContact O-CA 3.38Å; E73-C245 VanDerWaalsContact O-CB 3.27Å; E73-C245 WeakPolarHBondContact O-CB 3.38Å
74	Y	98.9	Very high	98.8	Very high	24 Å²	24	52.2 Å²	52.2	9%	0.094	27%	0.267	C	S	.	.			trans	-75.1	123.7	177.3	-168.9	-110.2	0	0	0	110	F76 I79 A123 M156 N195 K198 D247	Y74-F76 HydrophobicContact CD1-CB 4.24Å; Y74-F76 PolarHBondContact O-N 3.02Å; Y74-I79 HydrophobicContact CD1-CD1 4.28Å; Y74-I79 HydrophobicContact CE1-CD1 3.56Å; Y74-I79 HydrophobicContact CE2-CD1 4.17Å; Y74-A123 HydrophobicContact CE2-CB 3.85Å; Y74-M156 WeakPolarHBondContact OH-CE 3.22Å; Y74-N195 PolarHBondContact OH-OD1 3.42Å; Y74-K198 HydrophobicContact CD1-CD 3.82Å; Y74-K198 HydrophobicContact CD1-CG 3.92Å; Y74-K198 HydrophobicContact CD2-CG 4.13Å; Y74-K198 HydrophobicContact CE1-CB 4.06Å; Y74-K198 HydrophobicContact CE1-CD 4Å; Y74-K198 HydrophobicContact CE1-CG 3.71Å; Y74-K198 HydrophobicContact CE2-CG 3.93Å; Y74-K198 HydrophobicContact CG-CD 4.15Å; Y74-K198 HydrophobicContact CG-CG 4.1Å; Y74-D247 HydrophobicContact CD2-CB 3.74Å; Y74-D247 HydrophobicContact CE2-CB 3.84Å
75	P	98.6	Very high	98.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.			trans	-81.6	50.9	-166.6	34.7	-37.5	0	0	0	112.9	Y68 P77 I78 I79 V120 C245	Y68-P75 HydrophobicContact CD1-CB 3.94Å; Y68-P75 HydrophobicContact CD2-CB 4.22Å; Y68-P75 HydrophobicContact CE1-CB 3.79Å; Y68-P75 HydrophobicContact CE2-CB 4.07Å; Y68-P75 HydrophobicContact CG-CB 4.16Å; P75-P77 VanDerWaalsContact C-CD 3.48Å; P75-I78 HydrophobicContact CB-CB 4.4Å; P75-I78 PolarHBondContact O-N 3.04Å; P75-I78 VanDerWaalsContact O-N 3.1Å; P75-I79 HydrophobicContact CG-CD1 4.07Å; P75-I79 HydrophobicContact CG-CG1 4.39Å; P75-I79 WeakPolarHBondContact O-CG1 3.21Å; P75-I79 PolarHBondContact O-N 3.21Å; P75-V120 HydrophobicContact CB-CG2 4.01Å; P75-V120 HydrophobicContact CG-CB 4.39Å; P75-V120 HydrophobicContact CG-CG1 4.45Å; P75-V120 HydrophobicContact CG-CG2 3.86Å; P75-C245 WeakPolarHBondContact CD-O 3.37Å
76	F	98.6	Very high	98.7	Very high	94 Å²	94	52.5 Å²	52.5	41%	0.412	27%	0.271	S	S	.	.	H	α-helix	trans	-56.9	-39.1	-175.5	-172.4	-105.2	0	0	0	114.4	Y74 I78 I79 K80 P154	Y74-F76 HydrophobicContact CD1-CB 4.24Å; Y74-F76 PolarHBondContact O-N 3.02Å; F76-I78 VanDerWaalsContact C-N 3.3Å; F76-I78 PolarHBondContact O-N 3.01Å; F76-I79 PolarHBondContact O-N 3.19Å; F76-K80 HydrophobicContact CE1-CB 4.44Å; F76-K80 HydrophobicContact CE1-CD 4.44Å; F76-K80 WeakPolarHBondContact O-CB 3.37Å; F76-K80 PolarHBondContact O-N 2.91Å; F76-P154 HydrophobicContact CZ-CG 4.2Å
77	P	98.8	Very high	98.7	Very high	80 Å²	80	50.7 Å²	50.7	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-58.1	-41.2	175.2	-26.1	36	0	0	0	113.1	P75 R81	P75-P77 VanDerWaalsContact C-CD 3.48Å; P77-R81 WeakPolarHBondContact O-CB 3.38Å; P77-R81 PolarHBondContact O-N 2.68Å; P77-R81 VanDerWaalsContact O-N 3.08Å
78	I	98.8	Very high	98.6	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.077	24%	0.238	C	C	.	.	H	α-helix	trans	-70.7	-43.2	178	-58.5	-61.5	0	0	0	110.6	F56 E60 I61 V64 Y68 P75 F76 R81 A82 V120	F56-I78 HydrophobicContact CE1-CG2 4.4Å; F56-I78 HydrophobicContact CZ-CG2 3.75Å; E60-I78 HydrophobicContact CB-CD1 4.47Å; E60-I78 WeakPolarHBondContact O-CD1 3.35Å; I61-I78 HydrophobicContact CD1-CG2 4.42Å; I61-I78 HydrophobicContact CG1-CG2 3.86Å; V64-I78 HydrophobicContact CG2-CD1 4.1Å; V64-I78 HydrophobicContact CG2-CG1 4.3Å; Y68-I78 HydrophobicContact CE2-CG1 4.06Å; P75-I78 HydrophobicContact CB-CB 4.4Å; P75-I78 PolarHBondContact O-N 3.04Å; P75-I78 VanDerWaalsContact O-N 3.1Å; F76-I78 VanDerWaalsContact C-N 3.3Å; F76-I78 PolarHBondContact O-N 3.01Å; I78-R81 PolarHBondContact O-N 2.95Å; I78-A82 PolarHBondContact O-N 2.88Å; I78-V120 HydrophobicContact CB-CG1 4.44Å; I78-V120 HydrophobicContact CG2-CG1 3.64Å
79	I	98.8	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-49	176.5	-69.5	168.7	0	0	0	110.7	Y74 P75 F76 R81 A82 W83 M88 A123 I124 M156	Y74-I79 HydrophobicContact CD1-CD1 4.28Å; Y74-I79 HydrophobicContact CE1-CD1 3.56Å; Y74-I79 HydrophobicContact CE2-CD1 4.17Å; P75-I79 HydrophobicContact CG-CD1 4.07Å; P75-I79 HydrophobicContact CG-CG1 4.39Å; P75-I79 WeakPolarHBondContact O-CG1 3.21Å; P75-I79 PolarHBondContact O-N 3.21Å; F76-I79 PolarHBondContact O-N 3.19Å; I79-R81 VanDerWaalsContact C-N 3.25Å; I79-R81 PolarHBondContact O-N 3.27Å; I79-A82 WeakPolarHBondContact O-CB 3.25Å; I79-A82 PolarHBondContact O-N 3.16Å; I79-A82 VanDerWaalsContact O-N 3.16Å; I79-W83 PolarHBondContact O-N 3.23Å; I79-M88 HydrophobicContact CB-SD 4.49Å; I79-M88 HydrophobicContact CG2-CE 3.87Å; I79-M88 HydrophobicContact CG2-SD 3.64Å; I79-A123 HydrophobicContact CD1-CB 3.86Å; I79-I124 HydrophobicContact CG1-CG1 4.24Å; I79-M156 HydrophobicContact CD1-CE 4.46Å; I79-M156 HydrophobicContact CG2-CE 4.05Å; I79-M156 HydrophobicContact CG2-SD 3.61Å
80	K	98.8	Very high	98.5	Very high	91 Å²	91	48 Å²	48	40%	0.396	24%	0.236	S	C	.	.	H	α-helix	trans	-57.6	-42.4	176.7	178.4	176.1	178.5	-172.6	0	111	F76 W83 E84 P154	F76-K80 HydrophobicContact CE1-CB 4.44Å; F76-K80 HydrophobicContact CE1-CD 4.44Å; F76-K80 WeakPolarHBondContact O-CB 3.37Å; F76-K80 PolarHBondContact O-N 2.91Å; K80-W83 WeakPolarHBondContact O-CB 3.44Å; K80-W83 PolarHBondContact O-N 3.45Å; K80-E84 VanDerWaalsContact CE-OE1 3.28Å; K80-E84 WeakPolarHBondContact CE-OE1 3.11Å; K80-E84 WeakPolarHBondContact O-CG 3.4Å; K80-E84 PolarHBondContact O-N 2.94Å; K80-P154 HydrophobicContact CG-CB 4.46Å; K80-P154 HydrophobicContact CG-CG 4.17Å
81	R	98.8	Very high	98.4	Very high	91 Å²	91	41.8 Å²	41.8	34%	0.343	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-42.1	177.3	-173.9	61.6	177.3	154.4	5.8	112.6	F56 E60 P77 I78 I79 W83 E84 L85	F56-R81 HydrophobicContact CD2-CG 4.19Å; F56-R81 HydrophobicContact CE2-CB 3.93Å; F56-R81 HydrophobicContact CE2-CG 3.52Å; F56-R81 HydrophobicContact CZ-CB 4.28Å; F56-R81 HydrophobicContact CZ-CG 4.31Å; E60-R81 IonicContact OE1-NE 3.68Å; E60-R81 PolarHBondContact OE1-NE 3.08Å; E60-R81 WeakPolarHBondContact OE2-CG 3.33Å; P77-R81 WeakPolarHBondContact O-CB 3.38Å; P77-R81 PolarHBondContact O-N 2.68Å; P77-R81 VanDerWaalsContact O-N 3.08Å; I78-R81 PolarHBondContact O-N 2.95Å; I79-R81 VanDerWaalsContact C-N 3.25Å; I79-R81 PolarHBondContact O-N 3.27Å; R81-W83 VanDerWaalsContact C-N 3.27Å; R81-W83 PolarHBondContact O-N 3.32Å; R81-E84 WeakPolarHBondContact CD-OE2 3.26Å; R81-E84 IonicContact NH1-OE2 3.8Å; R81-E84 PolarHBondContact NH1-OE2 2.96Å; R81-E84 VanDerWaalsContact NH1-OE2 3.07Å; R81-E84 PolarHBondContact O-N 3.45Å; R81-L85 HydrophobicContact CG-CD1 4.24Å; R81-L85 WeakPolarHBondContact O-CG 3.35Å; R81-L85 PolarHBondContact O-N 2.67Å
82	A	98.8	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-40.3	174	0	0	0	0	0	111.5	F56 I78 I79 L85 G86 L87 M88 I124	F56-A82 HydrophobicContact CE1-CB 3.73Å; F56-A82 HydrophobicContact CZ-CB 3.92Å; I78-A82 PolarHBondContact O-N 2.88Å; I79-A82 WeakPolarHBondContact O-CB 3.25Å; I79-A82 PolarHBondContact O-N 3.16Å; I79-A82 VanDerWaalsContact O-N 3.16Å; A82-L85 PolarHBondContact O-N 3.32Å; A82-G86 PolarHBondContact O-N 3.34Å; A82-L87 HydrophobicContact CB-CB 4.36Å; A82-L87 WeakPolarHBondContact O-CB 3.38Å; A82-L87 PolarHBondContact O-N 2.61Å; A82-M88 HydrophobicContact CB-CG 3.75Å; A82-M88 HydrophobicContact CB-SD 4Å; A82-I124 HydrophobicContact CB-CD1 3.77Å
83	W	98.8	Very high	98.4	Very high	64 Å²	64	39 Å²	39	24%	0.242	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-46	173.9	177.7	92.6	0	0	0	112.5	I79 K80 R81 L85 G86 M88 M150 T151 E153 P154	I79-W83 PolarHBondContact O-N 3.23Å; K80-W83 WeakPolarHBondContact O-CB 3.44Å; K80-W83 PolarHBondContact O-N 3.45Å; R81-W83 VanDerWaalsContact C-N 3.27Å; R81-W83 PolarHBondContact O-N 3.32Å; W83-L85 PolarHBondContact O-N 2.88Å; W83-G86 PolarHBondContact O-N 2.93Å; W83-M88 HydrophobicContact CB-CB 4.47Å; W83-M88 HydrophobicContact CB-CG 4.46Å; W83-M88 HydrophobicContact CB-SD 4.06Å; W83-M150 PolarHBondContact NE1-O 3.28Å; W83-T151 WeakPolarHBondContact CZ2-O 3.49Å; W83-E153 PolarHBondContact NE1-O 3.48Å; W83-P154 HydrophobicContact CB-CB 3.97Å; W83-P154 HydrophobicContact CD2-CB 3.83Å; W83-P154 HydrophobicContact CE3-CB 4.17Å; W83-P154 HydrophobicContact CG-CB 3.74Å
84	E	98.6	Very high	98.3	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.444	20%	0.198	S	C	.	.	H	α-helix	trans	-60.3	-30	177.1	-71.6	172.6	179.8	0	0	113	K80 R81	K80-E84 VanDerWaalsContact CE-OE1 3.28Å; K80-E84 WeakPolarHBondContact CE-OE1 3.11Å; K80-E84 WeakPolarHBondContact O-CG 3.4Å; K80-E84 PolarHBondContact O-N 2.94Å; R81-E84 WeakPolarHBondContact CD-OE2 3.26Å; R81-E84 IonicContact NH1-OE2 3.8Å; R81-E84 PolarHBondContact NH1-OE2 2.96Å; R81-E84 VanDerWaalsContact NH1-OE2 3.07Å; R81-E84 PolarHBondContact O-N 3.45Å
85	L	98.4	Very high	98.2	Very high	43 Å²	43	44.6 Å²	44.6	23%	0.225	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.1	177.8	-67.2	176.2	0	0	0	113.6	L52 F56 R81 A82 W83 L87	L52-L85 HydrophobicContact CD1-CD2 4.37Å; F56-L85 HydrophobicContact CB-CD1 4.02Å; F56-L85 HydrophobicContact CD2-CD1 3.57Å; F56-L85 HydrophobicContact CE2-CD1 4.2Å; F56-L85 HydrophobicContact CG-CD1 3.82Å; R81-L85 HydrophobicContact CG-CD1 4.24Å; R81-L85 WeakPolarHBondContact O-CG 3.35Å; R81-L85 PolarHBondContact O-N 2.67Å; A82-L85 PolarHBondContact O-N 3.32Å; W83-L85 PolarHBondContact O-N 2.88Å; L85-L87 HydrophobicContact CB-CD1 4.11Å; L85-L87 HydrophobicContact CB-CG 3.98Å; L85-L87 HydrophobicContact CD1-CD1 4.24Å
86	G	97.9	Very high	98.2	Very high	22 Å²	22	45 Å²	45	23%	0.227	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	22.5	-176	0	0	0	0	0	114.3	A82 W83 M88	A82-G86 PolarHBondContact O-N 3.34Å; W83-G86 PolarHBondContact O-N 2.93Å; G86-M88 VanDerWaalsContact C-N 3.35Å
87	L	98.6	Very high	98.1	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.232	C	C	.	.			trans	-95.7	14.4	179.6	-56.4	178.1	0	0	0	112.9	L52 A53 F56 A82 L85 I109 L113	L52-L87 HydrophobicContact CD2-CD2 4.12Å; L52-L87 HydrophobicContact CG-CD2 4.24Å; A53-L87 HydrophobicContact CB-CD1 4.36Å; A53-L87 HydrophobicContact CB-CD2 4.08Å; F56-L87 HydrophobicContact CB-CD1 3.99Å; F56-L87 HydrophobicContact CD1-CD1 3.64Å; F56-L87 HydrophobicContact CE1-CD1 4.41Å; F56-L87 HydrophobicContact CG-CD1 3.99Å; A82-L87 HydrophobicContact CB-CB 4.36Å; A82-L87 WeakPolarHBondContact O-CB 3.38Å; A82-L87 PolarHBondContact O-N 2.61Å; L85-L87 HydrophobicContact CB-CD1 4.11Å; L85-L87 HydrophobicContact CB-CG 3.98Å; L85-L87 HydrophobicContact CD1-CD1 4.24Å; L87-I109 HydrophobicContact CB-CG2 4.17Å; L87-I109 HydrophobicContact CD2-CD1 4.42Å; L87-I109 HydrophobicContact CD2-CG1 4.4Å; L87-I109 HydrophobicContact CD2-CG2 4.08Å; L87-L113 HydrophobicContact CD1-CD2 4.46Å
88	M	97.4	Very high	98.1	Very high	13 Å²	13	40.3 Å²	40.3	6%	0.064	22%	0.216	C	C	.	.	S	Bend	trans	-134.6	156.4	178	-64.4	-165.7	56.2	0	0	110.4	I79 A82 W83 G86 S90 I124 M156	I79-M88 HydrophobicContact CB-SD 4.49Å; I79-M88 HydrophobicContact CG2-CE 3.87Å; I79-M88 HydrophobicContact CG2-SD 3.64Å; A82-M88 HydrophobicContact CB-CG 3.75Å; A82-M88 HydrophobicContact CB-SD 4Å; W83-M88 HydrophobicContact CB-CB 4.47Å; W83-M88 HydrophobicContact CB-CG 4.46Å; W83-M88 HydrophobicContact CB-SD 4.06Å; G86-M88 VanDerWaalsContact C-N 3.35Å; M88-S90 PolarHBondContact O-N 3.39Å; M88-S90 VanDerWaalsContact O-N 3.14Å; M88-I124 HydrophobicContact CB-CG2 4.42Å; M88-I124 HydrophobicContact CE-CB 4.2Å; M88-I124 HydrophobicContact CE-CG1 4.02Å; M88-I124 HydrophobicContact CE-CG2 4.08Å; M88-I124 HydrophobicContact CG-CB 4.47Å; M88-I124 HydrophobicContact CG-CD1 4.38Å; M88-I124 HydrophobicContact CG-CG1 4.17Å; M88-I124 HydrophobicContact CG-CG2 3.67Å; M88-I124 HydrophobicContact SD-CB 4.49Å; M88-I124 HydrophobicContact SD-CD1 4.38Å; M88-I124 HydrophobicContact SD-CG1 3.83Å; M88-I124 HydrophobicContact SD-CG2 4.28Å; M88-M156 HydrophobicContact CE-CE 3.89Å; M88-M156 HydrophobicContact CE-SD 4.13Å
89	N	98.1	Very high	98	Very high	8 Å²	8	43 Å²	43	4%	0.043	23%	0.229	C	C	.	.	S	Bend	trans	57.4	28	174.6	-51.3	-31.2	0	0	0	113.2	H91 I92 N127 Q131 M150	N89-H91 PolarHBondContact O-N 3.27Å; N89-H91 VanDerWaalsContact O-N 3.12Å; N89-I92 HydrophobicContact CB-CD1 3.67Å; N89-I92 HydrophobicContact CB-CG1 4.09Å; N89-I92 WeakPolarHBondContact O-CB 3.4Å; N89-I92 WeakPolarHBondContact O-CG1 3.3Å; N89-I92 PolarHBondContact O-N 3.07Å; N89-N127 WeakPolarHBondContact OD1-CB 3.45Å; N89-N127 PolarHBondContact OD1-ND2 2.96Å; N89-Q131 PolarHBondContact OD1-NE2 3.05Å; N89-M150 PolarHBondContact ND2-O 3.22Å
90	S	96.4	Very high	97.9	Very high	8 Å²	8	44.9 Å²	44.9	6%	0.056	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.6	-171.7	49.1	0	0	0	0	113.7	M88 I92 G100 L101 S106	M88-S90 PolarHBondContact O-N 3.39Å; M88-S90 VanDerWaalsContact O-N 3.14Å; S90-I92 VanDerWaalsContact C-N 3.34Å; S90-G100 PolarHBondContact O-N 3.5Å; S90-L101 PolarHBondContact O-N 2.96Å; S90-S106 WeakPolarHBondContact CB-OG 3.21Å; S90-S106 PolarHBondContact OG-OG 3.23Å
91	H	96.8	Very high	97.8	Very high	13 Å²	13	41.4 Å²	41.4	6%	0.06	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.2	-179	-60.1	-52.2	0	0	0	115.1	N89 P93 L101 G102 I103 S106 M132 I135	N89-H91 PolarHBondContact O-N 3.27Å; N89-H91 VanDerWaalsContact O-N 3.12Å; H91-P93 WeakPolarHBondContact O-CD 3.36Å; H91-L101 PolarHBondContact ND1-O 2.98Å; H91-L101 VanDerWaalsContact ND1-O 3.17Å; H91-G102 PolarHBondContact CE1-O 2.9Å; H91-I103 VanDerWaalsContact CE1-CD1 3.4Å; H91-I103 WeakPolarHBondContact CE1-CD1 3.19Å; H91-S106 WeakPolarHBondContact CE1-CB 3.37Å; H91-S106 PolarHBondContact CE1-OG 3.49Å; H91-S106 PolarHBondContact ND1-OG 3.39Å; H91-S106 WeakPolarHBondContact NE2-CB 3.45Å; H91-S106 PolarHBondContact NE2-OG 3.4Å; H91-M132 HydrophobicContact CB-CE 4.38Å; H91-I135 HydrophobicContact CB-CD1 3.71Å
92	I	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-61.8	125.6	-179.8	-65.9	-175.5	0	0	0	108.2	N89 S90 C96 G98 M99 G100 L147 M150 T151	N89-I92 HydrophobicContact CB-CD1 3.67Å; N89-I92 HydrophobicContact CB-CG1 4.09Å; N89-I92 WeakPolarHBondContact O-CB 3.4Å; N89-I92 WeakPolarHBondContact O-CG1 3.3Å; N89-I92 PolarHBondContact O-N 3.07Å; S90-I92 VanDerWaalsContact C-N 3.34Å; I92-C96 HydrophobicContact CG2-CB 3.65Å; I92-G98 CarbonylContact O-C 3.58Å; I92-G98 VanDerWaalsContact O-CA 3.27Å; I92-G98 WeakPolarHBondContact O-CA 3.39Å; I92-M99 PolarHBondContact O-N 3.23Å; I92-G100 WeakPolarHBondContact O-CA 3.39Å; I92-G100 PolarHBondContact O-N 3.48Å; I92-L147 HydrophobicContact CD1-CB 4.16Å; I92-L147 HydrophobicContact CG1-CB 4.32Å; I92-L147 HydrophobicContact CG2-CB 3.94Å; I92-M150 HydrophobicContact CD1-CB 3.71Å; I92-M150 HydrophobicContact CD1-CG 4.38Å; I92-T151 HydrophobicContact CB-CG2 4.26Å; I92-T151 HydrophobicContact CD1-CG2 3.81Å; I92-T151 HydrophobicContact CG2-CG2 3.76Å
93	P	98.3	Very high	97.8	Very high	33 Å²	33	38.2 Å²	38.2	21%	0.214	23%	0.23	C	C	.	.			trans	-59.7	152.3	-179.7	-26.8	36.6	0	0	0	113.2	H91 D95 C96 G98	H91-P93 WeakPolarHBondContact O-CD 3.36Å; P93-D95 VanDerWaalsContact CB-OD1 3.29Å; P93-D95 WeakPolarHBondContact CB-OD1 3.46Å; P93-D95 PolarHBondContact O-N 2.82Å; P93-C96 WeakPolarHBondContact O-CA 3.33Å; P93-C96 WeakPolarHBondContact O-CB 3.39Å; P93-C96 PolarHBondContact O-N 3.42Å; P93-G98 PolarHBondContact O-N 3.15Å; P93-G98 VanDerWaalsContact O-N 3.13Å
94	E	97.9	Very high	97.8	Very high	152 Å²	152	36.8 Å²	36.8	71%	0.71	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-59	-34.4	180	-64.9	-178.2	-172.4	0	0	113	C96 G97 G98	E94-C96 PolarHBondContact O-N 3.38Å; E94-C96 VanDerWaalsContact O-N 3.16Å; E94-G97 WeakPolarHBondContact O-CA 3.32Å; E94-G97 PolarHBondContact O-N 2.96Å; E94-G98 WeakPolarHBondContact CA-O 3.4Å
95	D	97.2	Very high	97.8	Very high	110 Å²	110	33.4 Å²	33.4	59%	0.588	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-68.7	-10.3	177.4	71.6	-8.2	0	0	0	114	P93	P93-D95 VanDerWaalsContact CB-OD1 3.29Å; P93-D95 WeakPolarHBondContact CB-OD1 3.46Å; P93-D95 PolarHBondContact O-N 2.82Å
96	C	98	Very high	97.8	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.054	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-106.4	11	171	-61.2	0	0	0	0	112.1	I92 P93 E94 L147 T151	I92-C96 HydrophobicContact CG2-CB 3.65Å; P93-C96 WeakPolarHBondContact O-CA 3.33Å; P93-C96 WeakPolarHBondContact O-CB 3.39Å; P93-C96 PolarHBondContact O-N 3.42Å; E94-C96 PolarHBondContact O-N 3.38Å; E94-C96 VanDerWaalsContact O-N 3.16Å; C96-L147 HydrophobicContact CB-CB 4.24Å; C96-T151 PolarHBondContact O-OG1 2.73Å
97	G	97.4	Very high	97.8	Very high	56 Å²	56	30.4 Å²	30.4	58%	0.577	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	11.4	179.9	0	0	0	0	0	114.9	E94	E94-G97 WeakPolarHBondContact O-CA 3.32Å; E94-G97 PolarHBondContact O-N 2.96Å
98	G	97.3	Very high	97.8	Very high	19 Å²	19	30.4 Å²	30.4	20%	0.196	19%	0.189	C	C	.	.	S	Bend	trans	-91.5	-171.6	176.3	0	0	0	0	0	113.2	I92 P93 E94	I92-G98 CarbonylContact O-C 3.58Å; I92-G98 VanDerWaalsContact O-CA 3.27Å; I92-G98 WeakPolarHBondContact O-CA 3.39Å; P93-G98 PolarHBondContact O-N 3.15Å; P93-G98 VanDerWaalsContact O-N 3.13Å; E94-G98 WeakPolarHBondContact CA-O 3.4Å
99	M	96.8	Very high	97.9	Very high	71 Å²	71	30 Å²	30	35%	0.35	19%	0.187	S	C	.	.			trans	-93.3	-13.6	-178.3	-64.2	175.4	70.5	0	0	113.8	F49 I92 L101	F49-M99 HydrophobicContact CE1-CE 3.44Å; F49-M99 VanDerWaalsContact CE1-CE 3.44Å; F49-M99 HydrophobicContact CZ-CE 3.43Å; F49-M99 VanDerWaalsContact CZ-CE 3.43Å; I92-M99 PolarHBondContact O-N 3.23Å; M99-L101 HydrophobicContact CB-CD1 4.43Å; M99-L101 HydrophobicContact CB-CD2 4.23Å; M99-L101 HydrophobicContact CB-CG 3.78Å; M99-L101 HydrophobicContact CE-CD1 3.83Å; M99-L101 HydrophobicContact CE-CD2 4.32Å; M99-L101 HydrophobicContact CE-CG 4.22Å; M99-L101 PolarHBondContact O-N 2.79Å; M99-L101 HydrophobicContact SD-CD1 4.35Å
100	G	97	Very high	97.9	Very high	41 Å²	41	29.9 Å²	29.9	42%	0.423	19%	0.187	S	C	.	.			trans	61.1	24.7	-179.6	0	0	0	0	0	114.8	S90 I92	S90-G100 PolarHBondContact O-N 3.5Å; I92-G100 WeakPolarHBondContact O-CA 3.39Å; I92-G100 PolarHBondContact O-N 3.48Å
101	L	97.6	Very high	98	Very high	18 Å²	18	30.1 Å²	30.1	9%	0.094	19%	0.187	C	C	.	.			trans	-68.8	150.3	-174.8	-61.5	-172.7	0	0	0	112.6	F49 S90 H91 M99 D105 I109	F49-L101 HydrophobicContact CD2-CD1 4.32Å; F49-L101 HydrophobicContact CE2-CD1 3.84Å; F49-L101 HydrophobicContact CE2-CD2 3.8Å; F49-L101 HydrophobicContact CZ-CD1 4Å; F49-L101 HydrophobicContact CZ-CD2 4.03Å; S90-L101 PolarHBondContact O-N 2.96Å; H91-L101 PolarHBondContact ND1-O 2.98Å; H91-L101 VanDerWaalsContact ND1-O 3.17Å; M99-L101 HydrophobicContact CB-CD1 4.43Å; M99-L101 HydrophobicContact CB-CD2 4.23Å; M99-L101 HydrophobicContact CB-CG 3.78Å; M99-L101 HydrophobicContact CE-CD1 3.83Å; M99-L101 HydrophobicContact CE-CD2 4.32Å; M99-L101 HydrophobicContact CE-CG 4.22Å; M99-L101 PolarHBondContact O-N 2.79Å; M99-L101 HydrophobicContact SD-CD1 4.35Å; L101-D105 HydrophobicContact CB-CB 4.09Å; L101-D105 HydrophobicContact CD1-CB 4.16Å; L101-I109 HydrophobicContact CD1-CD1 4.31Å
102	G	97.8	Very high	98.1	Very high	20 Å²	20	30.2 Å²	30.2	21%	0.206	19%	0.188	C	C	.	.			trans	-68.4	171.4	175.7	0	0	0	0	0	113.2	H91 F104 D105 S106	H91-G102 PolarHBondContact CE1-O 2.9Å; G102-F104 VanDerWaalsContact C-N 3.27Å; G102-D105 PolarHBondContact N-OD2 3.01Å; G102-D105 VanDerWaalsContact N-OD2 3.07Å; G102-S106 PolarHBondContact O-N 3.13Å; G102-S106 PolarHBondContact O-OG 3.17Å
103	I	98.6	Very high	98.2	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-35.6	171.8	-54	-55.6	0	0	0	110.1	H91 S106 C107 M132 K280 P283 P284 A342 V345 D346	H91-I103 VanDerWaalsContact CE1-CD1 3.4Å; H91-I103 WeakPolarHBondContact CE1-CD1 3.19Å; I103-S106 PolarHBondContact O-N 3.45Å; I103-C107 PolarHBondContact O-N 3.05Å; I103-C107 PolarHBondContact O-SG 3.46Å; I103-M132 HydrophobicContact CD1-CE 4.2Å; I103-K280 HydrophobicContact CD1-CB 3.7Å; I103-K280 HydrophobicContact CD1-CD 4.17Å; I103-K280 HydrophobicContact CD1-CG 3.92Å; I103-K280 HydrophobicContact CG1-CB 4.34Å; I103-K280 HydrophobicContact CG1-CG 4.2Å; I103-P283 HydrophobicContact CG2-CB 4.01Å; I103-P283 HydrophobicContact CG2-CG 4.1Å; I103-P284 HydrophobicContact CG2-CG 4.31Å; I103-A342 HydrophobicContact CB-CB 4.3Å; I103-A342 HydrophobicContact CG2-CB 3.9Å; I103-V345 HydrophobicContact CB-CG1 3.79Å; I103-V345 HydrophobicContact CG1-CG1 3.58Å; I103-V345 HydrophobicContact CG2-CG1 4.01Å; I103-D346 WeakPolarHBondContact CB-OD1 3.17Å; I103-D346 WeakPolarHBondContact CG1-OD1 3.46Å; I103-D346 PolarHBondContact N-OD1 2.89Å; I103-D346 PolarHBondContact N-OD2 3.3Å; I103-D346 VanDerWaalsContact N-OD2 3.16Å
104	F	98.8	Very high	98.2	Very high	34 Å²	34	28.9 Å²	28.9	15%	0.149	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-48.9	178.7	-165	-81.8	0	0	0	112.1	Q46 G102 S106 C107 L108 W338 Q339 A342 W343 D346	Q46-F104 VanDerWaalsContact NE2-CD1 3.32Å; G102-F104 VanDerWaalsContact C-N 3.27Å; F104-S106 VanDerWaalsContact C-N 3.26Å; F104-S106 PolarHBondContact O-N 3.43Å; F104-C107 WeakPolarHBondContact O-CB 3.3Å; F104-C107 PolarHBondContact O-N 3.3Å; F104-L108 HydrophobicContact CD1-CD1 3.79Å; F104-L108 HydrophobicContact CD1-CG 4.15Å; F104-L108 HydrophobicContact CE1-CD1 3.71Å; F104-L108 HydrophobicContact CE1-CD2 4.36Å; F104-L108 HydrophobicContact CE1-CG 4.03Å; F104-L108 PolarHBondContact O-N 3.43Å; F104-W338 HydrophobicContact CD2-CZ3 4.48Å; F104-W338 HydrophobicContact CE2-CZ3 4.37Å; F104-Q339 HydrophobicContact CE2-CB 3.86Å; F104-Q339 HydrophobicContact CE2-CG 3.9Å; F104-Q339 HydrophobicContact CZ-CB 4.46Å; F104-Q339 HydrophobicContact CZ-CG 4.05Å; F104-A342 HydrophobicContact CB-CB 4.13Å; F104-A342 HydrophobicContact CD2-CB 4.13Å; F104-W343 HydrophobicContact CD2-CB 4.46Å; F104-D346 VanDerWaalsContact CB-OD2 3.31Å; F104-D346 WeakPolarHBondContact CB-OD2 3.48Å; F104-D346 PolarHBondContact N-OD2 2.98Å
105	D	98.5	Very high	98.2	Very high	23 Å²	23	22.5 Å²	22.5	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-37.9	179.3	-47.7	-47.4	0	0	0	111	Q46 L101 G102 L108 I109	Q46-D105 WeakPolarHBondContact CG-OD1 3.29Å; Q46-D105 PolarHBondContact NE2-OD1 3.14Å; L101-D105 HydrophobicContact CB-CB 4.09Å; L101-D105 HydrophobicContact CD1-CB 4.16Å; G102-D105 PolarHBondContact N-OD2 3.01Å; G102-D105 VanDerWaalsContact N-OD2 3.07Å; D105-L108 WeakPolarHBondContact O-CB 3.31Å; D105-L108 PolarHBondContact O-N 3.2Å; D105-I109 WeakPolarHBondContact O-CG1 3.45Å; D105-I109 PolarHBondContact O-N 2.94Å; D105-I109 VanDerWaalsContact O-N 3.1Å
106	S	98.2	Very high	98.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	12%	0.122	C	C	.	.	H	α-helix	trans	-72.9	-33.5	179.7	-56.5	0	0	0	0	112.7	S90 H91 G102 I103 F104 T110	S90-S106 WeakPolarHBondContact CB-OG 3.21Å; S90-S106 PolarHBondContact OG-OG 3.23Å; H91-S106 WeakPolarHBondContact CE1-CB 3.37Å; H91-S106 PolarHBondContact CE1-OG 3.49Å; H91-S106 PolarHBondContact ND1-OG 3.39Å; H91-S106 WeakPolarHBondContact NE2-CB 3.45Å; H91-S106 PolarHBondContact NE2-OG 3.4Å; G102-S106 PolarHBondContact O-N 3.13Å; G102-S106 PolarHBondContact O-OG 3.17Å; I103-S106 PolarHBondContact O-N 3.45Å; F104-S106 VanDerWaalsContact C-N 3.26Å; F104-S106 PolarHBondContact O-N 3.43Å; S106-T110 WeakPolarHBondContact O-CB 3.45Å; S106-T110 PolarHBondContact O-N 3Å; S106-T110 PolarHBondContact O-OG1 2.7Å
107	C	98.9	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-42.7	169.4	-71.5	0	0	0	0	111.9	I103 F104 T110 E111 P284 A287 W338	I103-C107 PolarHBondContact O-N 3.05Å; I103-C107 PolarHBondContact O-SG 3.46Å; F104-C107 WeakPolarHBondContact O-CB 3.3Å; F104-C107 PolarHBondContact O-N 3.3Å; C107-T110 PolarHBondContact O-N 2.81Å; C107-E111 PolarHBondContact O-N 3.22Å; C107-P284 VanDerWaalsContact SG-N 3.35Å; C107-A287 HydrophobicContact CB-CB 3.85Å; C107-A287 WeakPolarHBondContact O-CB 3.36Å; C107-W338 HydrophobicContact CB-CD2 4.04Å; C107-W338 HydrophobicContact CB-CE3 3.27Å; C107-W338 HydrophobicContact CB-CH2 4.07Å; C107-W338 HydrophobicContact CB-CZ3 3.3Å
108	L	98.5	Very high	98.4	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-58.6	-50.2	177.3	-73.8	170.3	0	0	0	111.5	M42 Q46 F104 D105 T110 E111 E112 W338	M42-L108 HydrophobicContact SD-CD1 4.06Å; M42-L108 HydrophobicContact SD-CD2 3.62Å; Q46-L108 HydrophobicContact CB-CD1 3.77Å; Q46-L108 HydrophobicContact CG-CD1 3.82Å; F104-L108 HydrophobicContact CD1-CD1 3.79Å; F104-L108 HydrophobicContact CD1-CG 4.15Å; F104-L108 HydrophobicContact CE1-CD1 3.71Å; F104-L108 HydrophobicContact CE1-CD2 4.36Å; F104-L108 HydrophobicContact CE1-CG 4.03Å; F104-L108 PolarHBondContact O-N 3.43Å; D105-L108 WeakPolarHBondContact O-CB 3.31Å; D105-L108 PolarHBondContact O-N 3.2Å; L108-T110 VanDerWaalsContact C-N 3.33Å; L108-T110 PolarHBondContact O-N 2.96Å; L108-E111 PolarHBondContact O-N 2.94Å; L108-E112 PolarHBondContact O-N 3.01Å; L108-W338 HydrophobicContact CD2-CH2 3.76Å; L108-W338 HydrophobicContact CD2-CZ2 4.5Å; L108-W338 HydrophobicContact CG-CH2 4.1Å
109	I	98.9	Very high	98.5	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-45.5	176.6	-66.4	165.9	0	0	0	110.2	F49 A53 L87 L101 D105 E111 E112 L113	F49-I109 HydrophobicContact CB-CD1 4.37Å; F49-I109 HydrophobicContact CB-CG1 4.23Å; A53-I109 HydrophobicContact CB-CG2 4.23Å; L87-I109 HydrophobicContact CB-CG2 4.17Å; L87-I109 HydrophobicContact CD2-CD1 4.42Å; L87-I109 HydrophobicContact CD2-CG1 4.4Å; L87-I109 HydrophobicContact CD2-CG2 4.08Å; L101-I109 HydrophobicContact CD1-CD1 4.31Å; D105-I109 WeakPolarHBondContact O-CG1 3.45Å; D105-I109 PolarHBondContact O-N 2.94Å; D105-I109 VanDerWaalsContact O-N 3.1Å; I109-E111 PolarHBondContact O-N 2.73Å; I109-E112 PolarHBondContact O-N 2.86Å; I109-L113 HydrophobicContact CG2-CD1 3.81Å; I109-L113 HydrophobicContact CG2-CG 4.18Å; I109-L113 WeakPolarHBondContact O-CG 3.36Å; I109-L113 PolarHBondContact O-N 3.46Å
110	T	98.9	Very high	98.6	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.031	7%	0.067	C	C	.	.	H	α-helix	trans	-60.1	-42.8	-178.8	-71.5	0	0	0	0	112.8	S106 C107 L108 E112 L113 A114 Q121 P284 A287	S106-T110 WeakPolarHBondContact O-CB 3.45Å; S106-T110 PolarHBondContact O-N 3Å; S106-T110 PolarHBondContact O-OG1 2.7Å; C107-T110 PolarHBondContact O-N 2.81Å; L108-T110 VanDerWaalsContact C-N 3.33Å; L108-T110 PolarHBondContact O-N 2.96Å; T110-E112 VanDerWaalsContact C-N 3.34Å; T110-E112 PolarHBondContact O-N 3.23Å; T110-L113 PolarHBondContact O-N 3.03Å; T110-A114 WeakPolarHBondContact O-CB 3.41Å; T110-A114 PolarHBondContact O-N 3.21Å; T110-Q121 HydrophobicContact CG2-CG 4.16Å; T110-P284 HydrophobicContact CG2-CB 4.5Å; T110-P284 WeakPolarHBondContact CG2-O 3.34Å; T110-A287 HydrophobicContact CG2-CB 4.19Å
111	E	98.9	Very high	98.7	Very high	14 Å²	14	8.4 Å²	8.4	7%	0.065	5%	0.047	C	C	.	.	H	α-helix	trans	-60.6	-44.6	179	-170	175.1	136.8	0	0	111.3	C107 L108 I109 A114 Y115 A287 T290 G291 R335 W338	C107-E111 PolarHBondContact O-N 3.22Å; L108-E111 PolarHBondContact O-N 2.94Å; I109-E111 PolarHBondContact O-N 2.73Å; E111-A114 PolarHBondContact O-N 3.05Å; E111-Y115 PolarHBondContact O-N 3.25Å; E111-A287 HydrophobicContact CB-CB 4.32Å; E111-T290 HydrophobicContact CG-CG2 4.4Å; E111-T290 WeakPolarHBondContact OE2-CG2 3.38Å; E111-G291 WeakPolarHBondContact O-CA 3.48Å; E111-R335 IonicContact OE1-CZ 3.31Å; E111-R335 IonicContact OE1-NE 3.46Å; E111-R335 PolarHBondContact OE1-NE 2.79Å; E111-R335 IonicContact OE1-NH2 3.28Å; E111-R335 PolarHBondContact OE1-NH2 3.11Å; E111-R335 IonicContact OE2-NE 3.53Å; E111-R335 PolarHBondContact OE2-NE 3.24Å; E111-W338 VanDerWaalsContact OE2-CE2 3.23Å; E111-W338 WeakPolarHBondContact OE2-CZ2 3.42Å; E111-W338 PolarHBondContact OE2-NE1 2.71Å
112	E	98.9	Very high	98.8	Very high	15 Å²	15	7.9 Å²	7.9	7%	0.07	5%	0.045	C	C	.	.	H	α-helix	trans	-66.1	-44.2	178.5	-63.3	-67.1	163.9	0	0	111.7	Q50 A53 R54 S57 L108 I109 T110 A114 Y115 G116	Q50-E112 HydrophobicContact CG-CG 3.93Å; Q50-E112 WeakPolarHBondContact CG-OE1 3.39Å; A53-E112 HydrophobicContact CB-CB 3.76Å; A53-E112 HydrophobicContact CB-CG 4.26Å; R54-E112 HydrophobicContact CB-CG 4.3Å; R54-E112 WeakPolarHBondContact CB-OE2 3.48Å; R54-E112 VanDerWaalsContact CG-OE2 3.3Å; R54-E112 WeakPolarHBondContact CG-OE2 3.03Å; R54-E112 IonicContact CZ-OE1 3.72Å; R54-E112 IonicContact NE-OE1 3.53Å; R54-E112 PolarHBondContact NE-OE1 3.48Å; R54-E112 IonicContact NE-OE2 3.46Å; R54-E112 PolarHBondContact NE-OE2 3.02Å; R54-E112 VanDerWaalsContact NE-OE2 3.15Å; R54-E112 IonicContact NH2-OE1 2.79Å; R54-E112 PolarHBondContact NH2-OE1 3.31Å; S57-E112 VanDerWaalsContact CB-O 3.26Å; S57-E112 WeakPolarHBondContact CB-O 3.32Å; S57-E112 VanDerWaalsContact OG-C 3.29Å; S57-E112 PolarHBondContact OG-O 3.19Å; L108-E112 PolarHBondContact O-N 3.01Å; I109-E112 PolarHBondContact O-N 2.86Å; T110-E112 VanDerWaalsContact C-N 3.34Å; T110-E112 PolarHBondContact O-N 3.23Å; E112-A114 VanDerWaalsContact C-N 3.32Å; E112-A114 PolarHBondContact O-N 3.41Å; E112-Y115 WeakPolarHBondContact O-CB 3.43Å; E112-Y115 PolarHBondContact O-N 3.4Å; E112-G116 PolarHBondContact O-N 3.11Å
113	L	98.9	Very high	98.8	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.01	4%	0.035	C	C	.	.	H	α-helix	trans	-61.7	-40.5	176.2	-65.8	178	0	0	0	112.1	F56 S57 I61 L87 I109 T110 G116 C117 Q121 I124	F56-L113 HydrophobicContact CD1-CD2 3.62Å; F56-L113 HydrophobicContact CE1-CD2 3.81Å; S57-L113 WeakPolarHBondContact OG-CA 3.4Å; S57-L113 PolarHBondContact OG-N 2.94Å; I61-L113 HydrophobicContact CD1-CD2 3.8Å; L87-L113 HydrophobicContact CD1-CD2 4.46Å; I109-L113 HydrophobicContact CG2-CD1 3.81Å; I109-L113 HydrophobicContact CG2-CG 4.18Å; I109-L113 WeakPolarHBondContact O-CG 3.36Å; I109-L113 PolarHBondContact O-N 3.46Å; T110-L113 PolarHBondContact O-N 3.03Å; L113-G116 PolarHBondContact O-N 3.46Å; L113-G116 VanDerWaalsContact O-N 3.16Å; L113-C117 PolarHBondContact O-N 3.18Å; L113-C117 VanDerWaalsContact O-N 3.11Å; L113-Q121 HydrophobicContact CB-CB 3.98Å; L113-Q121 HydrophobicContact CB-CG 3.83Å; L113-I124 HydrophobicContact CD1-CD1 4.1Å; L113-I124 HydrophobicContact CD1-CG2 4.38Å
114	A	98.9	Very high	98.8	Very high	2 Å²	2	7 Å²	7	2%	0.017	4%	0.035	C	C	.	.	H	α-helix	trans	-67.8	-33.4	179.8	0	0	0	0	0	113.1	T110 E111 E112 G116 C117 T118 Q121 G288	T110-A114 WeakPolarHBondContact O-CB 3.41Å; T110-A114 PolarHBondContact O-N 3.21Å; E111-A114 PolarHBondContact O-N 3.05Å; E112-A114 VanDerWaalsContact C-N 3.32Å; E112-A114 PolarHBondContact O-N 3.41Å; A114-G116 PolarHBondContact O-N 3.48Å; A114-C117 PolarHBondContact O-N 2.9Å; A114-T118 HydrophobicContact CB-CG2 3.89Å; A114-Q121 HydrophobicContact CB-CB 4.42Å; A114-Q121 HydrophobicContact CB-CG 4.11Å; A114-G288 VanDerWaalsContact CB-O 3.28Å; A114-G288 WeakPolarHBondContact CB-O 3.45Å
115	Y	98.9	Very high	98.8	Very high	18 Å²	18	6.1 Å²	6.1	7%	0.071	3%	0.032	C	C	.	.	H	α-helix	trans	-56.5	-37.8	170.5	-180	-83.9	0	0	0	111.9	R58 E111 E112 G291 Q294 R295 D298	R58-Y115 PolarHBondContact NH1-OH 3.01Å; R58-Y115 PolarHBondContact NH2-OH 3.37Å; E111-Y115 PolarHBondContact O-N 3.25Å; E112-Y115 WeakPolarHBondContact O-CB 3.43Å; E112-Y115 PolarHBondContact O-N 3.4Å; Y115-G291 WeakPolarHBondContact CA-O 3.22Å; Y115-Q294 HydrophobicContact CD2-CB 4.17Å; Y115-Q294 HydrophobicContact CD2-CG 3.98Å; Y115-Q294 HydrophobicContact CE2-CG 4.08Å; Y115-R295 HydrophobicContact CD2-CB 3.68Å; Y115-R295 VanDerWaalsContact CE2-CA 3.46Å; Y115-R295 HydrophobicContact CE2-CB 3.92Å; Y115-R295 HydrophobicContact CE2-CG 4.48Å; Y115-R295 HydrophobicContact CG-CB 4.08Å; Y115-R295 VanDerWaalsContact CZ-CD 3.46Å; Y115-R295 WeakPolarHBondContact O-CG 3.47Å; Y115-R295 PolarHBondContact O-NH1 3Å; Y115-D298 HydrophobicContact CE2-CB 4.22Å; Y115-D298 WeakPolarHBondContact CE2-OD2 3.33Å; Y115-D298 VanDerWaalsContact CZ-OD2 3.26Å; Y115-D298 PolarHBondContact OH-OD2 3.44Å
116	G	98.9	Very high	98.8	Very high	3 Å²	3	5.4 Å²	5.4	3%	0.031	3%	0.029	C	C	.	.	H	α-helix	trans	-67.3	-64.3	174.5	0	0	0	0	0	112.2	E112 L113 A114 R295	E112-G116 PolarHBondContact O-N 3.11Å; L113-G116 PolarHBondContact O-N 3.46Å; L113-G116 VanDerWaalsContact O-N 3.16Å; A114-G116 PolarHBondContact O-N 3.48Å; G116-R295 PolarHBondContact O-NH1 3.28Å
117	C	98.9	Very high	98.8	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.014	3%	0.028	C	C	.	.			trans	-163.4	116.6	177.3	-177.5	0	0	0	0	111.5	I61 A65 L113 A114 G119 V120 Q121 K390	I61-C117 HydrophobicContact CG2-CB 3.53Å; A65-C117 HydrophobicContact CB-CB 3.79Å; L113-C117 PolarHBondContact O-N 3.18Å; L113-C117 VanDerWaalsContact O-N 3.11Å; A114-C117 PolarHBondContact O-N 2.9Å; C117-G119 PolarHBondContact O-N 2.75Å; C117-V120 HydrophobicContact CB-CB 4.23Å; C117-V120 HydrophobicContact CB-CG2 3.96Å; C117-V120 PolarHBondContact O-N 3.38Å; C117-V120 VanDerWaalsContact O-N 3.13Å; C117-Q121 PolarHBondContact O-N 3.45Å; C117-K390 PolarHBondContact SG-NZ 2.92Å
118	T	98.9	Very high	98.8	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.012	3%	0.029	C	C	.	.	H	α-helix	trans	-67.2	-21	177.9	59.5	0	0	0	0	114.3	A114 T122 Q243 L292 D394 Y398	A114-T118 HydrophobicContact CB-CG2 3.89Å; T118-T122 WeakPolarHBondContact O-CB 3.26Å; T118-T122 PolarHBondContact O-N 3.3Å; T118-T122 PolarHBondContact O-OG1 3.42Å; T118-Q243 PolarHBondContact OG1-NE2 3.1Å; T118-L292 HydrophobicContact CG2-CB 3.76Å; T118-L292 HydrophobicContact CG2-CD1 3.71Å; T118-L292 HydrophobicContact CG2-CG 4.26Å; T118-D394 WeakPolarHBondContact OG1-CB 3.38Å; T118-Y398 VanDerWaalsContact CB-OH 3.3Å; T118-Y398 WeakPolarHBondContact CB-OH 3.47Å; T118-Y398 HydrophobicContact CG2-CE2 4Å; T118-Y398 WeakPolarHBondContact CG2-OH 3.36Å
119	G	98.9	Very high	98.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-66.8	-40.4	171.2	0	0	0	0	0	112.8	C117 A123	C117-G119 PolarHBondContact O-N 2.75Å; G119-A123 PolarHBondContact O-N 3.13Å
120	V	98.9	Very high	98.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-70.1	-50.6	173.6	176.2	0	0	0	0	109.7	I61 P75 I78 C117 T122 A123 I124	I61-V120 HydrophobicContact CD1-CG1 4.38Å; I61-V120 HydrophobicContact CG2-CB 4.41Å; I61-V120 HydrophobicContact CG2-CG2 4.22Å; P75-V120 HydrophobicContact CB-CG2 4.01Å; P75-V120 HydrophobicContact CG-CB 4.39Å; P75-V120 HydrophobicContact CG-CG1 4.45Å; P75-V120 HydrophobicContact CG-CG2 3.86Å; I78-V120 HydrophobicContact CB-CG1 4.44Å; I78-V120 HydrophobicContact CG2-CG1 3.64Å; C117-V120 HydrophobicContact CB-CB 4.23Å; C117-V120 HydrophobicContact CB-CG2 3.96Å; C117-V120 PolarHBondContact O-N 3.38Å; C117-V120 VanDerWaalsContact O-N 3.13Å; V120-T122 VanDerWaalsContact C-N 3.28Å; V120-T122 PolarHBondContact O-N 2.67Å; V120-A123 WeakPolarHBondContact O-CB 3.5Å; V120-A123 PolarHBondContact O-N 3.34Å; V120-A123 VanDerWaalsContact O-N 3.1Å; V120-I124 HydrophobicContact CG1-CD1 4.14Å; V120-I124 PolarHBondContact O-N 3.25Å; V120-I124 VanDerWaalsContact O-N 3.1Å
121	Q	98.9	Very high	98.8	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.009	3%	0.031	C	C	.	.	H	α-helix	trans	-59.6	-37.4	-179.7	179.8	-80.8	-36.9	0	0	111.9	T110 L113 A114 C117 A123 I124 E125	T110-Q121 HydrophobicContact CG2-CG 4.16Å; L113-Q121 HydrophobicContact CB-CB 3.98Å; L113-Q121 HydrophobicContact CB-CG 3.83Å; A114-Q121 HydrophobicContact CB-CB 4.42Å; A114-Q121 HydrophobicContact CB-CG 4.11Å; C117-Q121 PolarHBondContact O-N 3.45Å; Q121-A123 PolarHBondContact O-N 2.97Å; Q121-I124 WeakPolarHBondContact O-CB 3.4Å; Q121-I124 PolarHBondContact O-N 3.1Å; Q121-E125 VanDerWaalsContact NE2-CB 3.25Å; Q121-E125 WeakPolarHBondContact O-CB 3.47Å; Q121-E125 PolarHBondContact O-N 3.31Å
122	T	98.9	Very high	98.8	Very high	7 Å²	7	5.3 Å²	5.3	4%	0.043	3%	0.029	C	C	.	.	H	α-helix	trans	-67.2	-35.2	176.7	-67.8	0	0	0	0	112.4	T118 V120 I124 A126 T194 Q243 Y401	T118-T122 WeakPolarHBondContact O-CB 3.26Å; T118-T122 PolarHBondContact O-N 3.3Å; T118-T122 PolarHBondContact O-OG1 3.42Å; V120-T122 VanDerWaalsContact C-N 3.28Å; V120-T122 PolarHBondContact O-N 2.67Å; T122-I124 VanDerWaalsContact C-N 3.31Å; T122-A126 WeakPolarHBondContact O-CB 3.28Å; T122-A126 PolarHBondContact O-N 2.92Å; T122-T194 HydrophobicContact CG2-CG2 3.94Å; T122-Q243 PolarHBondContact OG1-NE2 2.83Å; T122-Q243 PolarHBondContact OG1-OE1 3.01Å; T122-Y401 HydrophobicContact CG2-CE2 4.26Å
123	A	98.9	Very high	98.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-65.2	-38.5	173	0	0	0	0	0	111.3	Y74 I79 G119 V120 Q121 M156 N195	Y74-A123 HydrophobicContact CE2-CB 3.85Å; I79-A123 HydrophobicContact CD1-CB 3.86Å; G119-A123 PolarHBondContact O-N 3.13Å; V120-A123 WeakPolarHBondContact O-CB 3.5Å; V120-A123 PolarHBondContact O-N 3.34Å; V120-A123 VanDerWaalsContact O-N 3.1Å; Q121-A123 PolarHBondContact O-N 2.97Å; A123-M156 WeakPolarHBondContact O-CE 3.37Å; A123-N195 PolarHBondContact O-ND2 2.8Å
124	I	98.8	Very high	98.8	Very high	6 Å²	6	4.5 Å²	4.5	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-65.8	-51.7	174.4	-69.1	171.9	0	0	0	111	I79 A82 M88 L113 V120 Q121 T122 A126 N127	I79-I124 HydrophobicContact CG1-CG1 4.24Å; A82-I124 HydrophobicContact CB-CD1 3.77Å; M88-I124 HydrophobicContact CB-CG2 4.42Å; M88-I124 HydrophobicContact CE-CB 4.2Å; M88-I124 HydrophobicContact CE-CG1 4.02Å; M88-I124 HydrophobicContact CE-CG2 4.08Å; M88-I124 HydrophobicContact CG-CB 4.47Å; M88-I124 HydrophobicContact CG-CD1 4.38Å; M88-I124 HydrophobicContact CG-CG1 4.17Å; M88-I124 HydrophobicContact CG-CG2 3.67Å; M88-I124 HydrophobicContact SD-CB 4.49Å; M88-I124 HydrophobicContact SD-CD1 4.38Å; M88-I124 HydrophobicContact SD-CG1 3.83Å; M88-I124 HydrophobicContact SD-CG2 4.28Å; L113-I124 HydrophobicContact CD1-CD1 4.1Å; L113-I124 HydrophobicContact CD1-CG2 4.38Å; V120-I124 HydrophobicContact CG1-CD1 4.14Å; V120-I124 PolarHBondContact O-N 3.25Å; V120-I124 VanDerWaalsContact O-N 3.1Å; Q121-I124 WeakPolarHBondContact O-CB 3.4Å; Q121-I124 PolarHBondContact O-N 3.1Å; T122-I124 VanDerWaalsContact C-N 3.31Å; I124-A126 VanDerWaalsContact C-N 3.29Å; I124-A126 PolarHBondContact O-N 3.49Å; I124-N127 VanDerWaalsContact O-CB 3.3Å; I124-N127 WeakPolarHBondContact O-CB 3.34Å; I124-N127 PolarHBondContact O-N 3.43Å
125	E	98.5	Very high	98.8	Very high	16 Å²	16	5.5 Å²	5.5	8%	0.075	3%	0.029	C	C	.	.	H	α-helix	trans	-71.9	-22.6	-172.7	-177.1	55.8	-162.3	0	0	113.5	Q121 N127 S128 L129 P284	Q121-E125 VanDerWaalsContact NE2-CB 3.25Å; Q121-E125 WeakPolarHBondContact O-CB 3.47Å; Q121-E125 PolarHBondContact O-N 3.31Å; E125-N127 PolarHBondContact O-N 2.99Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 3.1Å; E125-S128 WeakPolarHBondContact OE1-CB 3.34Å; E125-S128 WeakPolarHBondContact OE2-CB 3.36Å; E125-S128 PolarHBondContact OE2-OG 3.27Å; E125-L129 PolarHBondContact O-N 3.11Å; E125-P284 WeakPolarHBondContact OE1-CB 3.4Å
126	A	98.6	Very high	98.7	Very high	7 Å²	7	7.7 Å²	7.7	6%	0.058	4%	0.042	C	C	.	.	H	α-helix	trans	-60.2	-23.5	170.4	0	0	0	0	0	112.9	T122 I124 G130 T194 N195	T122-A126 WeakPolarHBondContact O-CB 3.28Å; T122-A126 PolarHBondContact O-N 2.92Å; I124-A126 VanDerWaalsContact C-N 3.29Å; I124-A126 PolarHBondContact O-N 3.49Å; A126-G130 PolarHBondContact O-N 3.16Å; A126-T194 HydrophobicContact CB-CG2 3.47Å; A126-T194 VanDerWaalsContact CB-CG2 3.47Å; A126-N195 WeakPolarHBondContact CB-ND2 3.19Å
127	N	98.7	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.9	-52	168.1	-87.3	18.5	0	0	0	111.5	N89 I124 E125 L129 G130 Q131 M150 L155 M156 C157	N89-N127 WeakPolarHBondContact OD1-CB 3.45Å; N89-N127 PolarHBondContact OD1-ND2 2.96Å; I124-N127 VanDerWaalsContact O-CB 3.3Å; I124-N127 WeakPolarHBondContact O-CB 3.34Å; I124-N127 PolarHBondContact O-N 3.43Å; E125-N127 PolarHBondContact O-N 2.99Å; N127-L129 PolarHBondContact O-N 3.34Å; N127-G130 PolarHBondContact O-N 3.47Å; N127-G130 VanDerWaalsContact O-N 3.11Å; N127-Q131 VanDerWaalsContact O-CB 3.31Å; N127-Q131 WeakPolarHBondContact O-CB 3.35Å; N127-Q131 VanDerWaalsContact O-CD 3.27Å; N127-Q131 WeakPolarHBondContact O-CG 3.31Å; N127-Q131 PolarHBondContact O-N 3.48Å; N127-M150 WeakPolarHBondContact ND2-CE 3.5Å; N127-L155 PolarHBondContact ND2-O 3.28Å; N127-M156 WeakPolarHBondContact OD1-CA 3.36Å; N127-M156 WeakPolarHBondContact OD1-CE 3.07Å; N127-C157 PolarHBondContact O-SG 3.03Å; N127-C157 PolarHBondContact OD1-N 3.44Å
128	S	98.3	Very high	98.7	Very high	3 Å²	3	8.4 Å²	8.4	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-53.7	-42.4	176.4	-52.2	0	0	0	0	111	E125 Q131 M132	E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 3.1Å; E125-S128 WeakPolarHBondContact OE1-CB 3.34Å; E125-S128 WeakPolarHBondContact OE2-CB 3.36Å; E125-S128 PolarHBondContact OE2-OG 3.27Å; S128-Q131 PolarHBondContact O-N 3.35Å; S128-M132 WeakPolarHBondContact O-CB 3.34Å; S128-M132 PolarHBondContact O-N 3.2Å
129	L	98.6	Very high	98.7	Very high	25 Å²	25	12.1 Å²	12.1	13%	0.131	7%	0.068	C	C	.	.	H	α-helix	trans	-63.2	-45	177.2	-176.4	62.7	0	0	0	113.1	E125 N127 P133 Y159 T281 E402	E125-L129 PolarHBondContact O-N 3.11Å; N127-L129 PolarHBondContact O-N 3.34Å; L129-P133 VanDerWaalsContact O-CD 3.22Å; L129-P133 WeakPolarHBondContact O-CD 3.47Å; L129-Y159 HydrophobicContact CD1-CD1 4.34Å; L129-Y159 HydrophobicContact CD1-CD2 4.36Å; L129-Y159 HydrophobicContact CD1-CG 4.2Å; L129-Y159 HydrophobicContact CD2-CD1 4.11Å; L129-Y159 HydrophobicContact CD2-CG 4.09Å; L129-Y159 HydrophobicContact CG-CD1 4.13Å; L129-Y159 HydrophobicContact CG-CD2 4.18Å; L129-Y159 HydrophobicContact CG-CG 3.74Å; L129-Y159 WeakPolarHBondContact O-CD2 3.34Å; L129-T281 HydrophobicContact CD1-CG2 3.81Å; L129-E402 WeakPolarHBondContact CD2-OE1 3.49Å
130	G	98.7	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.2	-34.8	176.3	0	0	0	0	0	113.4	A126 N127 W201	A126-G130 PolarHBondContact O-N 3.16Å; N127-G130 PolarHBondContact O-N 3.47Å; N127-G130 VanDerWaalsContact O-N 3.11Å; G130-W201 VanDerWaalsContact O-CH2 3.28Å; G130-W201 WeakPolarHBondContact O-CH2 3.2Å; G130-W201 WeakPolarHBondContact O-CZ3 3.47Å
131	Q	98.9	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-72.7	-36.4	179.2	-70.9	159.9	13.8	0	0	112.9	N89 N127 S128 V134 I135 L147 W201	N89-Q131 PolarHBondContact OD1-NE2 3.05Å; N127-Q131 VanDerWaalsContact O-CB 3.31Å; N127-Q131 WeakPolarHBondContact O-CB 3.35Å; N127-Q131 VanDerWaalsContact O-CD 3.27Å; N127-Q131 WeakPolarHBondContact O-CG 3.31Å; N127-Q131 PolarHBondContact O-N 3.48Å; S128-Q131 PolarHBondContact O-N 3.35Å; Q131-V134 WeakPolarHBondContact O-CA 3.31Å; Q131-V134 WeakPolarHBondContact O-CB 3.46Å; Q131-V134 PolarHBondContact O-N 2.74Å; Q131-I135 HydrophobicContact CB-CD1 4Å; Q131-I135 WeakPolarHBondContact O-CG1 3.49Å; Q131-I135 PolarHBondContact O-N 3.47Å; Q131-L147 HydrophobicContact CB-CD2 3.94Å; Q131-L147 HydrophobicContact CG-CD2 3.84Å; Q131-W201 HydrophobicContact CG-CH2 4.24Å; Q131-W201 HydrophobicContact CG-CZ2 4.1Å
132	M	98.8	Very high	98.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-56.3	-44.6	-170.1	-166.4	60.2	62.8	0	0	114	H91 I103 S128 V134 I135 I136 A277 K280 T281	H91-M132 HydrophobicContact CB-CE 4.38Å; I103-M132 HydrophobicContact CD1-CE 4.2Å; S128-M132 WeakPolarHBondContact O-CB 3.34Å; S128-M132 PolarHBondContact O-N 3.2Å; M132-V134 VanDerWaalsContact C-N 3.29Å; M132-V134 PolarHBondContact O-N 2.93Å; M132-I135 PolarHBondContact O-N 3.48Å; M132-I136 HydrophobicContact CG-CG2 4.42Å; M132-I136 WeakPolarHBondContact O-CG1 3.38Å; M132-I136 PolarHBondContact O-N 3.5Å; M132-I136 HydrophobicContact SD-CG2 4.03Å; M132-A277 HydrophobicContact CB-CB 4.13Å; M132-A277 HydrophobicContact CG-CB 3.93Å; M132-K280 HydrophobicContact CE-CB 3.72Å; M132-K280 HydrophobicContact CE-CD 4.2Å; M132-K280 HydrophobicContact CG-CB 3.95Å; M132-K280 HydrophobicContact CG-CD 4.39Å; M132-K280 HydrophobicContact SD-CB 3.62Å; M132-K280 HydrophobicContact SD-CD 3.35Å; M132-K280 WeakPolarHBondContact SD-CD 3.44Å; M132-K280 HydrophobicContact SD-CG 4.1Å; M132-T281 HydrophobicContact CB-CG2 3.97Å; M132-T281 HydrophobicContact CG-CG2 4.11Å
133	P	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-53.9	-41.9	171.7	-30.1	38.3	0	0	0	114	L129 A137 Y159 F203 L264 I273 A277	L129-P133 VanDerWaalsContact O-CD 3.22Å; L129-P133 WeakPolarHBondContact O-CD 3.47Å; P133-A137 WeakPolarHBondContact O-CB 3.44Å; P133-A137 PolarHBondContact O-N 2.92Å; P133-Y159 HydrophobicContact CG-CD2 4.03Å; P133-Y159 HydrophobicContact CG-CE2 3.75Å; P133-F203 HydrophobicContact CB-CD2 3.35Å; P133-F203 HydrophobicContact CB-CE2 3.54Å; P133-F203 HydrophobicContact CB-CG 3.94Å; P133-F203 HydrophobicContact CB-CZ 4.26Å; P133-F203 HydrophobicContact CG-CB 4.26Å; P133-F203 HydrophobicContact CG-CD1 4.05Å; P133-F203 HydrophobicContact CG-CD2 3.64Å; P133-F203 HydrophobicContact CG-CE1 4.27Å; P133-F203 HydrophobicContact CG-CE2 3.89Å; P133-F203 HydrophobicContact CG-CG 3.7Å; P133-F203 HydrophobicContact CG-CZ 4.18Å; P133-L264 HydrophobicContact CB-CD1 3.9Å; P133-I273 HydrophobicContact CB-CG2 3.69Å; P133-A277 HydrophobicContact CG-CB 4.17Å
134	V	98.8	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.4	-37.7	-179.9	-173.5	0	0	0	0	110.9	Q131 M132 G138 K143 L147 W201 I224 L264	Q131-V134 WeakPolarHBondContact O-CA 3.31Å; Q131-V134 WeakPolarHBondContact O-CB 3.46Å; Q131-V134 PolarHBondContact O-N 2.74Å; M132-V134 VanDerWaalsContact C-N 3.29Å; M132-V134 PolarHBondContact O-N 2.93Å; V134-G138 WeakPolarHBondContact O-CA 3.43Å; V134-G138 PolarHBondContact O-N 3.3Å; V134-K143 HydrophobicContact CG1-CG 4.3Å; V134-K143 WeakPolarHBondContact O-CE 3.25Å; V134-L147 HydrophobicContact CB-CD2 4.16Å; V134-L147 HydrophobicContact CG1-CD1 4.28Å; V134-L147 HydrophobicContact CG1-CD2 4.2Å; V134-L147 HydrophobicContact CG1-CG 4.05Å; V134-W201 HydrophobicContact CG2-CH2 3.93Å; V134-W201 HydrophobicContact CG2-CZ3 4.03Å; V134-I224 HydrophobicContact CG1-CD1 4.04Å; V134-I224 HydrophobicContact CG2-CD1 3.67Å; V134-I224 HydrophobicContact CG2-CG1 3.9Å; V134-L264 HydrophobicContact CG2-CD2 4.45Å
135	I	98.7	Very high	98.6	Very high	22 Å²	22	33.1 Å²	33.1	11%	0.113	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-47.4	176.3	-68.3	167.7	0	0	0	110.6	H91 Q131 M132 K143 L147	H91-I135 HydrophobicContact CB-CD1 3.71Å; Q131-I135 HydrophobicContact CB-CD1 4Å; Q131-I135 WeakPolarHBondContact O-CG1 3.49Å; Q131-I135 PolarHBondContact O-N 3.47Å; M132-I135 PolarHBondContact O-N 3.48Å; I135-K143 WeakPolarHBondContact O-CE 3.41Å; I135-K143 PolarHBondContact O-NZ 3.3Å; I135-L147 HydrophobicContact CG1-CD1 3.67Å; I135-L147 HydrophobicContact CG1-CD2 4.32Å
136	I	98.2	Very high	98.6	Very high	65 Å²	65	32.3 Å²	32.3	33%	0.333	16%	0.16	S	C	.	.	H	α-helix	trans	-84.5	-23	-173.9	71.3	-177.1	0	0	0	114.2	M132 I273 A277 K280	M132-I136 HydrophobicContact CG-CG2 4.42Å; M132-I136 WeakPolarHBondContact O-CG1 3.38Å; M132-I136 PolarHBondContact O-N 3.5Å; M132-I136 HydrophobicContact SD-CG2 4.03Å; I136-I273 HydrophobicContact CD1-CG2 4.46Å; I136-A277 HydrophobicContact CD1-CB 4.33Å; I136-K280 HydrophobicContact CG2-CD 4.07Å
137	A	98.6	Very high	98.6	Very high	12 Å²	12	32 Å²	32	10%	0.099	16%	0.158	C	C	.	.	H	α-helix	trans	-131.6	-9.2	-169.1	0	0	0	0	0	114.5	P133 L264 I265 I273	P133-A137 WeakPolarHBondContact O-CB 3.44Å; P133-A137 PolarHBondContact O-N 2.92Å; A137-L264 HydrophobicContact CB-CB 4.41Å; A137-I265 HydrophobicContact CB-CD1 3.61Å; A137-I265 HydrophobicContact CB-CG1 3.84Å; A137-I265 WeakPolarHBondContact O-CG1 3.38Å; A137-I273 HydrophobicContact CB-CD1 3.81Å; A137-I273 HydrophobicContact CB-CG1 3.75Å; A137-I273 HydrophobicContact CB-CG2 3.97Å
138	G	98.6	Very high	98.6	Very high	8 Å²	8	32.3 Å²	32.3	8%	0.082	16%	0.161	C	C	.	.			trans	-74.9	144.5	179.5	0	0	0	0	0	112.7	V134 Q142 K143	V134-G138 WeakPolarHBondContact O-CA 3.43Å; V134-G138 PolarHBondContact O-N 3.3Å; G138-Q142 VanDerWaalsContact CA-OE1 3.26Å; G138-K143 WeakPolarHBondContact O-CE 3.48Å; G138-K143 PolarHBondContact O-NZ 3.07Å
139	N	98.6	Very high	98.6	Very high	79 Å²	79	34.3 Å²	34.3	42%	0.422	17%	0.168	S	C	.	.			trans	-76.9	171.7	166.1	66.5	43.7	0	0	0	111.2	F141 Q142 K143	N139-F141 VanDerWaalsContact C-N 3.28Å; N139-F141 PolarHBondContact O-N 3.21Å; N139-F141 WeakPolarHBondContact OD1-CB 3.42Å; N139-F141 PolarHBondContact OD1-N 3.4Å; N139-F141 VanDerWaalsContact OD1-N 3.13Å; N139-Q142 PolarHBondContact ND2-OE1 3.45Å; N139-Q142 PolarHBondContact O-N 2.97Å; N139-Q142 VanDerWaalsContact O-N 3.17Å; N139-Q142 WeakPolarHBondContact OD1-CG 3.23Å; N139-Q142 PolarHBondContact OD1-N 3.19Å; N139-K143 WeakPolarHBondContact O-CG 3.18Å; N139-K143 PolarHBondContact O-N 2.96Å
140	D	98.4	Very high	98.6	Very high	110 Å²	110	33.1 Å²	33.1	59%	0.588	16%	0.162	S	C	*	.	H	α-helix	trans	-58	-38.6	-176.1	-64.8	-1.3	0	0	0	113.2	K144	D140-K144 WeakPolarHBondContact O-CB 3.47Å; D140-K144 VanDerWaalsContact O-CG 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.09Å; D140-K144 PolarHBondContact O-N 3.38Å
141	F	98.3	Very high	98.6	Very high	101 Å²	101	35 Å²	35	44%	0.443	17%	0.174	S	C	.	.	H	α-helix	trans	-64.2	-49.1	177.2	168.1	-100.3	0	0	0	111.1	N139 K144 K145 E261	N139-F141 VanDerWaalsContact C-N 3.28Å; N139-F141 PolarHBondContact O-N 3.21Å; N139-F141 WeakPolarHBondContact OD1-CB 3.42Å; N139-F141 PolarHBondContact OD1-N 3.4Å; N139-F141 VanDerWaalsContact OD1-N 3.13Å; F141-K144 PolarHBondContact O-N 3.41Å; F141-K145 HydrophobicContact CE1-CD 4.05Å; F141-K145 HydrophobicContact CE2-CD 4.33Å; F141-K145 HydrophobicContact CZ-CD 3.72Å; F141-K145 WeakPolarHBondContact O-CB 3.34Å; F141-K145 PolarHBondContact O-N 3.39Å; F141-E261 HydrophobicContact CE1-CB 4.45Å; F141-E261 HydrophobicContact CE1-CG 4.25Å
142	Q	98.8	Very high	98.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-45.6	179	-70	165.5	-20.5	0	0	111.2	G138 N139 K145 Y146 I224 E261 V263	G138-Q142 VanDerWaalsContact CA-OE1 3.26Å; N139-Q142 PolarHBondContact ND2-OE1 3.45Å; N139-Q142 PolarHBondContact O-N 2.97Å; N139-Q142 VanDerWaalsContact O-N 3.17Å; N139-Q142 WeakPolarHBondContact OD1-CG 3.23Å; N139-Q142 PolarHBondContact OD1-N 3.19Å; Q142-K145 PolarHBondContact O-N 3.4Å; Q142-Y146 HydrophobicContact CB-CD2 4.5Å; Q142-Y146 WeakPolarHBondContact O-CB 3.39Å; Q142-Y146 VanDerWaalsContact O-CD2 3.32Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.1Å; Q142-Y146 PolarHBondContact O-N 3.31Å; Q142-I224 HydrophobicContact CB-CD1 4.07Å; Q142-I224 HydrophobicContact CG-CD1 4.26Å; Q142-E261 PolarHBondContact NE2-O 2.68Å; Q142-V263 PolarHBondContact NE2-O 2.76Å
143	K	98.8	Very high	98.6	Very high	47 Å²	47	47.1 Å²	47.1	20%	0.204	23%	0.23	C	C	.	.	I	π-helix	trans	-60.9	-52.8	178.5	-73.7	173.6	171.8	168.9	0	111.3	V134 I135 G138 N139 K145 L147 G148	V134-K143 HydrophobicContact CG1-CG 4.3Å; V134-K143 WeakPolarHBondContact O-CE 3.25Å; I135-K143 WeakPolarHBondContact O-CE 3.41Å; I135-K143 PolarHBondContact O-NZ 3.3Å; G138-K143 WeakPolarHBondContact O-CE 3.48Å; G138-K143 PolarHBondContact O-NZ 3.07Å; N139-K143 WeakPolarHBondContact O-CG 3.18Å; N139-K143 PolarHBondContact O-N 2.96Å; K143-K145 VanDerWaalsContact C-N 3.35Å; K143-K145 PolarHBondContact O-N 3.02Å; K143-L147 HydrophobicContact CB-CD1 4.15Å; K143-L147 HydrophobicContact CG-CD1 4.06Å; K143-L147 WeakPolarHBondContact O-CA 3.47Å; K143-L147 WeakPolarHBondContact O-CB 3.3Å; K143-L147 PolarHBondContact O-N 3.29Å; K143-G148 PolarHBondContact O-N 3.42Å
144	K	98.5	Very high	98.6	Very high	126 Å²	126	47.8 Å²	47.8	55%	0.548	24%	0.235	S	C	.	.	I	π-helix	trans	-59.8	-43.4	178.4	-71.6	176.7	-179.2	178.4	0	112.2	D140 F141 G148	D140-K144 WeakPolarHBondContact O-CB 3.47Å; D140-K144 VanDerWaalsContact O-CG 3.28Å; D140-K144 WeakPolarHBondContact O-CG 3.09Å; D140-K144 PolarHBondContact O-N 3.38Å; F141-K144 PolarHBondContact O-N 3.41Å; K144-G148 WeakPolarHBondContact O-CA 3.25Å; K144-G148 PolarHBondContact O-N 2.91Å
145	K	98.7	Very high	98.6	Very high	70 Å²	70	50.3 Å²	50.3	30%	0.304	25%	0.248	S	C	.	.	I	π-helix	trans	-69.2	-46.1	-178.3	179.7	175.8	175.5	-173.9	0	113.3	F141 Q142 K143 R149 E261	F141-K145 HydrophobicContact CE1-CD 4.05Å; F141-K145 HydrophobicContact CE2-CD 4.33Å; F141-K145 HydrophobicContact CZ-CD 3.72Å; F141-K145 WeakPolarHBondContact O-CB 3.34Å; F141-K145 PolarHBondContact O-N 3.39Å; Q142-K145 PolarHBondContact O-N 3.4Å; K143-K145 VanDerWaalsContact C-N 3.35Å; K143-K145 PolarHBondContact O-N 3.02Å; K145-R149 PolarHBondContact O-NE 3.23Å; K145-E261 IonicContact NZ-OE1 3.39Å
146	Y	98.8	Very high	98.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-99.6	-30.4	-170.2	-66.9	-79.2	0	0	0	114	Q142 R149 M150 W201 I224 D226 N262	Q142-Y146 HydrophobicContact CB-CD2 4.5Å; Q142-Y146 WeakPolarHBondContact O-CB 3.39Å; Q142-Y146 VanDerWaalsContact O-CD2 3.32Å; Q142-Y146 WeakPolarHBondContact O-CD2 3.1Å; Q142-Y146 PolarHBondContact O-N 3.31Å; Y146-R149 WeakPolarHBondContact O-CG 3.39Å; Y146-M150 WeakPolarHBondContact O-CG 3.48Å; Y146-W201 HydrophobicContact CD1-CB 4.33Å; Y146-W201 HydrophobicContact CD1-CD2 4.25Å; Y146-W201 AromaticContact CD1-CG 3.99Å; Y146-W201 HydrophobicContact CD1-CG 3.99Å; Y146-W201 PolarHBondContact O-NE1 3.05Å; Y146-I224 HydrophobicContact CD1-CG2 3.41Å; Y146-I224 VanDerWaalsContact CD1-CG2 3.41Å; Y146-I224 HydrophobicContact CD2-CB 4.39Å; Y146-I224 HydrophobicContact CD2-CD1 3.43Å; Y146-I224 VanDerWaalsContact CD2-CD1 3.43Å; Y146-I224 HydrophobicContact CD2-CG1 4.49Å; Y146-I224 HydrophobicContact CD2-CG2 3.9Å; Y146-I224 HydrophobicContact CE1-CB 4.38Å; Y146-I224 HydrophobicContact CE1-CG2 3.37Å; Y146-I224 HydrophobicContact CE2-CB 4.15Å; Y146-I224 HydrophobicContact CE2-CD1 3.78Å; Y146-I224 HydrophobicContact CE2-CG2 3.87Å; Y146-I224 HydrophobicContact CG-CD1 4Å; Y146-I224 HydrophobicContact CG-CG2 3.69Å; Y146-D226 WeakPolarHBondContact CE1-OD1 3.41Å; Y146-D226 PolarHBondContact OH-OD2 3.28Å; Y146-N262 PolarHBondContact OH-ND2 2.86Å; Y146-N262 PolarHBondContact OH-OD1 3.47Å
147	L	98.8	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-85.9	-40.4	173.8	-52.7	178.9	0	0	0	110.9	I92 C96 Q131 V134 I135 K143 R149 M150	I92-L147 HydrophobicContact CD1-CB 4.16Å; I92-L147 HydrophobicContact CG1-CB 4.32Å; I92-L147 HydrophobicContact CG2-CB 3.94Å; C96-L147 HydrophobicContact CB-CB 4.24Å; Q131-L147 HydrophobicContact CB-CD2 3.94Å; Q131-L147 HydrophobicContact CG-CD2 3.84Å; V134-L147 HydrophobicContact CB-CD2 4.16Å; V134-L147 HydrophobicContact CG1-CD1 4.28Å; V134-L147 HydrophobicContact CG1-CD2 4.2Å; V134-L147 HydrophobicContact CG1-CG 4.05Å; I135-L147 HydrophobicContact CG1-CD1 3.67Å; I135-L147 HydrophobicContact CG1-CD2 4.32Å; K143-L147 HydrophobicContact CB-CD1 4.15Å; K143-L147 HydrophobicContact CG-CD1 4.06Å; K143-L147 WeakPolarHBondContact O-CA 3.47Å; K143-L147 WeakPolarHBondContact O-CB 3.3Å; K143-L147 PolarHBondContact O-N 3.29Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.05Å; L147-M150 VanDerWaalsContact O-CB 3.28Å; L147-M150 WeakPolarHBondContact O-CB 3.17Å; L147-M150 PolarHBondContact O-N 3.05Å
148	G	98.6	Very high	98.6	Very high	7 Å²	7	45.9 Å²	45.9	7%	0.072	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-43.9	178.9	0	0	0	0	0	113.3	K143 K144 M150 T151 E152	K143-G148 PolarHBondContact O-N 3.42Å; K144-G148 WeakPolarHBondContact O-CA 3.25Å; K144-G148 PolarHBondContact O-N 2.91Å; G148-M150 PolarHBondContact O-N 3.02Å; G148-T151 PolarHBondContact O-N 3.29Å; G148-T151 PolarHBondContact O-OG1 3.38Å; G148-E152 WeakPolarHBondContact O-CG 3.46Å; G148-E152 PolarHBondContact O-N 2.86Å
149	R	98.6	Very high	98.6	Very high	44 Å²	44	46.5 Å²	46.5	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-22.1	176.7	71.3	174	87.1	171.6	5	114.2	K145 Y146 L147 T151 E153 L155 N200 D226	K145-R149 PolarHBondContact O-NE 3.23Å; Y146-R149 WeakPolarHBondContact O-CG 3.39Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-R149 PolarHBondContact O-N 3.05Å; R149-T151 VanDerWaalsContact C-N 3.35Å; R149-E153 PolarHBondContact O-N 2.79Å; R149-L155 HydrophobicContact CB-CD1 4.21Å; R149-L155 HydrophobicContact CG-CD1 4.11Å; R149-N200 WeakPolarHBondContact CD-OD1 3.3Å; R149-N200 PolarHBondContact NH1-OD1 3.21Å; R149-D226 IonicContact CZ-OD1 3.88Å; R149-D226 IonicContact NH1-OD1 3.64Å; R149-D226 PolarHBondContact NH1-OD1 3.21Å; R149-D226 IonicContact NH2-OD1 2.89Å; R149-D226 PolarHBondContact NH2-OD1 3.04Å
150	M	98.7	Very high	98.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-81.5	-17.3	178.6	-48	-62.8	-71.4	0	0	112.4	W83 N89 I92 N127 Y146 L147 G148 E153 L155 C157 W201	W83-M150 PolarHBondContact NE1-O 3.28Å; N89-M150 PolarHBondContact ND2-O 3.22Å; I92-M150 HydrophobicContact CD1-CB 3.71Å; I92-M150 HydrophobicContact CD1-CG 4.38Å; N127-M150 WeakPolarHBondContact ND2-CE 3.5Å; Y146-M150 WeakPolarHBondContact O-CG 3.48Å; L147-M150 VanDerWaalsContact O-CB 3.28Å; L147-M150 WeakPolarHBondContact O-CB 3.17Å; L147-M150 PolarHBondContact O-N 3.05Å; G148-M150 PolarHBondContact O-N 3.02Å; M150-E153 CarbonylContact C-O 3.54Å; M150-L155 HydrophobicContact CE-CB 4.16Å; M150-L155 WeakPolarHBondContact CE-O 3.18Å; M150-L155 HydrophobicContact SD-CB 3.82Å; M150-C157 HydrophobicContact CE-CB 3.94Å; M150-W201 HydrophobicContact SD-CZ2 4.48Å; M150-W201 PolarHBondContact SD-NE1 2.86Å
151	T	98.3	Very high	98.6	Very high	41 Å²	41	37.8 Å²	37.8	25%	0.252	18%	0.177	S	C	.	.	H	α-helix	trans	-94.6	-18.6	175.4	66.6	0	0	0	0	111.6	W83 I92 C96 G148 R149	W83-T151 WeakPolarHBondContact CZ2-O 3.49Å; I92-T151 HydrophobicContact CB-CG2 4.26Å; I92-T151 HydrophobicContact CD1-CG2 3.81Å; I92-T151 HydrophobicContact CG2-CG2 3.76Å; C96-T151 PolarHBondContact O-OG1 2.73Å; G148-T151 PolarHBondContact O-N 3.29Å; G148-T151 PolarHBondContact O-OG1 3.38Å; R149-T151 VanDerWaalsContact C-N 3.35Å
152	E	98.3	Very high	98.6	Very high	138 Å²	138	35.2 Å²	35.2	65%	0.645	17%	0.17	S	C	*	.	H	α-helix	trans	-82.1	-39.9	176.3	-68.4	170.7	-178.9	0	0	112.9	G148	G148-E152 WeakPolarHBondContact O-CG 3.46Å; G148-E152 PolarHBondContact O-N 2.86Å
153	E	98.4	Very high	98.6	Very high	117 Å²	117	35.8 Å²	35.8	55%	0.547	17%	0.172	S	C	.	.	S	Bend	trans	-137.4	155.4	-177.9	-68.9	-68.5	159.3	0	0	110.1	W83 R149 M150 L155	W83-E153 PolarHBondContact NE1-O 3.48Å; R149-E153 PolarHBondContact O-N 2.79Å; M150-E153 CarbonylContact C-O 3.54Å; E153-L155 HydrophobicContact CB-CD1 4.49Å; E153-L155 HydrophobicContact CB-CD2 4.46Å; E153-L155 HydrophobicContact CB-CG 3.96Å; E153-L155 PolarHBondContact O-N 2.94Å
154	P	98.4	Very high	98.6	Very high	15 Å²	15	37.3 Å²	37.3	10%	0.097	19%	0.187	C	C	.	.			trans	-75.6	54	178.6	34.1	-38.2	0	0	0	111.7	F76 K80 W83	F76-P154 HydrophobicContact CZ-CG 4.2Å; K80-P154 HydrophobicContact CG-CB 4.46Å; K80-P154 HydrophobicContact CG-CG 4.17Å; W83-P154 HydrophobicContact CB-CB 3.97Å; W83-P154 HydrophobicContact CD2-CB 3.83Å; W83-P154 HydrophobicContact CE3-CB 4.17Å; W83-P154 HydrophobicContact CG-CB 3.74Å
155	L	98.9	Very high	98.5	Very high	53 Å²	53	35 Å²	35	28%	0.277	20%	0.2	S	C	.	.			trans	-73.9	153.7	177.8	-63.5	178.4	0	0	0	110.7	N127 R149 M150 E153 N200	N127-L155 PolarHBondContact ND2-O 3.28Å; R149-L155 HydrophobicContact CB-CD1 4.21Å; R149-L155 HydrophobicContact CG-CD1 4.11Å; M150-L155 HydrophobicContact CE-CB 4.16Å; M150-L155 WeakPolarHBondContact CE-O 3.18Å; M150-L155 HydrophobicContact SD-CB 3.82Å; E153-L155 HydrophobicContact CB-CD1 4.49Å; E153-L155 HydrophobicContact CB-CD2 4.46Å; E153-L155 HydrophobicContact CB-CG 3.96Å; E153-L155 PolarHBondContact O-N 2.94Å; L155-N200 HydrophobicContact CB-CB 4.26Å; L155-N200 HydrophobicContact CD1-CB 4.25Å; L155-N200 HydrophobicContact CD2-CB 4.41Å
156	M	98.9	Very high	98.3	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	154.7	173.6	-48.8	-53.5	-66.7	0	0	110.4	Y74 I79 M88 A123 N127 N195 K198 A199 N200	Y74-M156 WeakPolarHBondContact OH-CE 3.22Å; I79-M156 HydrophobicContact CD1-CE 4.46Å; I79-M156 HydrophobicContact CG2-CE 4.05Å; I79-M156 HydrophobicContact CG2-SD 3.61Å; M88-M156 HydrophobicContact CE-CE 3.89Å; M88-M156 HydrophobicContact CE-SD 4.13Å; A123-M156 WeakPolarHBondContact O-CE 3.37Å; N127-M156 WeakPolarHBondContact OD1-CA 3.36Å; N127-M156 WeakPolarHBondContact OD1-CE 3.07Å; M156-N195 HydrophobicContact CB-CB 4.44Å; M156-N195 WeakPolarHBondContact CE-ND2 3.17Å; M156-K198 HydrophobicContact CB-CB 4.47Å; M156-K198 HydrophobicContact CG-CB 4.43Å; M156-A199 CarbonylContact O-C 3.57Å; M156-A199 WeakPolarHBondContact O-CA 3.45Å; M156-N200 PolarHBondContact O-N 2.8Å
157	C	98.9	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	170.6	166.3	64.5	0	0	0	0	109.9	N127 M150 N195 W201	N127-C157 PolarHBondContact O-SG 3.03Å; N127-C157 PolarHBondContact OD1-N 3.44Å; M150-C157 HydrophobicContact CE-CB 3.94Å; C157-N195 PolarHBondContact O-ND2 3.21Å; C157-W201 VanDerWaalsContact CA-O 3.31Å; C157-W201 WeakPolarHBondContact CA-O 3.45Å; C157-W201 HydrophobicContact CB-CD2 3.7Å; C157-W201 VanDerWaalsContact CB-CE2 3.46Å; C157-W201 HydrophobicContact CB-CE3 4.04Å; C157-W201 HydrophobicContact CB-CG 4.26Å; C157-W201 HydrophobicContact CB-CH2 3.99Å; C157-W201 HydrophobicContact CB-CZ2 3.63Å; C157-W201 HydrophobicContact CB-CZ3 4.18Å; C157-W201 VanDerWaalsContact CB-O 3.32Å; C157-W201 WeakPolarHBondContact CB-O 3.29Å
158	A	98.9	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.1	-175.7	0	0	0	0	0	112.8	I193 T194 N195 A199 W201 Y202 F203	A158-I193 HydrophobicContact CB-CG2 3.8Å; A158-T194 WeakPolarHBondContact CB-O 3.4Å; A158-N195 HydrophobicContact CB-CB 4.28Å; A158-A199 HydrophobicContact CB-CB 3.78Å; A158-W201 PolarHBondContact N-O 3.49Å; A158-Y202 HydrophobicContact CB-CD1 3.65Å; A158-Y202 HydrophobicContact CB-CE1 3.9Å; A158-Y202 CarbonylContact O-C 3.49Å; A158-Y202 WeakPolarHBondContact O-CA 3.41Å; A158-F203 PolarHBondContact O-N 3.44Å
159	Y	98.8	Very high	97.7	Very high	20 Å²	20	41.4 Å²	41.4	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	103	-175.4	-177.6	-94.5	0	0	0	110.9	L129 P133 V161 F203 A274 F278	L129-Y159 HydrophobicContact CD1-CD1 4.34Å; L129-Y159 HydrophobicContact CD1-CD2 4.36Å; L129-Y159 HydrophobicContact CD1-CG 4.2Å; L129-Y159 HydrophobicContact CD2-CD1 4.11Å; L129-Y159 HydrophobicContact CD2-CG 4.09Å; L129-Y159 HydrophobicContact CG-CD1 4.13Å; L129-Y159 HydrophobicContact CG-CD2 4.18Å; L129-Y159 HydrophobicContact CG-CG 3.74Å; L129-Y159 WeakPolarHBondContact O-CD2 3.34Å; P133-Y159 HydrophobicContact CG-CD2 4.03Å; P133-Y159 HydrophobicContact CG-CE2 3.75Å; Y159-V161 HydrophobicContact CD1-CB 4.16Å; Y159-V161 HydrophobicContact CD1-CG2 3.78Å; Y159-V161 HydrophobicContact CE1-CB 3.63Å; Y159-V161 HydrophobicContact CE1-CG2 3.1Å; Y159-V161 HydrophobicContact CE2-CG2 4.13Å; Y159-V161 PolarHBondContact O-N 3.36Å; Y159-V161 WeakPolarHBondContact OH-CG2 3.19Å; Y159-F203 HydrophobicContact CD2-CB 4.16Å; Y159-F203 AromaticContact CD2-CD1 3.17Å; Y159-F203 HydrophobicContact CD2-CD1 3.17Å; Y159-F203 AromaticContact CD2-CE1 3.76Å; Y159-F203 HydrophobicContact CD2-CE1 3.76Å; Y159-F203 AromaticContact CD2-CG 3.92Å; Y159-F203 HydrophobicContact CD2-CG 3.92Å; Y159-F203 AromaticContact CE2-CD1 3.14Å; Y159-F203 HydrophobicContact CE2-CD1 3.14Å; Y159-F203 AromaticContact CE2-CE1 3.17Å; Y159-F203 HydrophobicContact CE2-CE1 3.17Å; Y159-F203 HydrophobicContact CE2-CG 4.08Å; Y159-F203 HydrophobicContact CE2-CZ 4.15Å; Y159-F203 AromaticContact CG-CD1 3.99Å; Y159-F203 HydrophobicContact CG-CD1 3.99Å; Y159-F203 AromaticContact CZ-CD1 3.99Å; Y159-F203 AromaticContact CZ-CE1 3.69Å; Y159-A274 WeakPolarHBondContact OH-CA 3.37Å; Y159-A274 VanDerWaalsContact OH-CB 3.29Å; Y159-A274 WeakPolarHBondContact OH-CB 3.44Å; Y159-F278 HydrophobicContact CE1-CZ 4.28Å
160	G	98.3	Very high	97.4	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	84.5	-175.4	0	0	0	0	0	113.4	K190 F203 L205	G160-K190 WeakPolarHBondContact O-CE 3.33Å; G160-F203 WeakPolarHBondContact CA-O 3.45Å; G160-F203 PolarHBondContact N-O 3.16Å; G160-L205 PolarHBondContact O-N 3.37Å; G160-L205 VanDerWaalsContact O-N 3.08Å
161	V	98.4	Very high	97.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	26%	0.26	C	S	.	.			trans	-116.7	-58.3	175.2	172.2	0	0	0	0	112.4	Y159 V170 L173 K190 F203 L205	Y159-V161 HydrophobicContact CD1-CB 4.16Å; Y159-V161 HydrophobicContact CD1-CG2 3.78Å; Y159-V161 HydrophobicContact CE1-CB 3.63Å; Y159-V161 HydrophobicContact CE1-CG2 3.1Å; Y159-V161 HydrophobicContact CE2-CG2 4.13Å; Y159-V161 PolarHBondContact O-N 3.36Å; Y159-V161 WeakPolarHBondContact OH-CG2 3.19Å; V161-V170 HydrophobicContact CG1-CG1 4.01Å; V161-V170 HydrophobicContact CG1-CG2 4.22Å; V161-L173 HydrophobicContact CG1-CD1 3.93Å; V161-L173 WeakPolarHBondContact O-CD2 3.12Å; V161-K190 WeakPolarHBondContact O-CD 3.49Å; V161-K190 PolarHBondContact O-NZ 2.87Å; V161-F203 HydrophobicContact CG2-CD1 4.39Å; V161-F203 HydrophobicContact CG2-CE1 3.82Å; V161-L205 HydrophobicContact CG1-CD2 4.23Å; V161-L205 HydrophobicContact CG2-CB 3.8Å; V161-L205 HydrophobicContact CG2-CD2 4.28Å
162	T	98.5	Very high	97	Very high	47 Å²	47	40.5 Å²	40.5	29%	0.288	26%	0.256	S	S	.	.			trans	-60.9	143.1	-174.1	-59.8	0	0	0	0	112.3	K190 M191	T162-K190 CarbonylContact O-C 3.5Å; T162-K190 VanDerWaalsContact O-CA 3.24Å; T162-K190 WeakPolarHBondContact O-CA 3.48Å; T162-K190 WeakPolarHBondContact O-CD 3.34Å; T162-M191 WeakPolarHBondContact CB-O 3.48Å; T162-M191 PolarHBondContact O-N 2.84Å
163	E	98.8	Very high	96.9	Very high	14 Å²	14	34 Å²	34	7%	0.065	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-125	161	178.7	-68.6	178.8	-175.6	0	0	110	G165 A166 L173 K174 T175 Q189 K190	E163-G165 PolarHBondContact O-N 2.97Å; E163-G165 VanDerWaalsContact O-N 3.13Å; E163-A166 PolarHBondContact N-O 3.39Å; E163-A166 CarbonylContact O-C 3.58Å; E163-A166 PolarHBondContact O-N 2.94Å; E163-A166 VanDerWaalsContact O-N 3.07Å; E163-A166 VanDerWaalsContact O-O 3.14Å; E163-L173 HydrophobicContact CB-CD2 3.97Å; E163-L173 VanDerWaalsContact CD-CD2 3.5Å; E163-L173 HydrophobicContact CG-CD2 3.55Å; E163-L173 WeakPolarHBondContact OE2-CA 3.28Å; E163-K174 PolarHBondContact OE1-N 3.21Å; E163-K174 PolarHBondContact OE2-N 3.17Å; E163-T175 WeakPolarHBondContact OE1-CB 3.26Å; E163-T175 PolarHBondContact OE1-N 3.37Å; E163-T175 PolarHBondContact OE1-OG1 3.09Å; E163-Q189 VanDerWaalsContact CG-O 3.29Å; E163-Q189 WeakPolarHBondContact CG-O 3.15Å; E163-K190 HydrophobicContact CG-CD 3.73Å; E163-K190 IonicContact OE1-NZ 3.39Å; E163-K190 PolarHBondContact OE1-NZ 3.08Å
164	P	98	Very high	96.8	Very high	79 Å²	79	34.8 Å²	34.8	51%	0.513	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.2	177.4	-26.5	33.9	0	0	0	113.6	Q189 M191	P164-Q189 VanDerWaalsContact CD-O 3.31Å; P164-Q189 WeakPolarHBondContact CD-O 3.16Å; P164-Q189 HydrophobicContact CG-CG 4.22Å; P164-M191 HydrophobicContact CG-CB 4.01Å
165	G	96.4	Very high	96.8	Very high	79 Å²	79	34.1 Å²	34.1	81%	0.814	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.5	-179.6	0	0	0	0	0	115.6	E163	E163-G165 PolarHBondContact O-N 2.97Å; E163-G165 VanDerWaalsContact O-N 3.13Å
166	A	95.3	Very high	96.8	Very high	10 Å²	10	38.2 Å²	38.2	8%	0.083	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-155.9	115.8	-172.2	0	0	0	0	0	112.7	E163 L173	E163-A166 PolarHBondContact N-O 3.39Å; E163-A166 CarbonylContact O-C 3.58Å; E163-A166 PolarHBondContact O-N 2.94Å; E163-A166 VanDerWaalsContact O-N 3.07Å; E163-A166 VanDerWaalsContact O-O 3.14Å; A166-L173 HydrophobicContact CB-CD2 3.91Å
167	G	94.9	Very high	96.8	Very high	35 Å²	35	38 Å²	38	36%	0.361	23%	0.234	S	C	.	.	S	Bend	trans	-119.7	-72.2	171.9	0	0	0	0	0	111.9	D169	G167-D169 VanDerWaalsContact C-N 3.28Å; G167-D169 PolarHBondContact O-N 3.02Å
168	S	93.9	Very high	96.8	Very high	68 Å²	68	43.6 Å²	43.6	48%	0.476	26%	0.26	S	S	.	.	S	Bend	trans	-59.5	-38.1	175.8	-63.4	0	0	0	0	113	V170	S168-V170 PolarHBondContact O-N 3.5Å
169	D	94.4	Very high	96.7	Very high	98 Å²	98	49.4 Å²	49.4	52%	0.524	29%	0.285	S	S	.	.			trans	-89	76.2	175.5	-178.2	17.9	0	0	0	111.1	G167 A171 G172	G167-D169 VanDerWaalsContact C-N 3.28Å; G167-D169 PolarHBondContact O-N 3.02Å; D169-A171 PolarHBondContact O-N 3.48Å; D169-A171 WeakPolarHBondContact OD1-CB 3.45Å; D169-A171 PolarHBondContact OD1-N 2.85Å; D169-G172 PolarHBondContact O-N 2.94Å; D169-G172 PolarHBondContact OD1-N 2.95Å
170	V	92.2	Very high	96.7	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-60.7	-22.8	176.4	178.8	0	0	0	0	111.9	V161 S168 G172 L173 L205 F271 M275	V161-V170 HydrophobicContact CG1-CG1 4.01Å; V161-V170 HydrophobicContact CG1-CG2 4.22Å; S168-V170 PolarHBondContact O-N 3.5Å; V170-G172 VanDerWaalsContact C-N 3.26Å; V170-G172 PolarHBondContact O-N 3.09Å; V170-L173 HydrophobicContact CG1-CD1 3.83Å; V170-L173 VanDerWaalsContact O-CD1 3.28Å; V170-L173 WeakPolarHBondContact O-CD1 3.49Å; V170-L173 WeakPolarHBondContact O-CG 3.33Å; V170-L205 HydrophobicContact CG1-CD2 3.82Å; V170-F271 HydrophobicContact CB-CE2 4.09Å; V170-F271 HydrophobicContact CG1-CD2 4.09Å; V170-F271 HydrophobicContact CG1-CE2 3.84Å; V170-M275 HydrophobicContact CG1-CE 4.35Å; V170-M275 HydrophobicContact CG2-CE 4.45Å
171	A	93.5	Very high	96.6	Very high	30 Å²	30	56.1 Å²	56.1	25%	0.248	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-74.1	-19.6	175.3	0	0	0	0	0	112.7	D169 L173 T216 F220	D169-A171 PolarHBondContact O-N 3.48Å; D169-A171 WeakPolarHBondContact OD1-CB 3.45Å; D169-A171 PolarHBondContact OD1-N 2.85Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-T216 HydrophobicContact CB-CG2 3.55Å; A171-F220 WeakPolarHBondContact O-CZ 3.47Å
172	G	94.8	Very high	96.5	Very high	16 Å²	16	60.9 Å²	60.9	17%	0.165	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-80.3	-7.8	-179.6	0	0	0	0	0	115.3	D169 V170 K174	D169-G172 PolarHBondContact O-N 2.94Å; D169-G172 PolarHBondContact OD1-N 2.95Å; V170-G172 VanDerWaalsContact C-N 3.26Å; V170-G172 PolarHBondContact O-N 3.09Å; G172-K174 WeakPolarHBondContact O-CD 3.23Å; G172-K174 WeakPolarHBondContact O-CE 3.36Å; G172-K174 PolarHBondContact O-NZ 2.77Å
173	L	96	Very high	96.4	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	36%	0.359	C	S	.	.			trans	-55.7	142.9	-176.2	-61.8	173.6	0	0	0	113	V161 E163 A166 V170 A171 L205 F220	V161-L173 HydrophobicContact CG1-CD1 3.93Å; V161-L173 WeakPolarHBondContact O-CD2 3.12Å; E163-L173 HydrophobicContact CB-CD2 3.97Å; E163-L173 VanDerWaalsContact CD-CD2 3.5Å; E163-L173 HydrophobicContact CG-CD2 3.55Å; E163-L173 WeakPolarHBondContact OE2-CA 3.28Å; A166-L173 HydrophobicContact CB-CD2 3.91Å; V170-L173 HydrophobicContact CG1-CD1 3.83Å; V170-L173 VanDerWaalsContact O-CD1 3.28Å; V170-L173 WeakPolarHBondContact O-CD1 3.49Å; V170-L173 WeakPolarHBondContact O-CG 3.33Å; A171-L173 VanDerWaalsContact C-N 3.34Å; L173-L205 HydrophobicContact CD1-CD2 3.87Å; L173-L205 HydrophobicContact CD1-CG 4.49Å; L173-F220 HydrophobicContact CB-CE1 3.87Å; L173-F220 HydrophobicContact CB-CZ 4.41Å
174	K	97.3	Very high	96.4	Very high	135 Å²	135	61.6 Å²	61.6	59%	0.587	36%	0.357	S	S	*	.			trans	-119.7	-10.3	-171.4	-57.9	-53.9	-177.6	-161	0	114.4	E163 G172 R176	E163-K174 PolarHBondContact OE1-N 3.21Å; E163-K174 PolarHBondContact OE2-N 3.17Å; G172-K174 WeakPolarHBondContact O-CD 3.23Å; G172-K174 WeakPolarHBondContact O-CE 3.36Å; G172-K174 PolarHBondContact O-NZ 2.77Å; K174-R176 WeakPolarHBondContact O-CG 3.39Å; K174-R176 PolarHBondContact O-N 2.82Å
175	T	98.6	Very high	96.5	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.006	34%	0.335	C	S	.	.			trans	-57.5	124.5	170.6	-58.3	0	0	0	0	108.8	E163 V186 N187 K190 A206 R207	E163-T175 WeakPolarHBondContact OE1-CB 3.26Å; E163-T175 PolarHBondContact OE1-N 3.37Å; E163-T175 PolarHBondContact OE1-OG1 3.09Å; T175-V186 HydrophobicContact CG2-CG1 3.73Å; T175-N187 WeakPolarHBondContact CA-O 3.3Å; T175-K190 WeakPolarHBondContact OG1-CE 3.35Å; T175-K190 PolarHBondContact OG1-NZ 3.35Å; T175-A206 HydrophobicContact CG2-CB 4.01Å; T175-R207 PolarHBondContact O-N 3.16Å
176	R	98.3	Very high	96.6	Very high	138 Å²	138	54.4 Å²	54.4	52%	0.521	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	145.1	-174.5	-66.5	174	-172.5	-88	2.3	110.4	K174 V186 N187 R207	K174-R176 WeakPolarHBondContact O-CG 3.39Å; K174-R176 PolarHBondContact O-N 2.82Å; R176-V186 VanDerWaalsContact O-CA 3.25Å; R176-V186 WeakPolarHBondContact O-CA 3.4Å; R176-N187 PolarHBondContact N-O 2.83Å; R176-N187 PolarHBondContact O-N 3.44Å; R176-R207 WeakPolarHBondContact CA-O 3.42Å
177	A	98.7	Very high	96.7	Very high	3 Å²	3	57 Å²	57	3%	0.025	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	114	169.3	0	0	0	0	0	108.8	Y184 V185 V186 A206 R207 T208 F223	A177-Y184 HydrophobicContact CB-CD1 4.21Å; A177-V185 WeakPolarHBondContact CA-O 3.47Å; A177-V186 HydrophobicContact CB-CG2 3.84Å; A177-A206 HydrophobicContact CB-CB 3.83Å; A177-R207 PolarHBondContact N-O 2.77Å; A177-T208 HydrophobicContact CB-CG2 3.78Å; A177-F223 HydrophobicContact CB-CE2 3.77Å; A177-F223 HydrophobicContact CB-CZ 3.67Å
178	E	98.4	Very high	96.9	Very high	116 Å²	116	56.5 Å²	56.5	54%	0.542	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.5	179.3	-173.6	-170.1	174.5	0	0	109.7	K180 Y184 V185	E178-K180 PolarHBondContact O-N 2.91Å; E178-K180 WeakPolarHBondContact OE2-CE 3.47Å; E178-K180 IonicContact OE2-NZ 3.02Å; E178-K180 PolarHBondContact OE2-NZ 3.49Å; E178-Y184 CarbonylContact O-C 3.55Å; E178-Y184 VanDerWaalsContact O-CA 3.32Å; E178-Y184 WeakPolarHBondContact O-CA 3.44Å; E178-V185 PolarHBondContact N-O 2.77Å; E178-V185 PolarHBondContact O-N 3.05Å
179	K	98.1	Very high	97.2	Very high	122 Å²	122	57.6 Å²	57.6	53%	0.53	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.7	176.9	-167.3	176.4	-174.1	173.6	0	110.6	Y184	K179-Y184 HydrophobicContact CB-CD1 4.06Å; K179-Y184 HydrophobicContact CB-CE1 3.72Å; K179-Y184 HydrophobicContact CD-CE1 4.42Å; K179-Y184 HydrophobicContact CG-CE1 4.09Å; K179-Y184 HydrophobicContact CG-CE2 4.31Å
180	K	97.4	Very high	97.4	Very high	100 Å²	100	53 Å²	53	44%	0.435	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	95.9	175.3	-63.5	-166.2	-173.9	172.6	0	109.8	E178 D182 E183 V185	E178-K180 PolarHBondContact O-N 2.91Å; E178-K180 WeakPolarHBondContact OE2-CE 3.47Å; E178-K180 IonicContact OE2-NZ 3.02Å; E178-K180 PolarHBondContact OE2-NZ 3.49Å; K180-D182 PolarHBondContact O-N 3.42Å; K180-E183 CarbonylContact C-O 3.59Å; K180-E183 PolarHBondContact N-O 3.23Å; K180-E183 PolarHBondContact O-N 2.88Å; K180-V185 HydrophobicContact CB-CG2 4.34Å; K180-V185 HydrophobicContact CD-CB 4.39Å; K180-V185 HydrophobicContact CD-CG2 3.71Å; K180-V185 HydrophobicContact CG-CG2 4.11Å
181	G	96	Very high	97.7	Very high	63 Å²	63	53.3 Å²	53.3	65%	0.649	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	-117.9	-174.7	0	0	0	0	0	111.4
182	D	96.1	Very high	97.9	Very high	104 Å²	104	58 Å²	58	56%	0.556	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	7.4	-178.6	-76	-30.6	0	0	0	114.2	K180 K260	K180-D182 PolarHBondContact O-N 3.42Å; D182-K260 HydrophobicContact CB-CD 4.14Å; D182-K260 VanDerWaalsContact CG-NZ 3.27Å; D182-K260 VanDerWaalsContact O-CB 3.28Å; D182-K260 WeakPolarHBondContact O-CB 3.2Å; D182-K260 WeakPolarHBondContact O-CG 3.28Å; D182-K260 PolarHBondContact O-N 2.9Å; D182-K260 WeakPolarHBondContact OD1-CE 3.1Å; D182-K260 IonicContact OD1-NZ 2.71Å; D182-K260 PolarHBondContact OD1-NZ 2.84Å; D182-K260 IonicContact OD2-NZ 3.57Å
183	E	97.9	Very high	98.1	Very high	66 Å²	66	57.4 Å²	57.4	31%	0.308	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	165.7	179.4	-58.6	-178.8	156.8	0	0	111.2	K180 R257 I258	K180-E183 CarbonylContact C-O 3.59Å; K180-E183 PolarHBondContact N-O 3.23Å; K180-E183 PolarHBondContact O-N 2.88Å; E183-R257 WeakPolarHBondContact OE2-CD 3.27Å; E183-R257 IonicContact OE2-CZ 3.72Å; E183-R257 IonicContact OE2-NH1 2.67Å; E183-R257 PolarHBondContact OE2-NH1 3.2Å; E183-I258 CarbonylContact C-O 3.52Å; E183-I258 VanDerWaalsContact CA-O 3.29Å; E183-I258 WeakPolarHBondContact CA-O 3.46Å
184	Y	98.7	Very high	98.3	Very high	11 Å²	11	58.7 Å²	58.7	4%	0.043	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	135.7	164.7	-72.1	-99.6	0	0	0	108.9	A177 E178 K179 T208 F223 R257 I258 V263 E267	A177-Y184 HydrophobicContact CB-CD1 4.21Å; E178-Y184 CarbonylContact O-C 3.55Å; E178-Y184 VanDerWaalsContact O-CA 3.32Å; E178-Y184 WeakPolarHBondContact O-CA 3.44Å; K179-Y184 HydrophobicContact CB-CD1 4.06Å; K179-Y184 HydrophobicContact CB-CE1 3.72Å; K179-Y184 HydrophobicContact CD-CE1 4.42Å; K179-Y184 HydrophobicContact CG-CE1 4.09Å; K179-Y184 HydrophobicContact CG-CE2 4.31Å; Y184-T208 HydrophobicContact CD1-CG2 4.23Å; Y184-T208 HydrophobicContact CE1-CG2 3.97Å; Y184-F223 AromaticContact CD1-CE1 4Å; Y184-F223 HydrophobicContact CD1-CE1 4Å; Y184-F223 AromaticContact CD1-CZ 3.89Å; Y184-F223 HydrophobicContact CD1-CZ 3.89Å; Y184-F223 AromaticContact CD2-CE1 3.74Å; Y184-F223 HydrophobicContact CD2-CE1 3.74Å; Y184-F223 HydrophobicContact CD2-CZ 4.45Å; Y184-F223 HydrophobicContact CE1-CE1 4.48Å; Y184-F223 HydrophobicContact CE1-CZ 4.32Å; Y184-F223 HydrophobicContact CE2-CE1 4.26Å; Y184-F223 AromaticContact CG-CE1 3.6Å; Y184-F223 HydrophobicContact CG-CE1 3.6Å; Y184-F223 AromaticContact CG-CZ 3.96Å; Y184-F223 HydrophobicContact CG-CZ 3.96Å; Y184-R257 CarbonylContact O-C 3.59Å; Y184-R257 WeakPolarHBondContact O-CA 3.46Å; Y184-I258 PolarHBondContact N-O 3.22Å; Y184-I258 PolarHBondContact O-N 3.26Å; Y184-V263 HydrophobicContact CD2-CG2 3.98Å; Y184-V263 HydrophobicContact CE2-CG2 3.6Å; Y184-E267 PolarHBondContact OH-OE2 2.82Å
185	V	98.8	Very high	98.3	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.2	172.2	-178.9	0	0	0	0	108.7	A177 E178 K180 D255 V256 R257	A177-V185 WeakPolarHBondContact CA-O 3.47Å; E178-V185 PolarHBondContact N-O 2.77Å; E178-V185 PolarHBondContact O-N 3.05Å; K180-V185 HydrophobicContact CB-CG2 4.34Å; K180-V185 HydrophobicContact CD-CB 4.39Å; K180-V185 HydrophobicContact CD-CG2 3.71Å; K180-V185 HydrophobicContact CG-CG2 4.11Å; V185-D255 HydrophobicContact CG1-CB 4.07Å; V185-V256 CarbonylContact C-O 3.57Å; V185-V256 WeakPolarHBondContact CA-O 3.4Å; V185-R257 HydrophobicContact CG2-CG 4.28Å
186	V	98.8	Very high	98.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.9	-174.8	178.1	0	0	0	0	111.5	T175 R176 A177 L204 F253 D255 V256 I258	T175-V186 HydrophobicContact CG2-CG1 3.73Å; R176-V186 VanDerWaalsContact O-CA 3.25Å; R176-V186 WeakPolarHBondContact O-CA 3.4Å; A177-V186 HydrophobicContact CB-CG2 3.84Å; V186-L204 HydrophobicContact CG1-CD2 3.92Å; V186-L204 HydrophobicContact CG2-CD2 4.48Å; V186-F253 HydrophobicContact CG1-CB 3.96Å; V186-F253 HydrophobicContact CG1-CD1 4.49Å; V186-F253 HydrophobicContact CG1-CG 4.26Å; V186-D255 PolarHBondContact O-N 2.9Å; V186-V256 HydrophobicContact CB-CB 4.41Å; V186-V256 PolarHBondContact N-O 3.32Å; V186-V256 PolarHBondContact O-N 3.06Å; V186-V256 VanDerWaalsContact O-N 3.08Å; V186-I258 HydrophobicContact CB-CD1 4.37Å; V186-I258 HydrophobicContact CG2-CD1 3.4Å; V186-I258 HydrophobicContact CG2-CG1 4.26Å
187	N	98.9	Very high	98.4	Very high	65 Å²	65	47 Å²	47	35%	0.348	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.4	172.9	-79.2	-75.9	0	0	0	110.7	T175 R176 F253 D255	T175-N187 WeakPolarHBondContact CA-O 3.3Å; R176-N187 PolarHBondContact N-O 2.83Å; R176-N187 PolarHBondContact O-N 3.44Å; N187-F253 VanDerWaalsContact CA-O 3.32Å; N187-F253 WeakPolarHBondContact CA-O 3.41Å; N187-D255 PolarHBondContact ND2-OD1 3.13Å; N187-D255 PolarHBondContact OD1-N 2.84Å
188	G	98.6	Very high	98.4	Very high	23 Å²	23	51.2 Å²	51.2	24%	0.237	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-174.2	177.9	0	0	0	0	0	113.6	F253	G188-F253 PolarHBondContact N-O 3.22Å; G188-F253 PolarHBondContact O-N 2.93Å
189	Q	98.7	Very high	98.4	Very high	92 Å²	92	46.2 Å²	46.2	43%	0.43	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.6	179.8	-173.8	-178.7	23.5	0	0	110.1	E163 P164 I251	E163-Q189 VanDerWaalsContact CG-O 3.29Å; E163-Q189 WeakPolarHBondContact CG-O 3.15Å; P164-Q189 VanDerWaalsContact CD-O 3.31Å; P164-Q189 WeakPolarHBondContact CD-O 3.16Å; P164-Q189 HydrophobicContact CG-CG 4.22Å; Q189-I251 CarbonylContact C-O 3.43Å; Q189-I251 WeakPolarHBondContact CA-O 3.39Å
190	K	98.9	Very high	98.4	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	153.2	169.7	-61.5	-55.2	-175.2	-176.7	0	110.6	G160 V161 T162 E163 T175 I193 L204 L205 G250 I251 F253	G160-K190 WeakPolarHBondContact O-CE 3.33Å; V161-K190 WeakPolarHBondContact O-CD 3.49Å; V161-K190 PolarHBondContact O-NZ 2.87Å; T162-K190 CarbonylContact O-C 3.5Å; T162-K190 VanDerWaalsContact O-CA 3.24Å; T162-K190 WeakPolarHBondContact O-CA 3.48Å; T162-K190 WeakPolarHBondContact O-CD 3.34Å; E163-K190 HydrophobicContact CG-CD 3.73Å; E163-K190 IonicContact OE1-NZ 3.39Å; E163-K190 PolarHBondContact OE1-NZ 3.08Å; T175-K190 WeakPolarHBondContact OG1-CE 3.35Å; T175-K190 PolarHBondContact OG1-NZ 3.35Å; K190-I193 HydrophobicContact CB-CD1 3.99Å; K190-I193 HydrophobicContact CB-CG1 3.86Å; K190-L204 HydrophobicContact CD-CD1 4.29Å; K190-L204 VanDerWaalsContact CE-CD1 3.45Å; K190-L204 HydrophobicContact CG-CD1 3.91Å; K190-L205 VanDerWaalsContact CE-O 3.32Å; K190-L205 WeakPolarHBondContact CE-O 3.44Å; K190-L205 PolarHBondContact NZ-O 3.44Å; K190-G250 CarbonylContact O-C 3.55Å; K190-G250 WeakPolarHBondContact O-CA 3.2Å; K190-I251 PolarHBondContact N-O 2.86Å; K190-I251 PolarHBondContact O-N 2.86Å; K190-F253 HydrophobicContact CB-CE2 4.25Å; K190-F253 HydrophobicContact CG-CD2 4.47Å; K190-F253 HydrophobicContact CG-CE2 3.73Å
191	M	98.8	Very high	98.5	Very high	26 Å²	26	38.2 Å²	38.2	13%	0.128	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.3	-176.7	-168.9	57.7	-175.4	0	0	111.5	T162 P164 I193 E238	T162-M191 WeakPolarHBondContact CB-O 3.48Å; T162-M191 PolarHBondContact O-N 2.84Å; P164-M191 HydrophobicContact CG-CB 4.01Å; M191-I193 WeakPolarHBondContact O-CD1 3.47Å; M191-E238 HydrophobicContact CE-CG 3.97Å
192	W	98.8	Very high	98.6	Very high	128 Å²	128	35.4 Å²	35.4	49%	0.485	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	64.2	36.9	-179.1	-47.6	116.5	0	0	0	113.6	T194 E238 T248 R249	W192-T194 PolarHBondContact O-N 3.12Å; W192-E238 HydrophobicContact CE3-CG 4.43Å; W192-E238 HydrophobicContact CZ3-CB 3.89Å; W192-E238 HydrophobicContact CZ3-CG 3.85Å; W192-T248 HydrophobicContact CB-CG2 4.29Å; W192-T248 HydrophobicContact CE3-CG2 4.09Å; W192-R249 PolarHBondContact N-O 3.18Å
193	I	98.9	Very high	98.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	107.3	-176.8	-52.8	-47.5	0	0	0	109.7	A158 K190 M191 G196 T248 R249 I251	A158-I193 HydrophobicContact CB-CG2 3.8Å; K190-I193 HydrophobicContact CB-CD1 3.99Å; K190-I193 HydrophobicContact CB-CG1 3.86Å; M191-I193 WeakPolarHBondContact O-CD1 3.47Å; I193-G196 WeakPolarHBondContact O-CA 3.49Å; I193-G196 PolarHBondContact O-N 3.14Å; I193-T248 WeakPolarHBondContact O-CA 3.39Å; I193-R249 PolarHBondContact N-O 3.08Å; I193-R249 PolarHBondContact O-N 3.13Å; I193-R249 VanDerWaalsContact O-N 3.13Å; I193-I251 HydrophobicContact CB-CD1 3.97Å; I193-I251 HydrophobicContact CB-CG1 4.32Å; I193-I251 HydrophobicContact CG1-CD1 4.18Å; I193-I251 HydrophobicContact CG1-CG1 4.28Å; I193-I251 HydrophobicContact CG2-CD1 3.82Å
194	T	98.9	Very high	98.8	Very high	27 Å²	27	27.3 Å²	27.3	17%	0.166	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	139.3	171.8	-54	0	0	0	0	110.5	T122 A126 A158 W192 G196 D247	T122-T194 HydrophobicContact CG2-CG2 3.94Å; A126-T194 HydrophobicContact CB-CG2 3.47Å; A126-T194 VanDerWaalsContact CB-CG2 3.47Å; A158-T194 WeakPolarHBondContact CB-O 3.4Å; W192-T194 PolarHBondContact O-N 3.12Å; T194-G196 PolarHBondContact O-N 2.83Å; T194-D247 CarbonylContact C-O 3.55Å; T194-D247 VanDerWaalsContact CA-O 3.23Å; T194-D247 WeakPolarHBondContact CA-O 3.46Å
195	N	98.9	Very high	98.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	16.2	-169.2	-65.5	-21.3	0	0	0	114	Y74 A123 A126 M156 C157 A158 G197 K198 A199 D247	Y74-N195 PolarHBondContact OH-OD1 3.42Å; A123-N195 PolarHBondContact O-ND2 2.8Å; A126-N195 WeakPolarHBondContact CB-ND2 3.19Å; M156-N195 HydrophobicContact CB-CB 4.44Å; M156-N195 WeakPolarHBondContact CE-ND2 3.17Å; C157-N195 PolarHBondContact O-ND2 3.21Å; A158-N195 HydrophobicContact CB-CB 4.28Å; N195-G197 PolarHBondContact O-N 2.83Å; N195-G197 VanDerWaalsContact O-N 3.09Å; N195-K198 HydrophobicContact CB-CB 4.46Å; N195-K198 CarbonylContact O-C 3.56Å; N195-K198 PolarHBondContact O-N 2.85Å; N195-A199 WeakPolarHBondContact O-CB 3.44Å; N195-A199 PolarHBondContact O-N 3.47Å; N195-D247 PolarHBondContact N-O 2.87Å
196	G	98.7	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.8	-172.4	0	0	0	0	0	115.3	I193 T194 Y202 D247	I193-G196 WeakPolarHBondContact O-CA 3.49Å; I193-G196 PolarHBondContact O-N 3.14Å; T194-G196 PolarHBondContact O-N 2.83Å; G196-Y202 PolarHBondContact O-OH 2.74Å; G196-D247 PolarHBondContact N-OD2 2.93Å
197	G	98.6	Very high	98.8	Very high	29 Å²	29	28 Å²	28	30%	0.299	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	11.6	173.8	0	0	0	0	0	114.5	N195 D247	N195-G197 PolarHBondContact O-N 2.83Å; N195-G197 VanDerWaalsContact O-N 3.09Å; G197-D247 WeakPolarHBondContact CA-OD2 3.2Å; G197-D247 PolarHBondContact N-OD2 2.9Å
198	K	98.8	Very high	98.8	Very high	92 Å²	92	26 Å²	26	40%	0.4	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-17.2	-176.1	-56.3	-63.7	173.4	-170.2	0	112.9	Y74 M156 N195 D247	Y74-K198 HydrophobicContact CD1-CD 3.82Å; Y74-K198 HydrophobicContact CD1-CG 3.92Å; Y74-K198 HydrophobicContact CD2-CG 4.13Å; Y74-K198 HydrophobicContact CE1-CB 4.06Å; Y74-K198 HydrophobicContact CE1-CD 4Å; Y74-K198 HydrophobicContact CE1-CG 3.71Å; Y74-K198 HydrophobicContact CE2-CG 3.93Å; Y74-K198 HydrophobicContact CG-CD 4.15Å; Y74-K198 HydrophobicContact CG-CG 4.1Å; M156-K198 HydrophobicContact CB-CB 4.47Å; M156-K198 HydrophobicContact CG-CB 4.43Å; N195-K198 HydrophobicContact CB-CB 4.46Å; N195-K198 CarbonylContact O-C 3.56Å; N195-K198 PolarHBondContact O-N 2.85Å; K198-D247 HydrophobicContact CG-CB 3.91Å
199	A	98.9	Very high	98.7	Very high	11 Å²	11	27.6 Å²	27.6	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.4	-178.1	0	0	0	0	0	112.3	M156 A158 N195 Y202 A227	M156-A199 CarbonylContact O-C 3.57Å; M156-A199 WeakPolarHBondContact O-CA 3.45Å; A158-A199 HydrophobicContact CB-CB 3.78Å; N195-A199 WeakPolarHBondContact O-CB 3.44Å; N195-A199 PolarHBondContact O-N 3.47Å; A199-Y202 HydrophobicContact CB-CD1 4.13Å; A199-Y202 HydrophobicContact CB-CE1 3.59Å; A199-A227 WeakPolarHBondContact O-CB 3.27Å
200	N	98.9	Very high	98.4	Very high	53 Å²	53	26.9 Å²	26.9	28%	0.283	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-31.1	166.3	179.4	-103.4	0	0	0	111.3	R149 L155 M156 A227	R149-N200 WeakPolarHBondContact CD-OD1 3.3Å; R149-N200 PolarHBondContact NH1-OD1 3.21Å; L155-N200 HydrophobicContact CB-CB 4.26Å; L155-N200 HydrophobicContact CD1-CB 4.25Å; L155-N200 HydrophobicContact CD2-CB 4.41Å; M156-N200 PolarHBondContact O-N 2.8Å; N200-A227 VanDerWaalsContact O-CB 3.25Å; N200-A227 WeakPolarHBondContact O-CB 3.47Å; N200-A227 PolarHBondContact O-N 3.35Å
201	W	98.9	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.4	175.9	59.3	-92.6	0	0	0	111.4	G130 Q131 V134 Y146 M150 C157 A158 I224 V225	G130-W201 VanDerWaalsContact O-CH2 3.28Å; G130-W201 WeakPolarHBondContact O-CH2 3.2Å; G130-W201 WeakPolarHBondContact O-CZ3 3.47Å; Q131-W201 HydrophobicContact CG-CH2 4.24Å; Q131-W201 HydrophobicContact CG-CZ2 4.1Å; V134-W201 HydrophobicContact CG2-CH2 3.93Å; V134-W201 HydrophobicContact CG2-CZ3 4.03Å; Y146-W201 HydrophobicContact CD1-CB 4.33Å; Y146-W201 HydrophobicContact CD1-CD2 4.25Å; Y146-W201 AromaticContact CD1-CG 3.99Å; Y146-W201 HydrophobicContact CD1-CG 3.99Å; Y146-W201 PolarHBondContact O-NE1 3.05Å; M150-W201 HydrophobicContact SD-CZ2 4.48Å; M150-W201 PolarHBondContact SD-NE1 2.86Å; C157-W201 VanDerWaalsContact CA-O 3.31Å; C157-W201 WeakPolarHBondContact CA-O 3.45Å; C157-W201 HydrophobicContact CB-CD2 3.7Å; C157-W201 VanDerWaalsContact CB-CE2 3.46Å; C157-W201 HydrophobicContact CB-CE3 4.04Å; C157-W201 HydrophobicContact CB-CG 4.26Å; C157-W201 HydrophobicContact CB-CH2 3.99Å; C157-W201 HydrophobicContact CB-CZ2 3.63Å; C157-W201 HydrophobicContact CB-CZ3 4.18Å; C157-W201 VanDerWaalsContact CB-O 3.32Å; C157-W201 WeakPolarHBondContact CB-O 3.29Å; A158-W201 PolarHBondContact N-O 3.49Å; W201-I224 HydrophobicContact CB-CG2 4.5Å; W201-I224 HydrophobicContact CD2-CG2 4.24Å; W201-I224 HydrophobicContact CE3-CG2 3.75Å; W201-I224 HydrophobicContact CZ3-CG2 4.35Å; W201-V225 CarbonylContact C-O 3.58Å; W201-V225 WeakPolarHBondContact CA-O 3.46Å; W201-V225 WeakPolarHBondContact CB-O 3.47Å
202	Y	98.9	Very high	97.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.5	179.2	-52.7	-77.8	0	0	0	110.7	A158 G196 A199 I224 V225 A227 I232 I251	A158-Y202 HydrophobicContact CB-CD1 3.65Å; A158-Y202 HydrophobicContact CB-CE1 3.9Å; A158-Y202 CarbonylContact O-C 3.49Å; A158-Y202 WeakPolarHBondContact O-CA 3.41Å; G196-Y202 PolarHBondContact O-OH 2.74Å; A199-Y202 HydrophobicContact CB-CD1 4.13Å; A199-Y202 HydrophobicContact CB-CE1 3.59Å; Y202-I224 CarbonylContact O-C 3.58Å; Y202-I224 WeakPolarHBondContact O-CA 3.32Å; Y202-V225 PolarHBondContact N-O 2.9Å; Y202-V225 PolarHBondContact O-N 3.45Å; Y202-A227 HydrophobicContact CD2-CB 4.2Å; Y202-A227 HydrophobicContact CE2-CB 3.44Å; Y202-A227 VanDerWaalsContact CE2-CB 3.44Å; Y202-I232 HydrophobicContact CD2-CD1 4.43Å; Y202-I232 HydrophobicContact CE2-CD1 4.28Å; Y202-I232 HydrophobicContact CE2-CG2 4.42Å; Y202-I251 HydrophobicContact CD1-CD1 3.98Å; Y202-I251 HydrophobicContact CE1-CD1 3.37Å
203	F	98.9	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.6	147	167	-95.6	0	0	0	108	P133 A158 Y159 G160 V161 L205 F223 L264 I273	P133-F203 HydrophobicContact CB-CD2 3.35Å; P133-F203 HydrophobicContact CB-CE2 3.54Å; P133-F203 HydrophobicContact CB-CG 3.94Å; P133-F203 HydrophobicContact CB-CZ 4.26Å; P133-F203 HydrophobicContact CG-CB 4.26Å; P133-F203 HydrophobicContact CG-CD1 4.05Å; P133-F203 HydrophobicContact CG-CD2 3.64Å; P133-F203 HydrophobicContact CG-CE1 4.27Å; P133-F203 HydrophobicContact CG-CE2 3.89Å; P133-F203 HydrophobicContact CG-CG 3.7Å; P133-F203 HydrophobicContact CG-CZ 4.18Å; A158-F203 PolarHBondContact O-N 3.44Å; Y159-F203 HydrophobicContact CD2-CB 4.16Å; Y159-F203 AromaticContact CD2-CD1 3.17Å; Y159-F203 HydrophobicContact CD2-CD1 3.17Å; Y159-F203 AromaticContact CD2-CE1 3.76Å; Y159-F203 HydrophobicContact CD2-CE1 3.76Å; Y159-F203 AromaticContact CD2-CG 3.92Å; Y159-F203 HydrophobicContact CD2-CG 3.92Å; Y159-F203 AromaticContact CE2-CD1 3.14Å; Y159-F203 HydrophobicContact CE2-CD1 3.14Å; Y159-F203 AromaticContact CE2-CE1 3.17Å; Y159-F203 HydrophobicContact CE2-CE1 3.17Å; Y159-F203 HydrophobicContact CE2-CG 4.08Å; Y159-F203 HydrophobicContact CE2-CZ 4.15Å; Y159-F203 AromaticContact CG-CD1 3.99Å; Y159-F203 HydrophobicContact CG-CD1 3.99Å; Y159-F203 AromaticContact CZ-CD1 3.99Å; Y159-F203 AromaticContact CZ-CE1 3.69Å; G160-F203 WeakPolarHBondContact CA-O 3.45Å; G160-F203 PolarHBondContact N-O 3.16Å; V161-F203 HydrophobicContact CG2-CD1 4.39Å; V161-F203 HydrophobicContact CG2-CE1 3.82Å; F203-L205 HydrophobicContact CE1-CB 4.16Å; F203-L205 HydrophobicContact CZ-CB 4.34Å; F203-F223 CarbonylContact C-O 3.58Å; F203-F223 WeakPolarHBondContact CA-O 3.47Å; F203-L264 HydrophobicContact CD2-CD1 3.74Å; F203-L264 HydrophobicContact CE2-CD1 3.81Å; F203-I273 HydrophobicContact CE2-CG2 4.27Å
204	L	98.9	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.4	179	178.5	66.4	0	0	0	110.6	V186 K190 G222 F223 V225 F253 I258	V186-L204 HydrophobicContact CG1-CD2 3.92Å; V186-L204 HydrophobicContact CG2-CD2 4.48Å; K190-L204 HydrophobicContact CD-CD1 4.29Å; K190-L204 VanDerWaalsContact CE-CD1 3.45Å; K190-L204 HydrophobicContact CG-CD1 3.91Å; L204-G222 WeakPolarHBondContact O-CA 3.33Å; L204-F223 HydrophobicContact CB-CB 4.38Å; L204-F223 PolarHBondContact N-O 3.47Å; L204-F223 PolarHBondContact O-N 3.01Å; L204-V225 HydrophobicContact CB-CG2 3.79Å; L204-V225 HydrophobicContact CD2-CG2 3.91Å; L204-F253 HydrophobicContact CD1-CE1 4.44Å; L204-F253 HydrophobicContact CD1-CE2 4.04Å; L204-F253 HydrophobicContact CD1-CZ 3.9Å; L204-F253 HydrophobicContact CD2-CD1 4.17Å; L204-F253 HydrophobicContact CD2-CE1 3.9Å; L204-F253 HydrophobicContact CD2-CZ 4.19Å; L204-I258 HydrophobicContact CD2-CD1 4.27Å
205	L	98.9	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.8	169	-170.8	70.1	0	0	0	109.9	G160 V161 V170 L173 K190 F203 F220 G270 A274	G160-L205 PolarHBondContact O-N 3.37Å; G160-L205 VanDerWaalsContact O-N 3.08Å; V161-L205 HydrophobicContact CG1-CD2 4.23Å; V161-L205 HydrophobicContact CG2-CB 3.8Å; V161-L205 HydrophobicContact CG2-CD2 4.28Å; V170-L205 HydrophobicContact CG1-CD2 3.82Å; L173-L205 HydrophobicContact CD1-CD2 3.87Å; L173-L205 HydrophobicContact CD1-CG 4.49Å; K190-L205 VanDerWaalsContact CE-O 3.32Å; K190-L205 WeakPolarHBondContact CE-O 3.44Å; K190-L205 PolarHBondContact NZ-O 3.44Å; F203-L205 HydrophobicContact CE1-CB 4.16Å; F203-L205 HydrophobicContact CZ-CB 4.34Å; L205-F220 HydrophobicContact CD1-CB 3.76Å; L205-F220 HydrophobicContact CG-CB 4.19Å; L205-F220 HydrophobicContact CG-CD1 4.38Å; L205-G270 VanDerWaalsContact CD1-C 3.41Å; L205-G270 WeakPolarHBondContact CD1-O 3.42Å; L205-A274 HydrophobicContact CD2-CB 4.17Å
206	A	98.8	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.5	178	0	0	0	0	0	111.2	T175 A177 T208 F220 T221 F223	T175-A206 HydrophobicContact CG2-CB 4.01Å; A177-A206 HydrophobicContact CB-CB 3.83Å; A206-T208 PolarHBondContact O-N 2.8Å; A206-F220 WeakPolarHBondContact O-CA 3.46Å; A206-T221 PolarHBondContact N-O 2.8Å; A206-T221 VanDerWaalsContact N-O 3.12Å; A206-T221 PolarHBondContact O-N 2.98Å; A206-F223 HydrophobicContact CB-CD2 4.38Å; A206-F223 HydrophobicContact CB-CE2 4.05Å
207	R	98.6	Very high	96.8	Very high	32 Å²	32	45.7 Å²	45.7	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118	176.3	-170.1	176.4	-175.2	113.9	2.9	109.3	T175 R176 A177 D209 D211 A219 F220	T175-R207 PolarHBondContact O-N 3.16Å; R176-R207 WeakPolarHBondContact CA-O 3.42Å; A177-R207 PolarHBondContact N-O 2.77Å; R207-D209 VanDerWaalsContact CG-O 3.32Å; R207-D209 WeakPolarHBondContact CG-O 3.23Å; R207-D209 PolarHBondContact NE-O 2.97Å; R207-D211 PolarHBondContact NH2-O 3.44Å; R207-A219 WeakPolarHBondContact CA-O 3.46Å; R207-A219 WeakPolarHBondContact CG-O 3.49Å; R207-F220 HydrophobicContact CB-CD1 3.97Å; R207-F220 HydrophobicContact CB-CE1 3.8Å; R207-F220 HydrophobicContact CG-CD1 4.46Å; R207-F220 HydrophobicContact CG-CE1 4.19Å
208	T	98.2	Very high	96.7	Very high	22 Å²	22	50.9 Å²	50.9	14%	0.135	28%	0.282	C	S	.	.			trans	-99.3	-29.7	175.5	45.3	0	0	0	0	112.2	A177 Y184 A206 A219 T221 F223 E267	A177-T208 HydrophobicContact CB-CG2 3.78Å; Y184-T208 HydrophobicContact CD1-CG2 4.23Å; Y184-T208 HydrophobicContact CE1-CG2 3.97Å; A206-T208 PolarHBondContact O-N 2.8Å; T208-A219 PolarHBondContact N-O 2.96Å; T208-T221 VanDerWaalsContact CG2-CB 3.49Å; T208-T221 HydrophobicContact CG2-CG2 4.38Å; T208-T221 VanDerWaalsContact CG2-OG1 3.23Å; T208-T221 WeakPolarHBondContact CG2-OG1 3.3Å; T208-T221 PolarHBondContact OG1-OG1 3.36Å; T208-F223 HydrophobicContact CG2-CE2 4.31Å; T208-F223 HydrophobicContact CG2-CZ 3.94Å; T208-E267 HydrophobicContact CG2-CG 4.27Å; T208-E267 WeakPolarHBondContact OG1-CG 3.25Å
209	D	96.6	Very high	96.6	Very high	57 Å²	57	46.5 Å²	46.5	31%	0.305	26%	0.263	S	S	.	.			trans	-88.4	118.3	176.5	-162.6	-43.5	0	0	0	111.2	R207 D211 C214 A219	R207-D209 VanDerWaalsContact CG-O 3.32Å; R207-D209 WeakPolarHBondContact CG-O 3.23Å; R207-D209 PolarHBondContact NE-O 2.97Å; D209-D211 VanDerWaalsContact C-N 3.35Å; D209-D211 VanDerWaalsContact OD1-CB 3.3Å; D209-D211 WeakPolarHBondContact OD1-CB 3.17Å; D209-D211 PolarHBondContact OD1-N 2.95Å; D209-C214 HydrophobicContact CB-CB 4.02Å; D209-C214 VanDerWaalsContact CG-CB 3.46Å; D209-C214 VanDerWaalsContact CG-SG 3.51Å; D209-C214 WeakPolarHBondContact OD2-CB 3.15Å; D209-C214 PolarHBondContact OD2-SG 3.29Å; D209-A219 HydrophobicContact CB-CB 4.42Å; D209-A219 PolarHBondContact N-O 2.95Å
210	A	92.2	Very high	96.6	Very high	77 Å²	77	46 Å²	46	64%	0.636	26%	0.259	S	S	*	.			trans	-77.1	-18.2	-179.2	0	0	0	0	0	113.5	P212	A210-P212 WeakPolarHBondContact O-CD 3.31Å
211	D	94.8	Very high	96.6	Very high	76 Å²	76	43.5 Å²	43.5	41%	0.406	25%	0.245	S	C	.	.			trans	-68.3	118.4	-180	-176.8	-0.2	0	0	0	109.6	R207 D209 K213 C214	R207-D211 PolarHBondContact NH2-O 3.44Å; D209-D211 VanDerWaalsContact C-N 3.35Å; D209-D211 VanDerWaalsContact OD1-CB 3.3Å; D209-D211 WeakPolarHBondContact OD1-CB 3.17Å; D209-D211 PolarHBondContact OD1-N 2.95Å; D211-K213 PolarHBondContact O-N 3.26Å; D211-K213 VanDerWaalsContact O-N 3.17Å; D211-K213 WeakPolarHBondContact OD1-CB 3.32Å; D211-K213 PolarHBondContact OD1-N 3.48Å; D211-C214 HydrophobicContact CB-CB 4.23Å; D211-C214 WeakPolarHBondContact O-CB 3.43Å; D211-C214 PolarHBondContact O-N 2.96Å; D211-C214 VanDerWaalsContact O-N 3.08Å
212	P	89.3	Confident	96.6	Very high	113 Å²	113	43.5 Å²	43.5	73%	0.734	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.2	175.4	26.5	-35.6	0	0	0	113.1	A210	A210-P212 WeakPolarHBondContact O-CD 3.31Å
213	K	93.6	Very high	96.6	Very high	183 Å²	183	43.3 Å²	43.3	80%	0.796	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-9.5	177.4	-58.7	177	-179.3	175.5	0	113.3	D211	D211-K213 PolarHBondContact O-N 3.26Å; D211-K213 VanDerWaalsContact O-N 3.17Å; D211-K213 WeakPolarHBondContact OD1-CB 3.32Å; D211-K213 PolarHBondContact OD1-N 3.48Å
214	C	95.7	Very high	96.6	Very high	16 Å²	16	43.3 Å²	43.3	11%	0.108	24%	0.244	C	C	.	.	S	Bend	trans	-58.5	128.4	176.4	179.9	0	0	0	0	109.5	D209 D211 T216 A219	D209-C214 HydrophobicContact CB-CB 4.02Å; D209-C214 VanDerWaalsContact CG-CB 3.46Å; D209-C214 VanDerWaalsContact CG-SG 3.51Å; D209-C214 WeakPolarHBondContact OD2-CB 3.15Å; D209-C214 PolarHBondContact OD2-SG 3.29Å; D211-C214 HydrophobicContact CB-CB 4.23Å; D211-C214 WeakPolarHBondContact O-CB 3.43Å; D211-C214 PolarHBondContact O-N 2.96Å; D211-C214 VanDerWaalsContact O-N 3.08Å; C214-T216 PolarHBondContact O-N 2.88Å; C214-A219 HydrophobicContact CB-CB 4.32Å
215	P	95.9	Very high	96.6	Very high	70 Å²	70	43.3 Å²	43.3	46%	0.455	25%	0.245	S	C	.	.			trans	-60.7	141.2	179.6	25.3	-34.2	0	0	0	110.3	S217 K218 A219	P215-S217 PolarHBondContact O-N 3.26Å; P215-K218 HydrophobicContact CG-CB 4.29Å; P215-K218 HydrophobicContact CG-CD 4.18Å; P215-K218 HydrophobicContact CG-CG 4.27Å; P215-K218 PolarHBondContact O-N 2.97Å; P215-A219 PolarHBondContact O-N 3.39Å; P215-A219 VanDerWaalsContact O-N 3.14Å
216	T	94.4	Very high	96.6	Very high	51 Å²	51	44.9 Å²	44.9	31%	0.313	25%	0.253	S	S	.	.	H	α-helix	trans	-50	-34.8	-178.9	-53.5	0	0	0	0	113.2	A171 C214 K218 F220 F271	A171-T216 HydrophobicContact CB-CG2 3.55Å; C214-T216 PolarHBondContact O-N 2.88Å; T216-K218 PolarHBondContact O-N 3.05Å; T216-K218 VanDerWaalsContact O-N 3.16Å; T216-F220 HydrophobicContact CG2-CD2 4.41Å; T216-F220 HydrophobicContact CG2-CE2 4.03Å; T216-F271 HydrophobicContact CG2-CD1 3.97Å; T216-F271 HydrophobicContact CG2-CD2 3.44Å; T216-F271 VanDerWaalsContact CG2-CD2 3.44Å; T216-F271 HydrophobicContact CG2-CE1 3.91Å; T216-F271 HydrophobicContact CG2-CE2 3.36Å; T216-F271 HydrophobicContact CG2-CG 3.75Å; T216-F271 HydrophobicContact CG2-CZ 3.61Å; T216-F271 WeakPolarHBondContact O-CB 3.35Å
217	S	94.2	Very high	96.6	Very high	73 Å²	73	45.8 Å²	45.8	51%	0.51	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-10.2	178.5	56.3	0	0	0	0	115.2	P215	P215-S217 PolarHBondContact O-N 3.26Å
218	K	97	Very high	96.6	Very high	137 Å²	137	50.9 Å²	50.9	60%	0.596	29%	0.29	S	S	*	.	H	α-helix	trans	-126.5	-10.2	179.2	-61.9	-174.5	178.9	-177	0	113.8	P215 T216 F220 G268	P215-K218 HydrophobicContact CG-CB 4.29Å; P215-K218 HydrophobicContact CG-CD 4.18Å; P215-K218 HydrophobicContact CG-CG 4.27Å; P215-K218 PolarHBondContact O-N 2.97Å; T216-K218 PolarHBondContact O-N 3.05Å; T216-K218 VanDerWaalsContact O-N 3.16Å; K218-F220 PolarHBondContact O-N 2.83Å; K218-G268 WeakPolarHBondContact CA-O 3.47Å; K218-G268 WeakPolarHBondContact O-CA 3.35Å
219	A	97.9	Very high	96.6	Very high	1 Å²	1	51 Å²	51	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-78.1	-16.9	-171.5	0	0	0	0	0	114.7	R207 T208 D209 C214 P215	R207-A219 WeakPolarHBondContact CA-O 3.46Å; R207-A219 WeakPolarHBondContact CG-O 3.49Å; T208-A219 PolarHBondContact N-O 2.96Å; D209-A219 HydrophobicContact CB-CB 4.42Å; D209-A219 PolarHBondContact N-O 2.95Å; C214-A219 HydrophobicContact CB-CB 4.32Å; P215-A219 PolarHBondContact O-N 3.39Å; P215-A219 VanDerWaalsContact O-N 3.14Å
220	F	98.6	Very high	96.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.8	-168.9	-60.9	-85.1	0	0	0	112.6	A171 L173 L205 A206 R207 T216 K218 G268 A269 G270 F271	A171-F220 WeakPolarHBondContact O-CZ 3.47Å; L173-F220 HydrophobicContact CB-CE1 3.87Å; L173-F220 HydrophobicContact CB-CZ 4.41Å; L205-F220 HydrophobicContact CD1-CB 3.76Å; L205-F220 HydrophobicContact CG-CB 4.19Å; L205-F220 HydrophobicContact CG-CD1 4.38Å; A206-F220 WeakPolarHBondContact O-CA 3.46Å; R207-F220 HydrophobicContact CB-CD1 3.97Å; R207-F220 HydrophobicContact CB-CE1 3.8Å; R207-F220 HydrophobicContact CG-CD1 4.46Å; R207-F220 HydrophobicContact CG-CE1 4.19Å; T216-F220 HydrophobicContact CG2-CD2 4.41Å; T216-F220 HydrophobicContact CG2-CE2 4.03Å; K218-F220 PolarHBondContact O-N 2.83Å; F220-G268 CarbonylContact O-C 3.02Å; F220-G268 WeakPolarHBondContact O-CA 3.29Å; F220-G268 PolarHBondContact O-N 3.39Å; F220-A269 PolarHBondContact O-N 3.15Å; F220-G270 WeakPolarHBondContact O-CA 3.27Å; F220-G270 PolarHBondContact O-N 3.31Å; F220-F271 HydrophobicContact CB-CB 4.48Å; F220-F271 HydrophobicContact CD2-CB 4.27Å; F220-F271 HydrophobicContact CD2-CD2 4.3Å
221	T	98.8	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.3	175.6	-60.1	0	0	0	0	109.8	A206 T208 F223 V263 E267 G268	A206-T221 PolarHBondContact N-O 2.8Å; A206-T221 VanDerWaalsContact N-O 3.12Å; A206-T221 PolarHBondContact O-N 2.98Å; T208-T221 VanDerWaalsContact CG2-CB 3.49Å; T208-T221 HydrophobicContact CG2-CG2 4.38Å; T208-T221 VanDerWaalsContact CG2-OG1 3.23Å; T208-T221 WeakPolarHBondContact CG2-OG1 3.3Å; T208-T221 PolarHBondContact OG1-OG1 3.36Å; T221-F223 HydrophobicContact CG2-CD2 4.3Å; T221-F223 HydrophobicContact CG2-CE1 3.93Å; T221-F223 HydrophobicContact CG2-CE2 3.66Å; T221-F223 HydrophobicContact CG2-CZ 3.45Å; T221-F223 VanDerWaalsContact CG2-CZ 3.45Å; T221-F223 WeakPolarHBondContact O-CD2 3Å; T221-F223 WeakPolarHBondContact O-CE2 3.45Å; T221-V263 HydrophobicContact CG2-CG1 3.6Å; T221-V263 HydrophobicContact CG2-CG2 4.5Å; T221-E267 WeakPolarHBondContact OG1-CA 3.49Å; T221-G268 PolarHBondContact OG1-N 3.33Å
222	G	98.8	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.9	175.5	0	0	0	0	0	110.1	L204 L264	L204-G222 WeakPolarHBondContact O-CA 3.33Å; G222-L264 PolarHBondContact O-N 3.42Å
223	F	98.9	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.1	-178	-58.8	-91.2	0	0	0	110.6	A177 Y184 F203 L204 A206 T208 T221 V225 I258 N262 V263	A177-F223 HydrophobicContact CB-CE2 3.77Å; A177-F223 HydrophobicContact CB-CZ 3.67Å; Y184-F223 AromaticContact CD1-CE1 4Å; Y184-F223 HydrophobicContact CD1-CE1 4Å; Y184-F223 AromaticContact CD1-CZ 3.89Å; Y184-F223 HydrophobicContact CD1-CZ 3.89Å; Y184-F223 AromaticContact CD2-CE1 3.74Å; Y184-F223 HydrophobicContact CD2-CE1 3.74Å; Y184-F223 HydrophobicContact CD2-CZ 4.45Å; Y184-F223 HydrophobicContact CE1-CE1 4.48Å; Y184-F223 HydrophobicContact CE1-CZ 4.32Å; Y184-F223 HydrophobicContact CE2-CE1 4.26Å; Y184-F223 AromaticContact CG-CE1 3.6Å; Y184-F223 HydrophobicContact CG-CE1 3.6Å; Y184-F223 AromaticContact CG-CZ 3.96Å; Y184-F223 HydrophobicContact CG-CZ 3.96Å; F203-F223 CarbonylContact C-O 3.58Å; F203-F223 WeakPolarHBondContact CA-O 3.47Å; L204-F223 HydrophobicContact CB-CB 4.38Å; L204-F223 PolarHBondContact N-O 3.47Å; L204-F223 PolarHBondContact O-N 3.01Å; A206-F223 HydrophobicContact CB-CD2 4.38Å; A206-F223 HydrophobicContact CB-CE2 4.05Å; T208-F223 HydrophobicContact CG2-CE2 4.31Å; T208-F223 HydrophobicContact CG2-CZ 3.94Å; T221-F223 HydrophobicContact CG2-CD2 4.3Å; T221-F223 HydrophobicContact CG2-CE1 3.93Å; T221-F223 HydrophobicContact CG2-CE2 3.66Å; T221-F223 HydrophobicContact CG2-CZ 3.45Å; T221-F223 VanDerWaalsContact CG2-CZ 3.45Å; T221-F223 WeakPolarHBondContact O-CD2 3Å; T221-F223 WeakPolarHBondContact O-CE2 3.45Å; F223-V225 HydrophobicContact CB-CG2 4.09Å; F223-I258 HydrophobicContact CB-CD1 4.05Å; F223-I258 HydrophobicContact CB-CG2 4.39Å; F223-I258 HydrophobicContact CD1-CB 4.47Å; F223-I258 HydrophobicContact CD1-CD1 4.13Å; F223-I258 HydrophobicContact CD1-CG2 3.95Å; F223-I258 HydrophobicContact CG-CD1 4.05Å; F223-N262 WeakPolarHBondContact CA-O 3.28Å; F223-V263 HydrophobicContact CD1-CG2 3.88Å; F223-V263 HydrophobicContact CE1-CG2 3.64Å
224	I	98.9	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132	159	-50.2	171.5	0	0	0	108	V134 Q142 Y146 W201 Y202 N262 L264	V134-I224 HydrophobicContact CG1-CD1 4.04Å; V134-I224 HydrophobicContact CG2-CD1 3.67Å; V134-I224 HydrophobicContact CG2-CG1 3.9Å; Q142-I224 HydrophobicContact CB-CD1 4.07Å; Q142-I224 HydrophobicContact CG-CD1 4.26Å; Y146-I224 HydrophobicContact CD1-CG2 3.41Å; Y146-I224 VanDerWaalsContact CD1-CG2 3.41Å; Y146-I224 HydrophobicContact CD2-CB 4.39Å; Y146-I224 HydrophobicContact CD2-CD1 3.43Å; Y146-I224 VanDerWaalsContact CD2-CD1 3.43Å; Y146-I224 HydrophobicContact CD2-CG1 4.49Å; Y146-I224 HydrophobicContact CD2-CG2 3.9Å; Y146-I224 HydrophobicContact CE1-CB 4.38Å; Y146-I224 HydrophobicContact CE1-CG2 3.37Å; Y146-I224 HydrophobicContact CE2-CB 4.15Å; Y146-I224 HydrophobicContact CE2-CD1 3.78Å; Y146-I224 HydrophobicContact CE2-CG2 3.87Å; Y146-I224 HydrophobicContact CG-CD1 4Å; Y146-I224 HydrophobicContact CG-CG2 3.69Å; W201-I224 HydrophobicContact CB-CG2 4.5Å; W201-I224 HydrophobicContact CD2-CG2 4.24Å; W201-I224 HydrophobicContact CE3-CG2 3.75Å; W201-I224 HydrophobicContact CZ3-CG2 4.35Å; Y202-I224 CarbonylContact O-C 3.58Å; Y202-I224 WeakPolarHBondContact O-CA 3.32Å; I224-N262 HydrophobicContact CB-CB 4.45Å; I224-N262 PolarHBondContact N-O 3.04Å; I224-N262 VanDerWaalsContact O-CB 3.27Å; I224-N262 WeakPolarHBondContact O-CB 3.13Å; I224-N262 PolarHBondContact O-ND2 3.17Å; I224-L264 HydrophobicContact CD1-CD2 4.01Å; I224-L264 HydrophobicContact CG1-CD1 4.43Å; I224-L264 HydrophobicContact CG1-CD2 4.17Å; I224-L264 HydrophobicContact CG1-CG 4.24Å
225	V	98.8	Very high	98.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	116.8	-176.4	-167	0	0	0	0	109.6	W201 Y202 L204 F223 I232 V256 I258	W201-V225 CarbonylContact C-O 3.58Å; W201-V225 WeakPolarHBondContact CA-O 3.46Å; W201-V225 WeakPolarHBondContact CB-O 3.47Å; Y202-V225 PolarHBondContact N-O 2.9Å; Y202-V225 PolarHBondContact O-N 3.45Å; L204-V225 HydrophobicContact CB-CG2 3.79Å; L204-V225 HydrophobicContact CD2-CG2 3.91Å; F223-V225 HydrophobicContact CB-CG2 4.09Å; V225-I232 HydrophobicContact CG1-CD1 3.75Å; V225-V256 HydrophobicContact CG1-CG1 4.18Å; V225-I258 HydrophobicContact CG1-CD1 4.38Å; V225-I258 HydrophobicContact CG1-CG1 4.24Å; V225-I258 HydrophobicContact CG2-CD1 3.47Å; V225-I258 VanDerWaalsContact CG2-CD1 3.47Å; V225-I258 HydrophobicContact CG2-CG1 4.06Å
226	D	98.8	Very high	98.2	Very high	32 Å²	32	47.6 Å²	47.6	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.1	173.3	-68	-63.8	0	0	0	109.7	Y146 R149 D228 S229 I232	Y146-D226 WeakPolarHBondContact CE1-OD1 3.41Å; Y146-D226 PolarHBondContact OH-OD2 3.28Å; R149-D226 IonicContact CZ-OD1 3.88Å; R149-D226 IonicContact NH1-OD1 3.64Å; R149-D226 PolarHBondContact NH1-OD1 3.21Å; R149-D226 IonicContact NH2-OD1 2.89Å; R149-D226 PolarHBondContact NH2-OD1 3.04Å; D226-D228 WeakPolarHBondContact CB-OD1 3.46Å; D226-D228 PolarHBondContact O-N 3.02Å; D226-S229 VanDerWaalsContact O-CB 3.3Å; D226-S229 WeakPolarHBondContact O-CB 3.23Å; D226-S229 PolarHBondContact O-N 3.28Å; D226-S229 VanDerWaalsContact O-N 3.12Å; D226-S229 PolarHBondContact O-OG 2.86Å; D226-I232 WeakPolarHBondContact O-CD1 3.28Å
227	A	98.6	Very high	98.4	Very high	21 Å²	21	47.5 Å²	47.5	17%	0.174	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.6	-167.1	0	0	0	0	0	114.6	A199 N200 Y202	A199-A227 WeakPolarHBondContact O-CB 3.27Å; N200-A227 VanDerWaalsContact O-CB 3.25Å; N200-A227 WeakPolarHBondContact O-CB 3.47Å; N200-A227 PolarHBondContact O-N 3.35Å; Y202-A227 HydrophobicContact CD2-CB 4.2Å; Y202-A227 HydrophobicContact CE2-CB 3.44Å; Y202-A227 VanDerWaalsContact CE2-CB 3.44Å
228	D	98.4	Very high	98.6	Very high	139 Å²	139	45.6 Å²	45.6	74%	0.743	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	4.3	175	64	-16.3	0	0	0	113.4	D226	D226-D228 WeakPolarHBondContact CB-OD1 3.46Å; D226-D228 PolarHBondContact O-N 3.02Å
229	S	98.7	Very high	98.7	Very high	23 Å²	23	46.7 Å²	46.7	16%	0.161	26%	0.258	C	S	.	.			trans	-56.2	129.2	175.8	-58.5	0	0	0	0	110.7	D226 G231 I232	D226-S229 VanDerWaalsContact O-CB 3.3Å; D226-S229 WeakPolarHBondContact O-CB 3.23Å; D226-S229 PolarHBondContact O-N 3.28Å; D226-S229 VanDerWaalsContact O-N 3.12Å; D226-S229 PolarHBondContact O-OG 2.86Å; S229-G231 PolarHBondContact O-N 3.36Å; S229-I232 WeakPolarHBondContact O-CG1 3.23Å; S229-I232 PolarHBondContact O-N 2.97Å
230	P	98.8	Very high	98.7	Very high	116 Å²	116	49.5 Å²	49.5	75%	0.753	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	137.4	176.9	-26.9	34.9	0	0	0	112
231	G	98.6	Very high	98.8	Very high	27 Å²	27	54.7 Å²	54.7	28%	0.278	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	94	-7.4	-177.6	0	0	0	0	0	114.6	S229 E254 V256	S229-G231 PolarHBondContact O-N 3.36Å; G231-E254 VanDerWaalsContact CA-O 3.27Å; G231-E254 WeakPolarHBondContact CA-O 3.23Å; G231-E254 PolarHBondContact O-N 3.42Å; G231-V256 WeakPolarHBondContact O-CG2 3.48Å
232	I	98.9	Very high	98.8	Very high	22 Å²	22	55.3 Å²	55.3	11%	0.113	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.8	169.8	-62.8	179.9	0	0	0	109.2	Y202 V225 D226 S229 V234 I251 F253 V256	Y202-I232 HydrophobicContact CD2-CD1 4.43Å; Y202-I232 HydrophobicContact CE2-CD1 4.28Å; Y202-I232 HydrophobicContact CE2-CG2 4.42Å; V225-I232 HydrophobicContact CG1-CD1 3.75Å; D226-I232 WeakPolarHBondContact O-CD1 3.28Å; S229-I232 WeakPolarHBondContact O-CG1 3.23Å; S229-I232 PolarHBondContact O-N 2.97Å; I232-V234 HydrophobicContact CG2-CG2 4.35Å; I232-I251 HydrophobicContact CG2-CG2 3.84Å; I232-F253 HydrophobicContact CD1-CD1 4.48Å; I232-F253 HydrophobicContact CD1-CE1 4.14Å; I232-F253 HydrophobicContact CG1-CD1 4.01Å; I232-F253 HydrophobicContact CG1-CE1 4.09Å; I232-V256 HydrophobicContact CD1-CG1 4.39Å; I232-V256 HydrophobicContact CG1-CG1 4.06Å; I232-V256 HydrophobicContact CG1-CG2 3.72Å
233	L	98.8	Very high	98.8	Very high	83 Å²	83	56 Å²	56	44%	0.435	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.1	176.3	-52.7	176.2	0	0	0	109.1	T252 E254	L233-T252 PolarHBondContact N-O 3Å; L233-T252 PolarHBondContact O-N 3.34Å; L233-E254 HydrophobicContact CD1-CG 4.34Å; L233-E254 WeakPolarHBondContact CD1-OE1 3.45Å
234	V	98.8	Very high	98.8	Very high	63 Å²	63	60 Å²	60	38%	0.382	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.5	176.6	179.8	0	0	0	0	109.3	I232 R249	I232-V234 HydrophobicContact CG2-CG2 4.35Å; V234-R249 VanDerWaalsContact CG1-CD 3.46Å
235	G	98.7	Very high	98.8	Very high	30 Å²	30	60.1 Å²	60.1	31%	0.309	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-176.1	178.2	0	0	0	0	0	113.9	R249 G250	G235-R249 WeakPolarHBondContact O-CD 3.15Å; G235-R249 PolarHBondContact O-NH1 2.95Å; G235-G250 WeakPolarHBondContact CA-O 3.16Å; G235-G250 PolarHBondContact N-O 2.81Å
236	R	98.8	Very high	98.8	Very high	180 Å²	180	60.3 Å²	60.3	68%	0.679	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	161.3	171.3	70.1	-178.5	-173.5	175.9	7.3	111.3	E238 R249	R236-E238 VanDerWaalsContact CG-OE1 3.25Å; R236-E238 WeakPolarHBondContact CG-OE1 3.44Å; R236-E238 IonicContact CZ-OE1 3.52Å; R236-E238 IonicContact CZ-OE2 3.56Å; R236-E238 IonicContact NE-OE1 3.57Å; R236-E238 PolarHBondContact NE-OE1 2.97Å; R236-E238 IonicContact NE-OE2 2.81Å; R236-E238 PolarHBondContact NE-OE2 3.05Å; R236-E238 IonicContact NH2-OE1 3.25Å; R236-E238 IonicContact NH2-OE2 2.71Å; R236-E238 PolarHBondContact NH2-OE2 2.91Å; R236-E238 PolarHBondContact O-N 3.14Å; R236-R249 WeakPolarHBondContact O-CG 3.31Å
237	K	98.8	Very high	98.8	Very high	49 Å²	49	58.9 Å²	58.9	21%	0.213	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126	164	-179.4	-179.8	161.3	96.7	0	108.7	G72 R244 S246	G72-K237 WeakPolarHBondContact O-CE 3.43Å; G72-K237 PolarHBondContact O-NZ 3.12Å; K237-R244 WeakPolarHBondContact CE-O 3.33Å; K237-R244 PolarHBondContact NZ-O 2.72Å; K237-S246 PolarHBondContact NZ-O 3.14Å
238	E	98.8	Very high	98.8	Very high	34 Å²	34	58.6 Å²	58.6	16%	0.159	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-78.9	142.9	175.1	-64.8	-55.9	135.2	0	0	111.3	M191 W192 R236 T248	M191-E238 HydrophobicContact CE-CG 3.97Å; W192-E238 HydrophobicContact CE3-CG 4.43Å; W192-E238 HydrophobicContact CZ3-CB 3.89Å; W192-E238 HydrophobicContact CZ3-CG 3.85Å; R236-E238 VanDerWaalsContact CG-OE1 3.25Å; R236-E238 WeakPolarHBondContact CG-OE1 3.44Å; R236-E238 IonicContact CZ-OE1 3.52Å; R236-E238 IonicContact CZ-OE2 3.56Å; R236-E238 IonicContact NE-OE1 3.57Å; R236-E238 PolarHBondContact NE-OE1 2.97Å; R236-E238 IonicContact NE-OE2 2.81Å; R236-E238 PolarHBondContact NE-OE2 3.05Å; R236-E238 IonicContact NH2-OE1 3.25Å; R236-E238 IonicContact NH2-OE2 2.71Å; R236-E238 PolarHBondContact NH2-OE2 2.91Å; R236-E238 PolarHBondContact O-N 3.14Å; E238-T248 PolarHBondContact N-O 3.26Å
239	L	98.6	Very high	98.8	Very high	160 Å²	160	54.2 Å²	54.2	84%	0.838	29%	0.287	S	S	*	.			trans	-99.6	93.6	-178.3	-59.8	-179.6	0	0	0	109.7
240	N	98.8	Very high	98.8	Very high	60 Å²	60	53.5 Å²	53.5	32%	0.321	28%	0.283	S	S	.	.			trans	-92.6	166.9	-177.6	-62.1	-31.6	0	0	0	112.3	R244	N240-R244 WeakPolarHBondContact O-CG 3.39Å
241	M	98.9	Very high	98.8	Very high	108 Å²	108	48.1 Å²	48.1	53%	0.532	25%	0.248	S	C	.	.	S	Bend	trans	-63.2	-45.5	179.2	-176.8	176.1	75.5	0	0	113.1	R393 K396	M241-R393 WeakPolarHBondContact CE-O 3.42Å; M241-R393 HydrophobicContact CG-CB 4.09Å; M241-R393 HydrophobicContact CG-CG 3.93Å; M241-R393 WeakPolarHBondContact O-CD 3.37Å; M241-R393 PolarHBondContact O-NH1 3.48Å; M241-R393 VanDerWaalsContact O-NH1 3.09Å; M241-K396 HydrophobicContact CE-CB 3.24Å; M241-K396 HydrophobicContact CE-CG 3.61Å
242	G	98.8	Very high	98.8	Very high	13 Å²	13	48.6 Å²	48.6	13%	0.134	25%	0.245	C	C	.	.	S	Bend	trans	-132.9	175.4	-177.1	0	0	0	0	0	111.7	R244 D394	G242-R244 PolarHBondContact O-N 3.06Å; G242-D394 VanDerWaalsContact CA-OD1 3.3Å; G242-D394 WeakPolarHBondContact CA-OD1 3.18Å
243	Q	98.9	Very high	98.8	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.075	24%	0.241	C	C	.	.			trans	52.6	36.5	-174.1	-64	-174.1	-18.1	0	0	112.4	T118 T122 C245 S246 D394 I397	T118-Q243 PolarHBondContact OG1-NE2 3.1Å; T122-Q243 PolarHBondContact OG1-NE2 2.83Å; T122-Q243 PolarHBondContact OG1-OE1 3.01Å; Q243-C245 PolarHBondContact O-N 2.75Å; Q243-C245 VanDerWaalsContact O-N 3.11Å; Q243-S246 WeakPolarHBondContact O-CB 3.4Å; Q243-S246 PolarHBondContact O-N 3.26Å; Q243-D394 HydrophobicContact CG-CB 4.37Å; Q243-D394 PolarHBondContact N-OD1 2.68Å; Q243-I397 HydrophobicContact CG-CG2 4.28Å
244	R	98.9	Very high	98.8	Very high	83 Å²	83	48.9 Å²	48.9	31%	0.313	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.3	-164.5	-62.4	-169.5	-69.9	172.8	-3.7	114.7	D69 K237 N240 G242 S246	D69-R244 VanDerWaalsContact CG-NH2 3.26Å; D69-R244 PolarHBondContact O-NE 3.31Å; D69-R244 PolarHBondContact O-NH2 3.49Å; D69-R244 IonicContact OD1-CZ 3.73Å; D69-R244 IonicContact OD1-NE 3.18Å; D69-R244 PolarHBondContact OD1-NE 2.76Å; D69-R244 IonicContact OD1-NH2 3.4Å; D69-R244 IonicContact OD2-CZ 2.8Å; D69-R244 IonicContact OD2-NE 2.75Å; D69-R244 IonicContact OD2-NH2 3.07Å; D69-R244 PolarHBondContact OD2-NH2 2.72Å; K237-R244 WeakPolarHBondContact CE-O 3.33Å; K237-R244 PolarHBondContact NZ-O 2.72Å; N240-R244 WeakPolarHBondContact O-CG 3.39Å; G242-R244 PolarHBondContact O-N 3.06Å; R244-S246 VanDerWaalsContact C-N 3.33Å
245	C	98.8	Very high	98.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.6	175.2	66	0	0	0	0	113.5	Y68 E73 P75 Q243	Y68-C245 HydrophobicContact CG-CB 4.5Å; E73-C245 WeakPolarHBondContact O-CA 3.38Å; E73-C245 VanDerWaalsContact O-CB 3.27Å; E73-C245 WeakPolarHBondContact O-CB 3.38Å; P75-C245 WeakPolarHBondContact CD-O 3.37Å; Q243-C245 PolarHBondContact O-N 2.75Å; Q243-C245 VanDerWaalsContact O-N 3.11Å
246	S	98.9	Very high	98.8	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.035	24%	0.237	C	C	.	.	S	Bend	trans	-63.7	143.1	170.7	-172.7	0	0	0	0	110.6	K237 Q243 R244	K237-S246 PolarHBondContact NZ-O 3.14Å; Q243-S246 WeakPolarHBondContact O-CB 3.4Å; Q243-S246 PolarHBondContact O-N 3.26Å; R244-S246 VanDerWaalsContact C-N 3.33Å
247	D	98.9	Very high	98.8	Very high	2 Å²	2	48 Å²	48	1%	0.011	23%	0.232	C	C	.	.			trans	-88.4	121.7	174.2	-174.9	84.6	0	0	0	108.9	Y74 T194 N195 G196 G197 K198 R249	Y74-D247 HydrophobicContact CD2-CB 3.74Å; Y74-D247 HydrophobicContact CE2-CB 3.84Å; T194-D247 CarbonylContact C-O 3.55Å; T194-D247 VanDerWaalsContact CA-O 3.23Å; T194-D247 WeakPolarHBondContact CA-O 3.46Å; N195-D247 PolarHBondContact N-O 2.87Å; G196-D247 PolarHBondContact N-OD2 2.93Å; G197-D247 WeakPolarHBondContact CA-OD2 3.2Å; G197-D247 PolarHBondContact N-OD2 2.9Å; K198-D247 HydrophobicContact CG-CB 3.91Å; D247-R249 IonicContact OD1-CZ 2.7Å; D247-R249 IonicContact OD1-NE 3.4Å; D247-R249 PolarHBondContact OD1-NE 3.35Å; D247-R249 IonicContact OD1-NH2 2.73Å; D247-R249 PolarHBondContact OD1-NH2 3Å; D247-R249 IonicContact OD2-NE 3.76Å; D247-R249 PolarHBondContact OD2-NE 3.5Å
248	T	98.9	Very high	98.8	Very high	15 Å²	15	45.8 Å²	45.8	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.5	178.1	-54.9	0	0	0	0	109.2	W192 I193 E238	W192-T248 HydrophobicContact CB-CG2 4.29Å; W192-T248 HydrophobicContact CE3-CG2 4.09Å; I193-T248 WeakPolarHBondContact O-CA 3.39Å; E238-T248 PolarHBondContact N-O 3.26Å
249	R	98.9	Very high	98.8	Very high	48 Å²	48	46.3 Å²	46.3	18%	0.181	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.5	-170.7	-54.3	-165.8	175.5	-131.2	0.5	113.3	W192 I193 V234 G235 R236 D247	W192-R249 PolarHBondContact N-O 3.18Å; I193-R249 PolarHBondContact N-O 3.08Å; I193-R249 PolarHBondContact O-N 3.13Å; I193-R249 VanDerWaalsContact O-N 3.13Å; V234-R249 VanDerWaalsContact CG1-CD 3.46Å; G235-R249 WeakPolarHBondContact O-CD 3.15Å; G235-R249 PolarHBondContact O-NH1 2.95Å; R236-R249 WeakPolarHBondContact O-CG 3.31Å; D247-R249 IonicContact OD1-CZ 2.7Å; D247-R249 IonicContact OD1-NE 3.4Å; D247-R249 PolarHBondContact OD1-NE 3.35Å; D247-R249 IonicContact OD1-NH2 2.73Å; D247-R249 PolarHBondContact OD1-NH2 3Å; D247-R249 IonicContact OD2-NE 3.76Å; D247-R249 PolarHBondContact OD2-NE 3.5Å
250	G	98.9	Very high	98.8	Very high	8 Å²	8	44 Å²	44	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	148.4	155.6	0	0	0	0	0	110.9	K190 G235	K190-G250 CarbonylContact O-C 3.55Å; K190-G250 WeakPolarHBondContact O-CA 3.2Å; G235-G250 WeakPolarHBondContact CA-O 3.16Å; G235-G250 PolarHBondContact N-O 2.81Å
251	I	98.9	Very high	98.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.8	175.6	-51.5	-176.9	0	0	0	108.2	Q189 K190 I193 Y202 I232 F253	Q189-I251 CarbonylContact C-O 3.43Å; Q189-I251 WeakPolarHBondContact CA-O 3.39Å; K190-I251 PolarHBondContact N-O 2.86Å; K190-I251 PolarHBondContact O-N 2.86Å; I193-I251 HydrophobicContact CB-CD1 3.97Å; I193-I251 HydrophobicContact CB-CG1 4.32Å; I193-I251 HydrophobicContact CG1-CD1 4.18Å; I193-I251 HydrophobicContact CG1-CG1 4.28Å; I193-I251 HydrophobicContact CG2-CD1 3.82Å; Y202-I251 HydrophobicContact CD1-CD1 3.98Å; Y202-I251 HydrophobicContact CE1-CD1 3.37Å; I232-I251 HydrophobicContact CG2-CG2 3.84Å; I251-F253 HydrophobicContact CB-CE2 4.07Å; I251-F253 HydrophobicContact CB-CZ 4.42Å; I251-F253 HydrophobicContact CG2-CD2 4.37Å; I251-F253 HydrophobicContact CG2-CE1 4.42Å; I251-F253 HydrophobicContact CG2-CE2 3.67Å; I251-F253 HydrophobicContact CG2-CZ 3.71Å
252	T	98.9	Very high	98.7	Very high	37 Å²	37	40.5 Å²	40.5	23%	0.227	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.7	175.1	-54.7	0	0	0	0	109.5	L233 E254	L233-T252 PolarHBondContact N-O 3Å; L233-T252 PolarHBondContact O-N 3.34Å; T252-E254 HydrophobicContact CG2-CG 3.97Å
253	F	98.9	Very high	98.7	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.8	175.3	-59.2	-99	0	0	0	107.1	V186 N187 G188 K190 L204 I232 I251 V256	V186-F253 HydrophobicContact CG1-CB 3.96Å; V186-F253 HydrophobicContact CG1-CD1 4.49Å; V186-F253 HydrophobicContact CG1-CG 4.26Å; N187-F253 VanDerWaalsContact CA-O 3.32Å; N187-F253 WeakPolarHBondContact CA-O 3.41Å; G188-F253 PolarHBondContact N-O 3.22Å; G188-F253 PolarHBondContact O-N 2.93Å; K190-F253 HydrophobicContact CB-CE2 4.25Å; K190-F253 HydrophobicContact CG-CD2 4.47Å; K190-F253 HydrophobicContact CG-CE2 3.73Å; L204-F253 HydrophobicContact CD1-CE1 4.44Å; L204-F253 HydrophobicContact CD1-CE2 4.04Å; L204-F253 HydrophobicContact CD1-CZ 3.9Å; L204-F253 HydrophobicContact CD2-CD1 4.17Å; L204-F253 HydrophobicContact CD2-CE1 3.9Å; L204-F253 HydrophobicContact CD2-CZ 4.19Å; I232-F253 HydrophobicContact CD1-CD1 4.48Å; I232-F253 HydrophobicContact CD1-CE1 4.14Å; I232-F253 HydrophobicContact CG1-CD1 4.01Å; I232-F253 HydrophobicContact CG1-CE1 4.09Å; I251-F253 HydrophobicContact CB-CE2 4.07Å; I251-F253 HydrophobicContact CB-CZ 4.42Å; I251-F253 HydrophobicContact CG2-CD2 4.37Å; I251-F253 HydrophobicContact CG2-CE1 4.42Å; I251-F253 HydrophobicContact CG2-CE2 3.67Å; I251-F253 HydrophobicContact CG2-CZ 3.71Å; F253-V256 HydrophobicContact CB-CB 4.4Å; F253-V256 HydrophobicContact CB-CG2 3.86Å; F253-V256 HydrophobicContact CD1-CB 4.29Å; F253-V256 HydrophobicContact CD1-CG1 4.41Å; F253-V256 HydrophobicContact CD1-CG2 3.97Å; F253-V256 HydrophobicContact CG-CG2 4.39Å
254	E	98.8	Very high	98.7	Very high	109 Å²	109	39.9 Å²	39.9	51%	0.509	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	105.4	177.5	-69.1	179	-174.2	0	0	109.2	G231 L233 T252 V256	G231-E254 VanDerWaalsContact CA-O 3.27Å; G231-E254 WeakPolarHBondContact CA-O 3.23Å; G231-E254 PolarHBondContact O-N 3.42Å; L233-E254 HydrophobicContact CD1-CG 4.34Å; L233-E254 WeakPolarHBondContact CD1-OE1 3.45Å; T252-E254 HydrophobicContact CG2-CG 3.97Å; E254-V256 PolarHBondContact O-N 3.3Å; E254-V256 VanDerWaalsContact O-N 3.12Å
255	D	98.6	Very high	98.7	Very high	101 Å²	101	41.9 Å²	41.9	54%	0.54	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	49.9	35.6	-177.3	-67	-42.9	0	0	0	114.8	V185 V186 N187 R257	V185-D255 HydrophobicContact CG1-CB 4.07Å; V186-D255 PolarHBondContact O-N 2.9Å; N187-D255 PolarHBondContact ND2-OD1 3.13Å; N187-D255 PolarHBondContact OD1-N 2.84Å; D255-R257 PolarHBondContact O-N 3.19Å
256	V	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	122.6	-179.2	176.8	0	0	0	0	109.7	V185 V186 V225 G231 I232 F253 E254 I258	V185-V256 CarbonylContact C-O 3.57Å; V185-V256 WeakPolarHBondContact CA-O 3.4Å; V186-V256 HydrophobicContact CB-CB 4.41Å; V186-V256 PolarHBondContact N-O 3.32Å; V186-V256 PolarHBondContact O-N 3.06Å; V186-V256 VanDerWaalsContact O-N 3.08Å; V225-V256 HydrophobicContact CG1-CG1 4.18Å; G231-V256 WeakPolarHBondContact O-CG2 3.48Å; I232-V256 HydrophobicContact CD1-CG1 4.39Å; I232-V256 HydrophobicContact CG1-CG1 4.06Å; I232-V256 HydrophobicContact CG1-CG2 3.72Å; F253-V256 HydrophobicContact CB-CB 4.4Å; F253-V256 HydrophobicContact CB-CG2 3.86Å; F253-V256 HydrophobicContact CD1-CB 4.29Å; F253-V256 HydrophobicContact CD1-CG1 4.41Å; F253-V256 HydrophobicContact CD1-CG2 3.97Å; F253-V256 HydrophobicContact CG-CG2 4.39Å; E254-V256 PolarHBondContact O-N 3.3Å; E254-V256 VanDerWaalsContact O-N 3.12Å; V256-I258 HydrophobicContact CG1-CG1 4.33Å
257	R	98.8	Very high	98.6	Very high	154 Å²	154	47.8 Å²	47.8	58%	0.581	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.4	179.7	-69.2	171.6	174.5	-105.7	4.1	110.7	E183 Y184 V185 D255	E183-R257 WeakPolarHBondContact OE2-CD 3.27Å; E183-R257 IonicContact OE2-CZ 3.72Å; E183-R257 IonicContact OE2-NH1 2.67Å; E183-R257 PolarHBondContact OE2-NH1 3.2Å; Y184-R257 CarbonylContact O-C 3.59Å; Y184-R257 WeakPolarHBondContact O-CA 3.46Å; V185-R257 HydrophobicContact CG2-CG 4.28Å; D255-R257 PolarHBondContact O-N 3.19Å
258	I	98.6	Very high	98.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.4	178.6	-54.8	169.3	0	0	0	108.3	E183 Y184 V186 L204 F223 V225 V256 N262	E183-I258 CarbonylContact C-O 3.52Å; E183-I258 VanDerWaalsContact CA-O 3.29Å; E183-I258 WeakPolarHBondContact CA-O 3.46Å; Y184-I258 PolarHBondContact N-O 3.22Å; Y184-I258 PolarHBondContact O-N 3.26Å; V186-I258 HydrophobicContact CB-CD1 4.37Å; V186-I258 HydrophobicContact CG2-CD1 3.4Å; V186-I258 HydrophobicContact CG2-CG1 4.26Å; L204-I258 HydrophobicContact CD2-CD1 4.27Å; F223-I258 HydrophobicContact CB-CD1 4.05Å; F223-I258 HydrophobicContact CB-CG2 4.39Å; F223-I258 HydrophobicContact CD1-CB 4.47Å; F223-I258 HydrophobicContact CD1-CD1 4.13Å; F223-I258 HydrophobicContact CD1-CG2 3.95Å; F223-I258 HydrophobicContact CG-CD1 4.05Å; V225-I258 HydrophobicContact CG1-CD1 4.38Å; V225-I258 HydrophobicContact CG1-CG1 4.24Å; V225-I258 HydrophobicContact CG2-CD1 3.47Å; V225-I258 VanDerWaalsContact CG2-CD1 3.47Å; V225-I258 HydrophobicContact CG2-CG1 4.06Å; V256-I258 HydrophobicContact CG1-CG1 4.33Å; I258-N262 HydrophobicContact CG2-CB 3.69Å
259	P	98.3	Very high	98.5	Very high	45 Å²	45	48.5 Å²	48.5	29%	0.292	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.3	179.6	30.4	-36.3	0	0	0	111.1	E261 N262	P259-E261 HydrophobicContact CB-CG 4.07Å; P259-E261 HydrophobicContact CG-CG 4.04Å; P259-E261 PolarHBondContact O-N 3.12Å; P259-N262 HydrophobicContact CG-CB 4.31Å; P259-N262 WeakPolarHBondContact O-CB 3.5Å; P259-N262 PolarHBondContact O-N 3.25Å
260	K	97.9	Very high	98.5	Very high	111 Å²	111	46.2 Å²	46.2	48%	0.483	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-55.7	-27	-179.8	67.3	-177	176	-169.9	0	114	D182 N262 V263	D182-K260 HydrophobicContact CB-CD 4.14Å; D182-K260 VanDerWaalsContact CG-NZ 3.27Å; D182-K260 VanDerWaalsContact O-CB 3.28Å; D182-K260 WeakPolarHBondContact O-CB 3.2Å; D182-K260 WeakPolarHBondContact O-CG 3.28Å; D182-K260 PolarHBondContact O-N 2.9Å; D182-K260 WeakPolarHBondContact OD1-CE 3.1Å; D182-K260 IonicContact OD1-NZ 2.71Å; D182-K260 PolarHBondContact OD1-NZ 2.84Å; D182-K260 IonicContact OD2-NZ 3.57Å; K260-N262 PolarHBondContact O-N 3.23Å; K260-V263 WeakPolarHBondContact O-CB 3.35Å; K260-V263 WeakPolarHBondContact O-CG2 3.47Å; K260-V263 PolarHBondContact O-N 3.2Å
261	E	98.3	Very high	98.4	Very high	92 Å²	92	48 Å²	48	43%	0.43	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-67.2	-16.3	177.5	70	-178.5	-143.1	0	0	113.4	F141 Q142 K145 P259	F141-E261 HydrophobicContact CE1-CB 4.45Å; F141-E261 HydrophobicContact CE1-CG 4.25Å; Q142-E261 PolarHBondContact NE2-O 2.68Å; K145-E261 IonicContact NZ-OE1 3.39Å; P259-E261 HydrophobicContact CB-CG 4.07Å; P259-E261 HydrophobicContact CG-CG 4.04Å; P259-E261 PolarHBondContact O-N 3.12Å
262	N	98.7	Very high	98.3	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-91.4	2.6	176.6	-80.5	12.4	0	0	0	113.2	Y146 F223 I224 I258 P259 K260	Y146-N262 PolarHBondContact OH-ND2 2.86Å; Y146-N262 PolarHBondContact OH-OD1 3.47Å; F223-N262 WeakPolarHBondContact CA-O 3.28Å; I224-N262 HydrophobicContact CB-CB 4.45Å; I224-N262 PolarHBondContact N-O 3.04Å; I224-N262 VanDerWaalsContact O-CB 3.27Å; I224-N262 WeakPolarHBondContact O-CB 3.13Å; I224-N262 PolarHBondContact O-ND2 3.17Å; I258-N262 HydrophobicContact CG2-CB 3.69Å; P259-N262 HydrophobicContact CG-CB 4.31Å; P259-N262 WeakPolarHBondContact O-CB 3.5Å; P259-N262 PolarHBondContact O-N 3.25Å; K260-N262 PolarHBondContact O-N 3.23Å
263	V	98.8	Very high	98.2	Very high	16 Å²	16	54.6 Å²	54.6	10%	0.097	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-76	125.7	173.2	177.4	0	0	0	0	109.8	Q142 Y184 T221 F223 K260	Q142-V263 PolarHBondContact NE2-O 2.76Å; Y184-V263 HydrophobicContact CD2-CG2 3.98Å; Y184-V263 HydrophobicContact CE2-CG2 3.6Å; T221-V263 HydrophobicContact CG2-CG1 3.6Å; T221-V263 HydrophobicContact CG2-CG2 4.5Å; F223-V263 HydrophobicContact CD1-CG2 3.88Å; F223-V263 HydrophobicContact CE1-CG2 3.64Å; K260-V263 WeakPolarHBondContact O-CB 3.35Å; K260-V263 WeakPolarHBondContact O-CG2 3.47Å; K260-V263 PolarHBondContact O-N 3.2Å
264	L	98.8	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-81	122.5	175.4	-68.3	173	0	0	0	110.4	P133 V134 A137 F203 G222 I224 G266 I273	P133-L264 HydrophobicContact CB-CD1 3.9Å; V134-L264 HydrophobicContact CG2-CD2 4.45Å; A137-L264 HydrophobicContact CB-CB 4.41Å; F203-L264 HydrophobicContact CD2-CD1 3.74Å; F203-L264 HydrophobicContact CE2-CD1 3.81Å; G222-L264 PolarHBondContact O-N 3.42Å; I224-L264 HydrophobicContact CD1-CD2 4.01Å; I224-L264 HydrophobicContact CG1-CD1 4.43Å; I224-L264 HydrophobicContact CG1-CD2 4.17Å; I224-L264 HydrophobicContact CG1-CG 4.24Å; L264-G266 PolarHBondContact O-N 2.85Å; L264-I273 HydrophobicContact CB-CD1 3.74Å
265	I	98.4	Very high	97.8	Very high	124 Å²	124	52.1 Å²	52.1	64%	0.636	26%	0.257	S	S	*	.	S	Bend	trans	61.7	-58.5	-174	-65.3	172.3	0	0	0	114	A137 A269 I273	A137-I265 HydrophobicContact CB-CD1 3.61Å; A137-I265 HydrophobicContact CB-CG1 3.84Å; A137-I265 WeakPolarHBondContact O-CG1 3.38Å; I265-A269 HydrophobicContact CB-CB 3.86Å; I265-A269 HydrophobicContact CG2-CB 3.78Å; I265-I273 HydrophobicContact CB-CD1 4.39Å; I265-I273 HydrophobicContact CD1-CD1 4.06Å; I265-I273 HydrophobicContact CD1-CG1 4.06Å; I265-I273 HydrophobicContact CG1-CD1 4.35Å
266	G	97.8	Very high	97.7	Very high	24 Å²	24	48.8 Å²	48.8	25%	0.247	25%	0.246	C	C	.	.	S	Bend	trans	161.8	173.4	-175	0	0	0	0	0	112	L264 G268 A269	L264-G266 PolarHBondContact O-N 2.85Å; G266-G268 PolarHBondContact O-N 3.25Å; G266-A269 WeakPolarHBondContact O-CB 3.31Å; G266-A269 PolarHBondContact O-N 3.44Å
267	E	97.6	Very high	97.6	Very high	107 Å²	107	48.8 Å²	48.8	50%	0.5	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	133.7	178.9	-163	171.3	128	0	0	111.4	Y184 T208 T221 A269	Y184-E267 PolarHBondContact OH-OE2 2.82Å; T208-E267 HydrophobicContact CG2-CG 4.27Å; T208-E267 WeakPolarHBondContact OG1-CG 3.25Å; T221-E267 WeakPolarHBondContact OG1-CA 3.49Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 2.79Å
268	G	97.6	Very high	97.5	Very high	11 Å²	11	42.3 Å²	42.3	11%	0.113	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-7.1	-179.7	0	0	0	0	0	115.6	K218 F220 T221 G266 G270	K218-G268 WeakPolarHBondContact CA-O 3.47Å; K218-G268 WeakPolarHBondContact O-CA 3.35Å; F220-G268 CarbonylContact O-C 3.02Å; F220-G268 WeakPolarHBondContact O-CA 3.29Å; F220-G268 PolarHBondContact O-N 3.39Å; T221-G268 PolarHBondContact OG1-N 3.33Å; G266-G268 PolarHBondContact O-N 3.25Å; G268-G270 VanDerWaalsContact C-N 3.32Å; G268-G270 PolarHBondContact O-N 3.17Å
269	A	98.3	Very high	97.3	Very high	21 Å²	21	43.3 Å²	43.3	17%	0.174	23%	0.227	C	C	.	.			trans	-79.2	-12.3	178.7	0	0	0	0	0	114.1	F220 I265 G266 E267 F271 K272 I273	F220-A269 PolarHBondContact O-N 3.15Å; I265-A269 HydrophobicContact CB-CB 3.86Å; I265-A269 HydrophobicContact CG2-CB 3.78Å; G266-A269 WeakPolarHBondContact O-CB 3.31Å; G266-A269 PolarHBondContact O-N 3.44Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 2.79Å; A269-F271 PolarHBondContact O-N 3.03Å; A269-K272 PolarHBondContact O-N 3.32Å; A269-I273 HydrophobicContact CB-CD1 4.04Å; A269-I273 WeakPolarHBondContact O-CG1 3.44Å; A269-I273 PolarHBondContact O-N 2.99Å
270	G	98.3	Very high	97.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-42.1	-165.9	0	0	0	0	0	114.6	L205 F220 G268 K272 I273 A274	L205-G270 VanDerWaalsContact CD1-C 3.41Å; L205-G270 WeakPolarHBondContact CD1-O 3.42Å; F220-G270 WeakPolarHBondContact O-CA 3.27Å; F220-G270 PolarHBondContact O-N 3.31Å; G268-G270 VanDerWaalsContact C-N 3.32Å; G268-G270 PolarHBondContact O-N 3.17Å; G270-K272 PolarHBondContact O-N 3.28Å; G270-I273 PolarHBondContact O-N 3.18Å; G270-A274 PolarHBondContact O-N 3.06Å
271	F	96.8	Very high	97.3	Very high	47 Å²	47	39 Å²	39	21%	0.206	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-40.9	-178.4	-170.8	-96.9	0	0	0	112	V170 T216 F220 A269 I273 A274 M275	V170-F271 HydrophobicContact CB-CE2 4.09Å; V170-F271 HydrophobicContact CG1-CD2 4.09Å; V170-F271 HydrophobicContact CG1-CE2 3.84Å; T216-F271 HydrophobicContact CG2-CD1 3.97Å; T216-F271 HydrophobicContact CG2-CD2 3.44Å; T216-F271 VanDerWaalsContact CG2-CD2 3.44Å; T216-F271 HydrophobicContact CG2-CE1 3.91Å; T216-F271 HydrophobicContact CG2-CE2 3.36Å; T216-F271 HydrophobicContact CG2-CG 3.75Å; T216-F271 HydrophobicContact CG2-CZ 3.61Å; T216-F271 WeakPolarHBondContact O-CB 3.35Å; F220-F271 HydrophobicContact CB-CB 4.48Å; F220-F271 HydrophobicContact CD2-CB 4.27Å; F220-F271 HydrophobicContact CD2-CD2 4.3Å; A269-F271 PolarHBondContact O-N 3.03Å; F271-I273 VanDerWaalsContact C-N 3.34Å; F271-A274 PolarHBondContact O-N 3.33Å; F271-M275 HydrophobicContact CD1-CG 3.99Å; F271-M275 HydrophobicContact CE1-CG 3.64Å; F271-M275 HydrophobicContact CE1-SD 4.38Å; F271-M275 HydrophobicContact CE2-CE 4.31Å; F271-M275 HydrophobicContact CZ-CE 4.35Å; F271-M275 HydrophobicContact CZ-CG 3.97Å; F271-M275 HydrophobicContact CZ-SD 4.14Å; F271-M275 VanDerWaalsContact O-CG 3.3Å; F271-M275 WeakPolarHBondContact O-CG 3.24Å; F271-M275 PolarHBondContact O-N 3.49Å
272	K	96.9	Very high	97.3	Very high	169 Å²	169	35.2 Å²	35.2	74%	0.735	19%	0.186	S	C	*	.	H	α-helix	trans	-65.8	-39.2	177.1	-175.1	-179.8	176.2	-174.7	0	111.3	A269 G270 M275 G276	A269-K272 PolarHBondContact O-N 3.32Å; G270-K272 PolarHBondContact O-N 3.28Å; K272-M275 PolarHBondContact O-N 2.93Å; K272-G276 PolarHBondContact O-N 3.28Å
273	I	98.1	Very high	97.3	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-62.3	-51.2	176.5	-62.7	165.3	0	0	0	110.1	P133 I136 A137 F203 L264 I265 A269 G270 F271 M275 G276 A277	P133-I273 HydrophobicContact CB-CG2 3.69Å; I136-I273 HydrophobicContact CD1-CG2 4.46Å; A137-I273 HydrophobicContact CB-CD1 3.81Å; A137-I273 HydrophobicContact CB-CG1 3.75Å; A137-I273 HydrophobicContact CB-CG2 3.97Å; F203-I273 HydrophobicContact CE2-CG2 4.27Å; L264-I273 HydrophobicContact CB-CD1 3.74Å; I265-I273 HydrophobicContact CB-CD1 4.39Å; I265-I273 HydrophobicContact CD1-CD1 4.06Å; I265-I273 HydrophobicContact CD1-CG1 4.06Å; I265-I273 HydrophobicContact CG1-CD1 4.35Å; A269-I273 HydrophobicContact CB-CD1 4.04Å; A269-I273 WeakPolarHBondContact O-CG1 3.44Å; A269-I273 PolarHBondContact O-N 2.99Å; G270-I273 PolarHBondContact O-N 3.18Å; F271-I273 VanDerWaalsContact C-N 3.34Å; I273-M275 VanDerWaalsContact C-N 3.35Å; I273-M275 PolarHBondContact O-N 2.93Å; I273-G276 PolarHBondContact O-N 3.02Å; I273-A277 PolarHBondContact O-N 3.03Å
274	A	95.8	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-45.7	178.1	0	0	0	0	0	112.1	Y159 L205 G270 F271 A277 F278	Y159-A274 WeakPolarHBondContact OH-CA 3.37Å; Y159-A274 VanDerWaalsContact OH-CB 3.29Å; Y159-A274 WeakPolarHBondContact OH-CB 3.44Å; L205-A274 HydrophobicContact CD2-CB 4.17Å; G270-A274 PolarHBondContact O-N 3.06Å; F271-A274 PolarHBondContact O-N 3.33Å; A274-A277 PolarHBondContact O-N 3.09Å; A274-F278 VanDerWaalsContact O-CD2 3.22Å; A274-F278 WeakPolarHBondContact O-CD2 3.43Å; A274-F278 PolarHBondContact O-N 3.24Å
275	M	93.4	Very high	97.3	Very high	61 Å²	61	34.8 Å²	34.8	30%	0.3	18%	0.183	S	C	.	.	H	α-helix	trans	-67.2	-37.6	177.1	-66.3	-56.4	102.5	0	0	112.9	V170 F271 K272 I273 A277 F278	V170-M275 HydrophobicContact CG1-CE 4.35Å; V170-M275 HydrophobicContact CG2-CE 4.45Å; F271-M275 HydrophobicContact CD1-CG 3.99Å; F271-M275 HydrophobicContact CE1-CG 3.64Å; F271-M275 HydrophobicContact CE1-SD 4.38Å; F271-M275 HydrophobicContact CE2-CE 4.31Å; F271-M275 HydrophobicContact CZ-CE 4.35Å; F271-M275 HydrophobicContact CZ-CG 3.97Å; F271-M275 HydrophobicContact CZ-SD 4.14Å; F271-M275 VanDerWaalsContact O-CG 3.3Å; F271-M275 WeakPolarHBondContact O-CG 3.24Å; F271-M275 PolarHBondContact O-N 3.49Å; K272-M275 PolarHBondContact O-N 2.93Å; I273-M275 VanDerWaalsContact C-N 3.35Å; I273-M275 PolarHBondContact O-N 2.93Å; M275-A277 VanDerWaalsContact C-N 3.34Å; M275-F278 HydrophobicContact CE-CD2 3.79Å; M275-F278 HydrophobicContact CE-CE2 3.54Å; M275-F278 PolarHBondContact O-N 2.9Å; M275-F278 HydrophobicContact SD-CD2 4.26Å
276	G	95.6	Very high	97.4	Very high	30 Å²	30	28.9 Å²	28.9	31%	0.309	15%	0.153	S	C	.	.	H	α-helix	trans	-68.3	-31.8	177.3	0	0	0	0	0	113.2	K272 I273 F278 D279	K272-G276 PolarHBondContact O-N 3.28Å; I273-G276 PolarHBondContact O-N 3.02Å; G276-F278 VanDerWaalsContact C-N 3.34Å; G276-D279 PolarHBondContact O-N 3.43Å
277	A	97.4	Very high	97.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-40.9	173.7	0	0	0	0	0	111.4	M132 P133 I136 I273 A274 M275 D279 K280 T281	M132-A277 HydrophobicContact CB-CB 4.13Å; M132-A277 HydrophobicContact CG-CB 3.93Å; P133-A277 HydrophobicContact CG-CB 4.17Å; I136-A277 HydrophobicContact CD1-CB 4.33Å; I273-A277 PolarHBondContact O-N 3.03Å; A274-A277 PolarHBondContact O-N 3.09Å; M275-A277 VanDerWaalsContact C-N 3.34Å; A277-D279 VanDerWaalsContact C-N 3.27Å; A277-D279 PolarHBondContact O-N 2.84Å; A277-K280 WeakPolarHBondContact O-CA 3.46Å; A277-K280 PolarHBondContact O-N 2.89Å; A277-T281 WeakPolarHBondContact O-CG2 3.19Å; A277-T281 PolarHBondContact O-N 3.44Å; A277-T281 PolarHBondContact O-OG1 3.11Å
278	F	95.6	Very high	97.5	Very high	19 Å²	19	22.7 Å²	22.7	8%	0.083	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-29.4	-179.5	-72.2	-52.3	0	0	0	114.9	Y159 A274 M275 G276 K280 T281 R282 E402	Y159-F278 HydrophobicContact CE1-CZ 4.28Å; A274-F278 VanDerWaalsContact O-CD2 3.22Å; A274-F278 WeakPolarHBondContact O-CD2 3.43Å; A274-F278 PolarHBondContact O-N 3.24Å; M275-F278 HydrophobicContact CE-CD2 3.79Å; M275-F278 HydrophobicContact CE-CE2 3.54Å; M275-F278 PolarHBondContact O-N 2.9Å; M275-F278 HydrophobicContact SD-CD2 4.26Å; G276-F278 VanDerWaalsContact C-N 3.34Å; F278-K280 PolarHBondContact O-N 3.3Å; F278-T281 WeakPolarHBondContact CA-OG1 3.41Å; F278-T281 PolarHBondContact O-N 3.4Å; F278-R282 HydrophobicContact CB-CG 4.4Å; F278-R282 VanDerWaalsContact O-CB 3.28Å; F278-R282 WeakPolarHBondContact O-CB 3.38Å; F278-R282 VanDerWaalsContact O-CG 3.29Å; F278-R282 WeakPolarHBondContact O-CG 3.44Å; F278-R282 PolarHBondContact O-N 2.99Å; F278-E402 VanDerWaalsContact CD1-OE2 3.29Å; F278-E402 WeakPolarHBondContact CD1-OE2 3.45Å; F278-E402 WeakPolarHBondContact CE1-OE1 3.49Å; F278-E402 WeakPolarHBondContact CE1-OE2 3.48Å
279	D	95.3	Very high	97.5	Very high	22 Å²	22	22.2 Å²	22.2	12%	0.118	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-27.2	175.1	-84.3	3.7	0	0	0	111.4	G276 A277 N351 T352	G276-D279 PolarHBondContact O-N 3.43Å; A277-D279 VanDerWaalsContact C-N 3.27Å; A277-D279 PolarHBondContact O-N 2.84Å; D279-N351 WeakPolarHBondContact CA-OD1 3.48Å; D279-N351 WeakPolarHBondContact CB-OD1 3.33Å; D279-N351 PolarHBondContact O-ND2 3.25Å; D279-N351 PolarHBondContact O-OD1 2.98Å; D279-N351 VanDerWaalsContact O-OD1 3.04Å; D279-T352 VanDerWaalsContact OD1-CA 3.27Å; D279-T352 WeakPolarHBondContact OD1-CA 3.44Å; D279-T352 WeakPolarHBondContact OD1-CB 3.21Å; D279-T352 PolarHBondContact OD1-OG1 2.85Å; D279-T352 PolarHBondContact OD2-OG1 3.33Å
280	K	98.3	Very high	97.6	Very high	65 Å²	65	21.2 Å²	21.2	28%	0.283	11%	0.105	S	C	.	.	H	α-helix	trans	-96.8	-25.9	177.4	-70.8	-173.3	172.7	-154.3	0	114	I103 M132 I136 A277 F278 P284 V345	I103-K280 HydrophobicContact CD1-CB 3.7Å; I103-K280 HydrophobicContact CD1-CD 4.17Å; I103-K280 HydrophobicContact CD1-CG 3.92Å; I103-K280 HydrophobicContact CG1-CB 4.34Å; I103-K280 HydrophobicContact CG1-CG 4.2Å; M132-K280 HydrophobicContact CE-CB 3.72Å; M132-K280 HydrophobicContact CE-CD 4.2Å; M132-K280 HydrophobicContact CG-CB 3.95Å; M132-K280 HydrophobicContact CG-CD 4.39Å; M132-K280 HydrophobicContact SD-CB 3.62Å; M132-K280 HydrophobicContact SD-CD 3.35Å; M132-K280 WeakPolarHBondContact SD-CD 3.44Å; M132-K280 HydrophobicContact SD-CG 4.1Å; I136-K280 HydrophobicContact CG2-CD 4.07Å; A277-K280 WeakPolarHBondContact O-CA 3.46Å; A277-K280 PolarHBondContact O-N 2.89Å; F278-K280 PolarHBondContact O-N 3.3Å; K280-P284 VanDerWaalsContact O-CD 3.26Å; K280-P284 WeakPolarHBondContact O-CD 3.38Å; K280-V345 HydrophobicContact CD-CG2 4.45Å; K280-V345 HydrophobicContact CG-CG2 3.69Å
281	T	97.9	Very high	97.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-97	-23.1	-176.7	64.8	0	0	0	0	114.5	L129 M132 A277 F278 P284 V285 E402	L129-T281 HydrophobicContact CD1-CG2 3.81Å; M132-T281 HydrophobicContact CB-CG2 3.97Å; M132-T281 HydrophobicContact CG-CG2 4.11Å; A277-T281 WeakPolarHBondContact O-CG2 3.19Å; A277-T281 PolarHBondContact O-N 3.44Å; A277-T281 PolarHBondContact O-OG1 3.11Å; F278-T281 WeakPolarHBondContact CA-OG1 3.41Å; F278-T281 PolarHBondContact O-N 3.4Å; T281-P284 WeakPolarHBondContact O-CD 3.37Å; T281-V285 VanDerWaalsContact O-CG2 3.22Å; T281-V285 WeakPolarHBondContact O-CG2 3.33Å; T281-V285 PolarHBondContact O-N 3.15Å; T281-E402 PolarHBondContact OG1-OE2 3.22Å; T281-E402 VanDerWaalsContact OG1-OE2 3.07Å
282	R	98.6	Very high	97.7	Very high	13 Å²	13	19 Å²	19	5%	0.049	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-37.9	175.9	-76.2	179.7	-170.5	145.4	13	114.5	F278 V285 A286 A355 S356 K359	F278-R282 HydrophobicContact CB-CG 4.4Å; F278-R282 VanDerWaalsContact O-CB 3.28Å; F278-R282 WeakPolarHBondContact O-CB 3.38Å; F278-R282 VanDerWaalsContact O-CG 3.29Å; F278-R282 WeakPolarHBondContact O-CG 3.44Å; F278-R282 PolarHBondContact O-N 2.99Å; R282-V285 PolarHBondContact O-N 2.91Å; R282-A286 PolarHBondContact O-N 3.12Å; R282-A355 HydrophobicContact CB-CB 4.09Å; R282-S356 PolarHBondContact NH1-OG 3.38Å; R282-K359 HydrophobicContact CB-CB 4.43Å; R282-K359 HydrophobicContact CG-CG 4.46Å
283	P	98.8	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.9	-46.4	177.3	-17.6	29.8	0	0	0	112.6	I103 V285 A286 A287 S341 A342 A355	I103-P283 HydrophobicContact CG2-CB 4.01Å; I103-P283 HydrophobicContact CG2-CG 4.1Å; P283-V285 VanDerWaalsContact C-N 3.33Å; P283-V285 PolarHBondContact O-N 3.13Å; P283-A286 WeakPolarHBondContact O-CB 3.44Å; P283-A286 PolarHBondContact O-N 3.24Å; P283-A286 VanDerWaalsContact O-N 3.11Å; P283-A287 PolarHBondContact O-N 3.34Å; P283-S341 WeakPolarHBondContact CG-OG 3.27Å; P283-A342 HydrophobicContact CB-CB 4.25Å; P283-A355 HydrophobicContact CG-CB 4.43Å
284	P	98.8	Very high	97.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.1	-39.1	172.9	-28.2	35.9	0	0	0	113.6	I103 C107 T110 E125 K280 T281 A286 A287 G288	I103-P284 HydrophobicContact CG2-CG 4.31Å; C107-P284 VanDerWaalsContact SG-N 3.35Å; T110-P284 HydrophobicContact CG2-CB 4.5Å; T110-P284 WeakPolarHBondContact CG2-O 3.34Å; E125-P284 WeakPolarHBondContact OE1-CB 3.4Å; K280-P284 VanDerWaalsContact O-CD 3.26Å; K280-P284 WeakPolarHBondContact O-CD 3.38Å; T281-P284 WeakPolarHBondContact O-CD 3.37Å; P284-A286 VanDerWaalsContact C-N 3.31Å; P284-A286 PolarHBondContact O-N 3.5Å; P284-A287 WeakPolarHBondContact O-CB 3.49Å; P284-A287 PolarHBondContact O-N 3.27Å; P284-A287 VanDerWaalsContact O-N 3.15Å; P284-G288 PolarHBondContact O-N 2.93Å
285	V	98.8	Very high	98	Very high	9 Å²	9	13.4 Å²	13.4	6%	0.055	7%	0.071	C	C	.	.	H	α-helix	trans	-62	-39.7	174.9	174.1	0	0	0	0	111.5	T281 R282 P283 G288 A289 K359 Y398 Y401 E402	T281-V285 VanDerWaalsContact O-CG2 3.22Å; T281-V285 WeakPolarHBondContact O-CG2 3.33Å; T281-V285 PolarHBondContact O-N 3.15Å; R282-V285 PolarHBondContact O-N 2.91Å; P283-V285 VanDerWaalsContact C-N 3.33Å; P283-V285 PolarHBondContact O-N 3.13Å; V285-G288 PolarHBondContact O-N 2.97Å; V285-A289 PolarHBondContact O-N 3.19Å; V285-A289 VanDerWaalsContact O-N 3.09Å; V285-K359 HydrophobicContact CG1-CG 4.36Å; V285-Y398 HydrophobicContact CG1-CD1 3.99Å; V285-Y398 HydrophobicContact CG1-CE1 4.24Å; V285-Y398 WeakPolarHBondContact O-CE1 3.36Å; V285-Y401 HydrophobicContact CG1-CD1 4.49Å; V285-Y401 HydrophobicContact CG1-CE1 3.65Å; V285-E402 HydrophobicContact CG1-CB 4.32Å; V285-E402 HydrophobicContact CG2-CB 4.27Å; V285-E402 HydrophobicContact CG2-CG 3.82Å
286	A	98.9	Very high	98.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-40.6	173.9	0	0	0	0	0	111.7	R282 P283 P284 G288 A289 T290 W338 A358 A362	R282-A286 PolarHBondContact O-N 3.12Å; P283-A286 WeakPolarHBondContact O-CB 3.44Å; P283-A286 PolarHBondContact O-N 3.24Å; P283-A286 VanDerWaalsContact O-N 3.11Å; P284-A286 VanDerWaalsContact C-N 3.31Å; P284-A286 PolarHBondContact O-N 3.5Å; A286-G288 VanDerWaalsContact C-N 3.31Å; A286-G288 PolarHBondContact O-N 3.44Å; A286-A289 WeakPolarHBondContact O-CB 3.22Å; A286-A289 PolarHBondContact O-N 3.06Å; A286-T290 PolarHBondContact O-N 3.38Å; A286-T290 PolarHBondContact O-OG1 3.23Å; A286-T290 VanDerWaalsContact O-OG1 3.13Å; A286-W338 HydrophobicContact CB-CB 3.89Å; A286-A358 HydrophobicContact CB-CB 3.94Å; A286-A362 HydrophobicContact CB-CB 3.97Å; A286-A362 WeakPolarHBondContact O-CB 3.38Å
287	A	98.9	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.5	-38.4	173.3	0	0	0	0	0	112	C107 T110 E111 P283 P284 A289 T290 G291 W338	C107-A287 HydrophobicContact CB-CB 3.85Å; C107-A287 WeakPolarHBondContact O-CB 3.36Å; T110-A287 HydrophobicContact CG2-CB 4.19Å; E111-A287 HydrophobicContact CB-CB 4.32Å; P283-A287 PolarHBondContact O-N 3.34Å; P284-A287 WeakPolarHBondContact O-CB 3.49Å; P284-A287 PolarHBondContact O-N 3.27Å; P284-A287 VanDerWaalsContact O-N 3.15Å; A287-A289 PolarHBondContact O-N 3.44Å; A287-T290 WeakPolarHBondContact O-CB 3.48Å; A287-T290 PolarHBondContact O-N 2.95Å; A287-G291 PolarHBondContact O-N 3.4Å; A287-W338 HydrophobicContact CB-CD2 4Å; A287-W338 HydrophobicContact CB-CG 3.97Å
288	G	98.9	Very high	98.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.2	-41.1	174.7	0	0	0	0	0	112.7	A114 P284 V285 A286 G291 L292	A114-G288 VanDerWaalsContact CB-O 3.28Å; A114-G288 WeakPolarHBondContact CB-O 3.45Å; P284-G288 PolarHBondContact O-N 2.93Å; V285-G288 PolarHBondContact O-N 2.97Å; A286-G288 VanDerWaalsContact C-N 3.31Å; A286-G288 PolarHBondContact O-N 3.44Å; G288-G291 PolarHBondContact O-N 3.49Å; G288-L292 PolarHBondContact O-N 3.42Å; G288-L292 VanDerWaalsContact O-N 3.16Å
289	A	98.9	Very high	98.7	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-63	-42	173.1	0	0	0	0	0	111.7	V285 A286 A287 L292 A293 A362 A366 Y398	V285-A289 PolarHBondContact O-N 3.19Å; V285-A289 VanDerWaalsContact O-N 3.09Å; A286-A289 WeakPolarHBondContact O-CB 3.22Å; A286-A289 PolarHBondContact O-N 3.06Å; A287-A289 PolarHBondContact O-N 3.44Å; A289-L292 PolarHBondContact O-N 3.33Å; A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 2.92Å; A289-A362 HydrophobicContact CB-CB 3.9Å; A289-A366 HydrophobicContact CB-CB 3.99Å; A289-A366 WeakPolarHBondContact O-CB 3.29Å; A289-Y398 HydrophobicContact CB-CD1 3.6Å; A289-Y398 HydrophobicContact CB-CD2 4.21Å; A289-Y398 HydrophobicContact CB-CE1 3.98Å; A289-Y398 HydrophobicContact CB-CG 3.73Å
290	T	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.5	-41.8	175.6	-58.9	0	0	0	0	111.9	E111 A286 A287 L292 A293 Q294 V331 A334 R335	E111-T290 HydrophobicContact CG-CG2 4.4Å; E111-T290 WeakPolarHBondContact OE2-CG2 3.38Å; A286-T290 PolarHBondContact O-N 3.38Å; A286-T290 PolarHBondContact O-OG1 3.23Å; A286-T290 VanDerWaalsContact O-OG1 3.13Å; A287-T290 WeakPolarHBondContact O-CB 3.48Å; A287-T290 PolarHBondContact O-N 2.95Å; T290-L292 PolarHBondContact O-N 2.82Å; T290-A293 WeakPolarHBondContact O-CB 3.29Å; T290-A293 PolarHBondContact O-N 3.39Å; T290-A293 VanDerWaalsContact O-N 3.16Å; T290-Q294 WeakPolarHBondContact O-CB 3.32Å; T290-Q294 PolarHBondContact O-N 3.22Å; T290-V331 HydrophobicContact CG2-CG1 4.24Å; T290-A334 HydrophobicContact CG2-CB 4.5Å; T290-R335 HydrophobicContact CG2-CB 4.02Å
291	G	98.9	Very high	98.9	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-62.8	-41.6	178.1	0	0	0	0	0	112.8	E111 Y115 A287 G288 Q294 R295	E111-G291 WeakPolarHBondContact O-CA 3.48Å; Y115-G291 WeakPolarHBondContact CA-O 3.22Å; A287-G291 PolarHBondContact O-N 3.4Å; G288-G291 PolarHBondContact O-N 3.49Å; G291-Q294 PolarHBondContact O-N 2.85Å; G291-R295 PolarHBondContact O-N 3.17Å
292	L	98.9	Very high	98.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-45.6	171.3	-175.5	153.5	0	0	0	111.7	T118 G288 A289 T290 Q294 R295 A296 A366 A370 L391 D394 A395 Y398	T118-L292 HydrophobicContact CG2-CB 3.76Å; T118-L292 HydrophobicContact CG2-CD1 3.71Å; T118-L292 HydrophobicContact CG2-CG 4.26Å; G288-L292 PolarHBondContact O-N 3.42Å; G288-L292 VanDerWaalsContact O-N 3.16Å; A289-L292 PolarHBondContact O-N 3.33Å; T290-L292 PolarHBondContact O-N 2.82Å; L292-Q294 VanDerWaalsContact C-N 3.34Å; L292-Q294 PolarHBondContact O-N 2.98Å; L292-R295 WeakPolarHBondContact O-CB 3.46Å; L292-R295 PolarHBondContact O-N 3.24Å; L292-A296 PolarHBondContact O-N 3.32Å; L292-A366 HydrophobicContact CD2-CB 4.36Å; L292-A370 HydrophobicContact CD2-CB 4.06Å; L292-L391 HydrophobicContact CD2-CB 4.32Å; L292-L391 HydrophobicContact CG-CD2 4.35Å; L292-D394 HydrophobicContact CD1-CB 3.68Å; L292-A395 HydrophobicContact CD1-CB 4.19Å; L292-A395 HydrophobicContact CD2-CB 3.78Å; L292-Y398 HydrophobicContact CD1-CE2 4.17Å
293	A	98.9	Very high	98.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.5	-40.5	179.6	0	0	0	0	0	111.5	A289 T290 R295 A296 L297 V331 I365 A366 V369	A289-A293 WeakPolarHBondContact O-CB 3.35Å; A289-A293 PolarHBondContact O-N 2.92Å; T290-A293 WeakPolarHBondContact O-CB 3.29Å; T290-A293 PolarHBondContact O-N 3.39Å; T290-A293 VanDerWaalsContact O-N 3.16Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.36Å; A293-A296 PolarHBondContact O-N 3.16Å; A293-L297 WeakPolarHBondContact O-CB 3.37Å; A293-L297 PolarHBondContact O-N 3.27Å; A293-V331 HydrophobicContact CB-CG2 3.82Å; A293-I365 HydrophobicContact CB-CD1 3.64Å; A293-A366 HydrophobicContact CB-CB 4.35Å; A293-V369 HydrophobicContact CB-CB 4.26Å; A293-V369 HydrophobicContact CB-CG1 4.28Å; A293-V369 WeakPolarHBondContact O-CG1 3.29Å
294	Q	99	Very high	98.9	Very high	36 Å²	36	14.1 Å²	14.1	17%	0.168	8%	0.079	C	C	.	.	H	α-helix	trans	-60.6	-43.3	173.3	-175.3	65.9	60.9	0	0	111	Y115 T290 G291 L292 A296 L297 D298 V331	Y115-Q294 HydrophobicContact CD2-CB 4.17Å; Y115-Q294 HydrophobicContact CD2-CG 3.98Å; Y115-Q294 HydrophobicContact CE2-CG 4.08Å; T290-Q294 WeakPolarHBondContact O-CB 3.32Å; T290-Q294 PolarHBondContact O-N 3.22Å; G291-Q294 PolarHBondContact O-N 2.85Å; L292-Q294 VanDerWaalsContact C-N 3.34Å; L292-Q294 PolarHBondContact O-N 2.98Å; Q294-A296 PolarHBondContact O-N 2.99Å; Q294-L297 PolarHBondContact O-N 2.87Å; Q294-D298 PolarHBondContact NE2-OD1 2.92Å; Q294-D298 PolarHBondContact O-N 3.2Å; Q294-V331 HydrophobicContact CB-CG1 4.23Å; Q294-V331 VanDerWaalsContact OE1-CG1 3.24Å
295	R	98.9	Very high	98.9	Very high	22 Å²	22	19 Å²	19	8%	0.083	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-45	175.5	-178.1	61.6	-178.6	-74.6	-0.3	112	Y115 G116 G291 L292 A293 L297 D298 E299 L391	Y115-R295 HydrophobicContact CD2-CB 3.68Å; Y115-R295 VanDerWaalsContact CE2-CA 3.46Å; Y115-R295 HydrophobicContact CE2-CB 3.92Å; Y115-R295 HydrophobicContact CE2-CG 4.48Å; Y115-R295 HydrophobicContact CG-CB 4.08Å; Y115-R295 VanDerWaalsContact CZ-CD 3.46Å; Y115-R295 WeakPolarHBondContact O-CG 3.47Å; Y115-R295 PolarHBondContact O-NH1 3Å; G116-R295 PolarHBondContact O-NH1 3.28Å; G291-R295 PolarHBondContact O-N 3.17Å; L292-R295 WeakPolarHBondContact O-CB 3.46Å; L292-R295 PolarHBondContact O-N 3.24Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.36Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 3.02Å; R295-D298 PolarHBondContact O-N 3.25Å; R295-E299 HydrophobicContact CG-CG 4.36Å; R295-E299 IonicContact CZ-OE1 3.5Å; R295-E299 IonicContact NE-OE1 3.49Å; R295-E299 PolarHBondContact NE-OE1 3.35Å; R295-E299 IonicContact NH2-OE1 2.68Å; R295-E299 PolarHBondContact NH2-OE1 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.43Å; R295-E299 PolarHBondContact O-N 3.27Å; R295-L391 HydrophobicContact CB-CD1 4.34Å; R295-L391 HydrophobicContact CG-CD1 3.83Å; R295-L391 HydrophobicContact CG-CD2 4.05Å
296	A	98.9	Very high	98.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.8	-41	177.7	0	0	0	0	0	112.1	L292 A293 Q294 A300 V369 A370 A373 L391	L292-A296 PolarHBondContact O-N 3.32Å; A293-A296 PolarHBondContact O-N 3.16Å; Q294-A296 PolarHBondContact O-N 2.99Å; A296-A300 VanDerWaalsContact O-CB 3.26Å; A296-A300 WeakPolarHBondContact O-CB 3.45Å; A296-A300 PolarHBondContact O-N 3.07Å; A296-V369 HydrophobicContact CB-CG1 3.96Å; A296-A370 HydrophobicContact CB-CB 4.43Å; A296-A373 HydrophobicContact CB-CB 3.88Å; A296-A373 WeakPolarHBondContact O-CB 3.44Å; A296-L391 HydrophobicContact CB-CD1 3.91Å
297	L	98.9	Very high	98.9	Very high	15 Å²	15	31.6 Å²	31.6	8%	0.079	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-46.5	174.3	172.9	61	0	0	0	112.7	A293 Q294 R295 A300 T301 L324 M327 A328 V331 V369	A293-L297 WeakPolarHBondContact O-CB 3.37Å; A293-L297 PolarHBondContact O-N 3.27Å; Q294-L297 PolarHBondContact O-N 2.87Å; R295-L297 VanDerWaalsContact C-N 3.33Å; R295-L297 PolarHBondContact O-N 3.02Å; L297-A300 PolarHBondContact O-N 2.82Å; L297-T301 VanDerWaalsContact O-CB 3.28Å; L297-T301 WeakPolarHBondContact O-CB 3.46Å; L297-T301 PolarHBondContact O-N 2.86Å; L297-T301 PolarHBondContact O-OG1 2.92Å; L297-L324 HydrophobicContact CD1-CD2 4.4Å; L297-M327 HydrophobicContact CB-CE 4.33Å; L297-M327 HydrophobicContact CD1-CB 3.8Å; L297-M327 HydrophobicContact CD1-CE 4.26Å; L297-A328 HydrophobicContact CD2-CB 4.09Å; L297-V331 HydrophobicContact CD2-CG2 4.28Å; L297-V369 HydrophobicContact CB-CG1 4.41Å
298	D	98.9	Very high	98.9	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	19%	0.186	S	C	.	.	H	α-helix	trans	-62.1	-47.3	179.8	-76.7	14.1	0	0	0	111.3	R58 Y115 Q294 R295 T301 G302	R58-D298 IonicContact NH2-OD2 3.17Å; Y115-D298 HydrophobicContact CE2-CB 4.22Å; Y115-D298 WeakPolarHBondContact CE2-OD2 3.33Å; Y115-D298 VanDerWaalsContact CZ-OD2 3.26Å; Y115-D298 PolarHBondContact OH-OD2 3.44Å; Q294-D298 PolarHBondContact NE2-OD1 2.92Å; Q294-D298 PolarHBondContact O-N 3.2Å; R295-D298 PolarHBondContact O-N 3.25Å; D298-T301 PolarHBondContact O-N 3.38Å; D298-G302 PolarHBondContact O-N 3.45Å
299	E	98.9	Very high	98.9	Very high	49 Å²	49	40.4 Å²	40.4	23%	0.229	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-46.6	178.1	-66.8	-69.9	172.4	0	0	111	R295 T301 G302 Y303 F377 P387 V388	R295-E299 HydrophobicContact CG-CG 4.36Å; R295-E299 IonicContact CZ-OE1 3.5Å; R295-E299 IonicContact NE-OE1 3.49Å; R295-E299 PolarHBondContact NE-OE1 3.35Å; R295-E299 IonicContact NH2-OE1 2.68Å; R295-E299 PolarHBondContact NH2-OE1 3.3Å; R295-E299 WeakPolarHBondContact O-CG 3.43Å; R295-E299 PolarHBondContact O-N 3.27Å; E299-T301 PolarHBondContact O-N 3.08Å; E299-G302 PolarHBondContact O-N 3.12Å; E299-Y303 WeakPolarHBondContact O-CB 3.26Å; E299-Y303 PolarHBondContact O-N 2.84Å; E299-F377 HydrophobicContact CB-CE2 4.2Å; E299-F377 HydrophobicContact CB-CZ 4.3Å; E299-F377 VanDerWaalsContact O-CE2 3.27Å; E299-F377 WeakPolarHBondContact O-CE2 3.37Å; E299-F377 WeakPolarHBondContact O-CZ 3.36Å; E299-P387 VanDerWaalsContact CD-CG 3.5Å; E299-P387 HydrophobicContact CG-CG 3.99Å; E299-P387 WeakPolarHBondContact OE2-CG 3.42Å; E299-V388 HydrophobicContact CB-CG1 3.9Å
300	A	98.9	Very high	98.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-43.6	178.2	0	0	0	0	0	112	A296 L297 A304 L324 M327 A373 V376	A296-A300 VanDerWaalsContact O-CB 3.26Å; A296-A300 WeakPolarHBondContact O-CB 3.45Å; A296-A300 PolarHBondContact O-N 3.07Å; L297-A300 PolarHBondContact O-N 2.82Å; A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 2.9Å; A300-L324 HydrophobicContact CB-CD2 3.96Å; A300-M327 HydrophobicContact CB-CE 3.87Å; A300-A373 HydrophobicContact CB-CB 3.95Å; A300-V376 HydrophobicContact CB-CB 4.16Å; A300-V376 HydrophobicContact CB-CG1 4.21Å; A300-V376 HydrophobicContact CB-CG2 4.32Å
301	T	98.9	Very high	98.8	Very high	48 Å²	48	53.1 Å²	53.1	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-47.1	179.2	-57.3	0	0	0	0	111	L297 D298 E299 Y303 A304 L305	L297-T301 VanDerWaalsContact O-CB 3.28Å; L297-T301 WeakPolarHBondContact O-CB 3.46Å; L297-T301 PolarHBondContact O-N 2.86Å; L297-T301 PolarHBondContact O-OG1 2.92Å; D298-T301 PolarHBondContact O-N 3.38Å; E299-T301 PolarHBondContact O-N 3.08Å; T301-Y303 PolarHBondContact O-N 2.79Å; T301-A304 PolarHBondContact O-N 2.8Å; T301-L305 HydrophobicContact CG2-CD1 4.07Å; T301-L305 WeakPolarHBondContact O-CG 3.36Å; T301-L305 PolarHBondContact O-N 2.73Å; T301-L305 VanDerWaalsContact O-N 3.1Å
302	G	98.8	Very high	98.8	Very high	32 Å²	32	58.3 Å²	58.3	33%	0.33	30%	0.299	S	S	.	.	H	α-helix	trans	-56.9	-50.5	176.9	0	0	0	0	0	111.6	D298 E299 A304 L305 E306	D298-G302 PolarHBondContact O-N 3.45Å; E299-G302 PolarHBondContact O-N 3.12Å; G302-A304 VanDerWaalsContact C-N 3.31Å; G302-A304 PolarHBondContact O-N 2.92Å; G302-L305 PolarHBondContact O-N 3.44Å; G302-E306 PolarHBondContact O-N 2.71Å
303	Y	98.9	Very high	98.8	Very high	28 Å²	28	60.4 Å²	60.4	11%	0.11	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-37.7	177.2	-171.7	-100.7	0	0	0	112.9	E299 T301 L305 E306 R307 I314 F377 N380	E299-Y303 WeakPolarHBondContact O-CB 3.26Å; E299-Y303 PolarHBondContact O-N 2.84Å; T301-Y303 PolarHBondContact O-N 2.79Å; Y303-L305 VanDerWaalsContact C-N 3.25Å; Y303-L305 PolarHBondContact O-N 2.89Å; Y303-E306 PolarHBondContact O-N 2.84Å; Y303-E306 VanDerWaalsContact O-N 3.17Å; Y303-R307 HydrophobicContact CD1-CB 4.08Å; Y303-R307 HydrophobicContact CE1-CB 3.72Å; Y303-R307 HydrophobicContact CE1-CG 3.82Å; Y303-R307 HydrophobicContact CE2-CB 4.44Å; Y303-R307 WeakPolarHBondContact O-CB 3.49Å; Y303-R307 PolarHBondContact O-N 3.09Å; Y303-I314 HydrophobicContact CD1-CD1 4.08Å; Y303-I314 HydrophobicContact CE1-CD1 4.24Å; Y303-F377 VanDerWaalsContact CB-CZ 3.41Å; Y303-F377 HydrophobicContact CD1-CB 4.4Å; Y303-F377 HydrophobicContact CD1-CD1 4.1Å; Y303-F377 HydrophobicContact CD1-CD2 4.08Å; Y303-F377 HydrophobicContact CD1-CE1 4.41Å; Y303-F377 HydrophobicContact CD1-CE2 4.44Å; Y303-F377 AromaticContact CD1-CG 3.93Å; Y303-F377 HydrophobicContact CD1-CG 3.93Å; Y303-F377 AromaticContact CD2-CD1 3.7Å; Y303-F377 HydrophobicContact CD2-CD1 3.7Å; Y303-F377 AromaticContact CD2-CE1 3.47Å; Y303-F377 HydrophobicContact CD2-CE1 3.47Å; Y303-F377 VanDerWaalsContact CD2-CE1 3.47Å; Y303-F377 HydrophobicContact CD2-CG 4.35Å; Y303-F377 AromaticContact CD2-CZ 3.99Å; Y303-F377 HydrophobicContact CD2-CZ 3.99Å; Y303-F377 HydrophobicContact CE1-CB 4.33Å; Y303-F377 HydrophobicContact CE1-CD1 4.3Å; Y303-F377 HydrophobicContact CE1-CG 4.23Å; Y303-F377 AromaticContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CE1 4.08Å; Y303-F377 AromaticContact CG-CD1 3.78Å; Y303-F377 HydrophobicContact CG-CD1 3.78Å; Y303-F377 HydrophobicContact CG-CD2 4.04Å; Y303-F377 AromaticContact CG-CE1 3.65Å; Y303-F377 HydrophobicContact CG-CE1 3.65Å; Y303-F377 AromaticContact CG-CE2 3.96Å; Y303-F377 HydrophobicContact CG-CE2 3.96Å; Y303-F377 AromaticContact CG-CG 3.98Å; Y303-F377 HydrophobicContact CG-CG 3.98Å; Y303-F377 AromaticContact CG-CZ 3.78Å; Y303-F377 HydrophobicContact CG-CZ 3.78Å; Y303-N380 PolarHBondContact OH-ND2 3.21Å
304	A	98.9	Very high	98.7	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.9	-28.4	179.7	0	0	0	0	0	113.9	A300 T301 G302 I314 A315 V320 L324 V376	A300-A304 WeakPolarHBondContact O-CB 3.35Å; A300-A304 PolarHBondContact O-N 2.9Å; T301-A304 PolarHBondContact O-N 2.8Å; G302-A304 VanDerWaalsContact C-N 3.31Å; G302-A304 PolarHBondContact O-N 2.92Å; A304-I314 VanDerWaalsContact CA-CG1 3.4Å; A304-I314 HydrophobicContact CB-CD1 4.17Å; A304-I314 HydrophobicContact CB-CG1 3.82Å; A304-I314 WeakPolarHBondContact O-CG1 3.45Å; A304-I314 PolarHBondContact O-N 2.86Å; A304-A315 HydrophobicContact CB-CB 4.07Å; A304-A315 WeakPolarHBondContact O-CB 3.32Å; A304-A315 PolarHBondContact O-N 2.74Å; A304-V320 HydrophobicContact CB-CG1 4.28Å; A304-L324 HydrophobicContact CB-CD1 3.94Å; A304-V376 HydrophobicContact CB-CG1 4.09Å
305	L	98.8	Very high	98.7	Very high	103 Å²	103	60.3 Å²	60.3	54%	0.539	31%	0.313	S	S	.	.	H	α-helix	trans	-84.7	-6.9	177	-68	171.5	0	0	0	113.6	T301 G302 Y303 L313 A315	T301-L305 HydrophobicContact CG2-CD1 4.07Å; T301-L305 WeakPolarHBondContact O-CG 3.36Å; T301-L305 PolarHBondContact O-N 2.73Å; T301-L305 VanDerWaalsContact O-N 3.1Å; G302-L305 PolarHBondContact O-N 3.44Å; Y303-L305 VanDerWaalsContact C-N 3.25Å; Y303-L305 PolarHBondContact O-N 2.89Å; L305-L313 VanDerWaalsContact O-CD2 3.22Å; L305-L313 WeakPolarHBondContact O-CD2 3.38Å; L305-A315 HydrophobicContact CD2-CB 3.89Å
306	E	98.7	Very high	98.7	Very high	152 Å²	152	64.4 Å²	64.4	71%	0.71	33%	0.333	S	S	*	.	H	α-helix	trans	-109.4	-44.7	177.3	-68	178.8	177.6	0	0	112.3	G302 Y303	G302-E306 PolarHBondContact O-N 2.71Å; Y303-E306 PolarHBondContact O-N 2.84Å; Y303-E306 VanDerWaalsContact O-N 3.17Å
307	R	98.6	Very high	98.7	Very high	122 Å²	122	66.8 Å²	66.8	46%	0.46	34%	0.344	S	S	.	.			trans	-71.6	135.8	-173.1	-178.5	62.9	-177	-160	-1	110.9	Y303 L313 I314	Y303-R307 HydrophobicContact CD1-CB 4.08Å; Y303-R307 HydrophobicContact CE1-CB 3.72Å; Y303-R307 HydrophobicContact CE1-CG 3.82Å; Y303-R307 HydrophobicContact CE2-CB 4.44Å; Y303-R307 WeakPolarHBondContact O-CB 3.49Å; Y303-R307 PolarHBondContact O-N 3.09Å; R307-L313 CarbonylContact O-C 3.56Å; R307-L313 WeakPolarHBondContact O-CA 3.43Å; R307-I314 HydrophobicContact CB-CD1 4.02Å; R307-I314 HydrophobicContact CB-CG1 4.2Å; R307-I314 HydrophobicContact CB-CG2 4.35Å; R307-I314 HydrophobicContact CG-CD1 4.22Å; R307-I314 HydrophobicContact CG-CG2 4.01Å; R307-I314 PolarHBondContact O-N 3.27Å
308	K	98.8	Very high	98.7	Very high	137 Å²	137	72.6 Å²	72.6	60%	0.596	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	139.3	173.4	-65.7	-176.6	178.2	-178.8	0	113.2	K312 L313	K308-K312 CarbonylContact C-O 3.48Å; K308-K312 WeakPolarHBondContact CA-O 3.43Å; K308-K312 WeakPolarHBondContact CB-O 3.35Å; K308-L313 HydrophobicContact CD-CD2 4.44Å; K308-L313 HydrophobicContact CG-CD2 3.79Å
309	T	98.5	Very high	98.7	Very high	48 Å²	48	74 Å²	74	29%	0.294	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.7	165.8	63.8	0	0	0	0	108.9	G311 K312 I314 H317	T309-G311 PolarHBondContact O-N 2.71Å; T309-G311 VanDerWaalsContact O-N 3.08Å; T309-K312 PolarHBondContact N-O 3.04Å; T309-K312 PolarHBondContact O-N 3.25Å; T309-K312 VanDerWaalsContact O-N 3.13Å; T309-K312 VanDerWaalsContact O-O 3.1Å; T309-I314 HydrophobicContact CG2-CG2 3.85Å; T309-H317 PolarHBondContact O-CE1 2.7Å; T309-H317 PolarHBondContact O-NE2 2.75Å; T309-H317 PolarHBondContact OG1-NE2 2.75Å
310	F	98	Very high	98.7	Very high	196 Å²	196	73 Å²	73	86%	0.86	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	35.7	-178	-52.9	-77.6	0	0	0	113.5	K312	F310-K312 VanDerWaalsContact C-N 3.34Å; F310-K312 PolarHBondContact O-N 3.23Å
311	G	98.1	Very high	98.6	Very high	73 Å²	73	75.1 Å²	75.1	75%	0.753	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	0.1	176.5	0	0	0	0	0	116.6	T309	T309-G311 PolarHBondContact O-N 2.71Å; T309-G311 VanDerWaalsContact O-N 3.08Å
312	K	98.4	Very high	98.6	Very high	110 Å²	110	78.8 Å²	78.8	48%	0.478	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	160.9	-177.6	-64	-174.6	177.5	-171.3	0	112	K308 T309 F310 E316	K308-K312 CarbonylContact C-O 3.48Å; K308-K312 WeakPolarHBondContact CA-O 3.43Å; K308-K312 WeakPolarHBondContact CB-O 3.35Å; T309-K312 PolarHBondContact N-O 3.04Å; T309-K312 PolarHBondContact O-N 3.25Å; T309-K312 VanDerWaalsContact O-N 3.13Å; T309-K312 VanDerWaalsContact O-O 3.1Å; F310-K312 VanDerWaalsContact C-N 3.34Å; F310-K312 PolarHBondContact O-N 3.23Å; K312-E316 HydrophobicContact CB-CB 4.2Å; K312-E316 HydrophobicContact CD-CB 4.35Å
313	L	98.8	Very high	98.6	Very high	43 Å²	43	79.2 Å²	79.2	23%	0.225	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	143.3	167.7	-67	173.9	0	0	0	109.1	L305 R307 K308 A315 E316	L305-L313 VanDerWaalsContact O-CD2 3.22Å; L305-L313 WeakPolarHBondContact O-CD2 3.38Å; R307-L313 CarbonylContact O-C 3.56Å; R307-L313 WeakPolarHBondContact O-CA 3.43Å; K308-L313 HydrophobicContact CD-CD2 4.44Å; K308-L313 HydrophobicContact CG-CD2 3.79Å; L313-A315 PolarHBondContact O-N 2.89Å; L313-E316 HydrophobicContact CB-CG 4.23Å; L313-E316 WeakPolarHBondContact CB-OE1 3.38Å; L313-E316 PolarHBondContact N-OE1 3.41Å; L313-E316 WeakPolarHBondContact O-CB 3.32Å; L313-E316 PolarHBondContact O-N 3.07Å
314	I	98.8	Very high	98.6	Very high	12 Å²	12	79 Å²	79	6%	0.062	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-66.1	-24.8	-177.9	66.2	173.2	0	0	0	112	Y303 A304 R307 T309 E316 H317 V320 V376	Y303-I314 HydrophobicContact CD1-CD1 4.08Å; Y303-I314 HydrophobicContact CE1-CD1 4.24Å; A304-I314 VanDerWaalsContact CA-CG1 3.4Å; A304-I314 HydrophobicContact CB-CD1 4.17Å; A304-I314 HydrophobicContact CB-CG1 3.82Å; A304-I314 WeakPolarHBondContact O-CG1 3.45Å; A304-I314 PolarHBondContact O-N 2.86Å; R307-I314 HydrophobicContact CB-CD1 4.02Å; R307-I314 HydrophobicContact CB-CG1 4.2Å; R307-I314 HydrophobicContact CB-CG2 4.35Å; R307-I314 HydrophobicContact CG-CD1 4.22Å; R307-I314 HydrophobicContact CG-CG2 4.01Å; R307-I314 PolarHBondContact O-N 3.27Å; T309-I314 HydrophobicContact CG2-CG2 3.85Å; I314-E316 PolarHBondContact O-N 2.84Å; I314-H317 WeakPolarHBondContact O-CB 3.4Å; I314-H317 PolarHBondContact O-N 2.84Å; I314-H317 VanDerWaalsContact O-N 3.08Å; I314-V320 VanDerWaalsContact O-CB 3.25Å; I314-V320 WeakPolarHBondContact O-CB 3.45Å; I314-V376 HydrophobicContact CD1-CG1 4.06Å
315	A	98.6	Very high	98.6	Very high	23 Å²	23	81.5 Å²	81.5	19%	0.19	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-60.2	-20.9	170.1	0	0	0	0	0	114.2	A304 L305 L313 S321	A304-A315 HydrophobicContact CB-CB 4.07Å; A304-A315 WeakPolarHBondContact O-CB 3.32Å; A304-A315 PolarHBondContact O-N 2.74Å; L305-A315 HydrophobicContact CD2-CB 3.89Å; L313-A315 PolarHBondContact O-N 2.89Å; A315-S321 PolarHBondContact O-OG 3.11Å
316	E	98.6	Very high	98.6	Very high	108 Å²	108	81.2 Å²	81.2	51%	0.505	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-83.8	-10.8	176.2	-62.8	174.2	-113	0	0	113	K312 L313 I314 Q318	K312-E316 HydrophobicContact CB-CB 4.2Å; K312-E316 HydrophobicContact CD-CB 4.35Å; L313-E316 HydrophobicContact CB-CG 4.23Å; L313-E316 WeakPolarHBondContact CB-OE1 3.38Å; L313-E316 PolarHBondContact N-OE1 3.41Å; L313-E316 WeakPolarHBondContact O-CB 3.32Å; L313-E316 PolarHBondContact O-N 3.07Å; I314-E316 PolarHBondContact O-N 2.84Å; E316-Q318 PolarHBondContact O-N 3.04Å
317	H	98.8	Very high	98.6	Very high	50 Å²	50	74 Å²	74	23%	0.231	39%	0.392	C	S	.	.	S	Bend	trans	-80.5	117.4	173.4	-60.2	-48.1	0	0	0	108.8	T309 I314 A319 V320 S321	T309-H317 PolarHBondContact O-CE1 2.7Å; T309-H317 PolarHBondContact O-NE2 2.75Å; T309-H317 PolarHBondContact OG1-NE2 2.75Å; I314-H317 WeakPolarHBondContact O-CB 3.4Å; I314-H317 PolarHBondContact O-N 2.84Å; I314-H317 VanDerWaalsContact O-N 3.08Å; H317-A319 PolarHBondContact O-N 2.87Å; H317-V320 HydrophobicContact CB-CG2 4.24Å; H317-V320 WeakPolarHBondContact O-CA 3.29Å; H317-V320 WeakPolarHBondContact O-CB 3.31Å; H317-V320 PolarHBondContact O-N 3.48Å; H317-S321 PolarHBondContact O-N 2.91Å; H317-S321 PolarHBondContact O-OG 3.4Å
318	Q	98.6	Very high	98.7	Very high	137 Å²	137	70 Å²	70	64%	0.64	39%	0.385	S	S	*	.	H	α-helix	trans	-49.7	-38.5	-174.1	-174.4	178.6	49.7	0	0	113.8	E316 V320 S321 F322	E316-Q318 PolarHBondContact O-N 3.04Å; Q318-V320 VanDerWaalsContact C-N 3.32Å; Q318-V320 PolarHBondContact O-N 3.33Å; Q318-S321 PolarHBondContact O-N 2.93Å; Q318-F322 HydrophobicContact CG-CD1 4.01Å; Q318-F322 HydrophobicContact CG-CD2 4.49Å; Q318-F322 HydrophobicContact CG-CE1 3.7Å; Q318-F322 HydrophobicContact CG-CE2 4.21Å; Q318-F322 HydrophobicContact CG-CG 4.4Å; Q318-F322 HydrophobicContact CG-CZ 3.82Å; Q318-F322 WeakPolarHBondContact O-CB 3.42Å; Q318-F322 WeakPolarHBondContact O-CG 3.25Å; Q318-F322 PolarHBondContact O-N 3Å
319	A	98.5	Very high	98.7	Very high	83 Å²	83	69.2 Å²	69.2	69%	0.686	39%	0.385	S	S	*	.	H	α-helix	trans	-61	-38.6	177.3	0	0	0	0	0	112.9	H317 L323	H317-A319 PolarHBondContact O-N 2.87Å; A319-L323 WeakPolarHBondContact O-CB 3.13Å; A319-L323 PolarHBondContact O-N 2.89Å
320	V	98.7	Very high	98.7	Very high	28 Å²	28	68.3 Å²	68.3	17%	0.17	38%	0.377	C	S	.	.	H	α-helix	trans	-73.8	-42.9	175.8	178.8	0	0	0	0	110.2	A304 I314 H317 Q318 F322 L323 L324	A304-V320 HydrophobicContact CB-CG1 4.28Å; I314-V320 VanDerWaalsContact O-CB 3.25Å; I314-V320 WeakPolarHBondContact O-CB 3.45Å; H317-V320 HydrophobicContact CB-CG2 4.24Å; H317-V320 WeakPolarHBondContact O-CA 3.29Å; H317-V320 WeakPolarHBondContact O-CB 3.31Å; H317-V320 PolarHBondContact O-N 3.48Å; Q318-V320 VanDerWaalsContact C-N 3.32Å; Q318-V320 PolarHBondContact O-N 3.33Å; V320-F322 VanDerWaalsContact C-N 3.31Å; V320-F322 PolarHBondContact O-N 2.92Å; V320-L323 WeakPolarHBondContact O-CB 3.48Å; V320-L323 PolarHBondContact O-N 3.02Å; V320-L324 HydrophobicContact CG1-CD1 4.19Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CG 3.32Å; V320-L324 PolarHBondContact O-N 3.23Å
321	S	98.5	Very high	98.7	Very high	44 Å²	44	59 Å²	59	31%	0.308	34%	0.336	S	S	.	.	H	α-helix	trans	-61.9	-39.6	178.5	-31.6	0	0	0	0	111.9	A315 H317 Q318 L324 A325	A315-S321 PolarHBondContact O-OG 3.11Å; H317-S321 PolarHBondContact O-N 2.91Å; H317-S321 PolarHBondContact O-OG 3.4Å; Q318-S321 PolarHBondContact O-N 2.93Å; S321-L324 PolarHBondContact O-N 3.42Å; S321-A325 WeakPolarHBondContact O-CB 3.44Å; S321-A325 PolarHBondContact O-N 3.45Å
322	F	98.8	Very high	98.8	Very high	126 Å²	126	60.1 Å²	60.1	55%	0.553	32%	0.322	S	S	*	.	H	α-helix	trans	-65.3	-42.1	175.4	-79.5	13.8	0	0	0	111.6	Q318 V320 A325 E326	Q318-F322 HydrophobicContact CG-CD1 4.01Å; Q318-F322 HydrophobicContact CG-CD2 4.49Å; Q318-F322 HydrophobicContact CG-CE1 3.7Å; Q318-F322 HydrophobicContact CG-CE2 4.21Å; Q318-F322 HydrophobicContact CG-CG 4.4Å; Q318-F322 HydrophobicContact CG-CZ 3.82Å; Q318-F322 WeakPolarHBondContact O-CB 3.42Å; Q318-F322 WeakPolarHBondContact O-CG 3.25Å; Q318-F322 PolarHBondContact O-N 3Å; V320-F322 VanDerWaalsContact C-N 3.31Å; V320-F322 PolarHBondContact O-N 2.92Å; F322-A325 PolarHBondContact O-N 2.99Å; F322-E326 PolarHBondContact O-N 3.5Å
323	L	98.7	Very high	98.8	Very high	41 Å²	41	59.1 Å²	59.1	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-48.2	175.8	-172.6	62.5	0	0	0	111.5	A319 V320 A325 E326 M327 D372 V376	A319-L323 WeakPolarHBondContact O-CB 3.13Å; A319-L323 PolarHBondContact O-N 2.89Å; V320-L323 WeakPolarHBondContact O-CB 3.48Å; V320-L323 PolarHBondContact O-N 3.02Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 3Å; L323-E326 PolarHBondContact O-N 2.98Å; L323-M327 HydrophobicContact CG-SD 4.26Å; L323-M327 VanDerWaalsContact O-CG 3.26Å; L323-M327 WeakPolarHBondContact O-CG 3.4Å; L323-M327 PolarHBondContact O-N 3.17Å; L323-D372 HydrophobicContact CD1-CB 3.96Å; L323-D372 HydrophobicContact CD2-CB 4.24Å; L323-D372 HydrophobicContact CG-CB 4.2Å; L323-V376 HydrophobicContact CD2-CG2 3.77Å
324	L	98.9	Very high	98.8	Very high	24 Å²	24	57.1 Å²	57.1	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-38.6	176.9	-67.1	174.5	0	0	0	112.2	L297 A300 A304 V320 S321 M327 A328	L297-L324 HydrophobicContact CD1-CD2 4.4Å; A300-L324 HydrophobicContact CB-CD2 3.96Å; A304-L324 HydrophobicContact CB-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CD1 4.19Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CG 3.32Å; V320-L324 PolarHBondContact O-N 3.23Å; S321-L324 PolarHBondContact O-N 3.42Å; L324-M327 HydrophobicContact CD2-SD 4.05Å; L324-M327 PolarHBondContact O-N 3.13Å; L324-A328 PolarHBondContact O-N 2.86Å
325	A	98.9	Very high	98.8	Very high	51 Å²	51	58.1 Å²	58.1	42%	0.421	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-43.9	175.8	0	0	0	0	0	111.9	S321 F322 L323 A328 M329	S321-A325 WeakPolarHBondContact O-CB 3.44Å; S321-A325 PolarHBondContact O-N 3.45Å; F322-A325 PolarHBondContact O-N 2.99Å; L323-A325 VanDerWaalsContact C-N 3.33Å; L323-A325 PolarHBondContact O-N 3Å; A325-A328 PolarHBondContact O-N 3.13Å; A325-M329 WeakPolarHBondContact O-CG 3.45Å; A325-M329 PolarHBondContact O-N 3.43Å
326	E	98.9	Very high	98.8	Very high	97 Å²	97	60.9 Å²	60.9	45%	0.453	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-39.8	175.3	-74.6	-169.5	-166.8	0	0	112.6	F322 L323 M329 K330	F322-E326 PolarHBondContact O-N 3.5Å; L323-E326 PolarHBondContact O-N 2.98Å; E326-M329 PolarHBondContact O-N 2.9Å; E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CD 3.41Å; E326-K330 VanDerWaalsContact O-CG 3.23Å; E326-K330 WeakPolarHBondContact O-CG 3.29Å; E326-K330 PolarHBondContact O-N 2.89Å; E326-K330 IonicContact OE2-NZ 3.83Å; E326-K330 PolarHBondContact OE2-NZ 2.97Å
327	M	98.9	Very high	98.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-47.8	175	-69.5	165.6	72.2	0	0	110.5	L297 A300 L323 L324 K330 V331 V369 D372 A373	L297-M327 HydrophobicContact CB-CE 4.33Å; L297-M327 HydrophobicContact CD1-CB 3.8Å; L297-M327 HydrophobicContact CD1-CE 4.26Å; A300-M327 HydrophobicContact CB-CE 3.87Å; L323-M327 HydrophobicContact CG-SD 4.26Å; L323-M327 VanDerWaalsContact O-CG 3.26Å; L323-M327 WeakPolarHBondContact O-CG 3.4Å; L323-M327 PolarHBondContact O-N 3.17Å; L324-M327 HydrophobicContact CD2-SD 4.05Å; L324-M327 PolarHBondContact O-N 3.13Å; M327-K330 PolarHBondContact O-N 3.27Å; M327-V331 WeakPolarHBondContact O-CG2 3.4Å; M327-V331 PolarHBondContact O-N 3.45Å; M327-V369 HydrophobicContact CB-CG1 4.21Å; M327-V369 HydrophobicContact CB-CG2 4.3Å; M327-V369 HydrophobicContact CE-CG1 3.57Å; M327-V369 HydrophobicContact CG-CG1 4.17Å; M327-V369 HydrophobicContact CG-CG2 4.28Å; M327-D372 HydrophobicContact CE-CB 4.38Å; M327-D372 HydrophobicContact CG-CB 4.16Å; M327-D372 HydrophobicContact SD-CB 3.82Å; M327-A373 HydrophobicContact CE-CB 4.23Å
328	A	98.9	Very high	98.8	Very high	38 Å²	38	54.3 Å²	54.3	31%	0.314	30%	0.298	S	S	.	.	H	α-helix	trans	-59.7	-47.4	177.1	0	0	0	0	0	112.4	L297 L324 A325 K330 V331 E332	L297-A328 HydrophobicContact CD2-CB 4.09Å; L324-A328 PolarHBondContact O-N 2.86Å; A325-A328 PolarHBondContact O-N 3.13Å; A328-K330 VanDerWaalsContact C-N 3.31Å; A328-K330 PolarHBondContact O-N 3.21Å; A328-V331 PolarHBondContact O-N 3.44Å; A328-E332 PolarHBondContact O-N 3.47Å
329	M	98.9	Very high	98.8	Very high	121 Å²	121	49.5 Å²	49.5	60%	0.596	28%	0.276	S	S	*	.	H	α-helix	trans	-56	-45.5	176.3	-71.8	170	58.6	0	0	112	A325 E326 L333	A325-M329 WeakPolarHBondContact O-CG 3.45Å; A325-M329 PolarHBondContact O-N 3.43Å; E326-M329 PolarHBondContact O-N 2.9Å; M329-L333 WeakPolarHBondContact O-CB 3.45Å; M329-L333 WeakPolarHBondContact O-CD1 3.45Å; M329-L333 WeakPolarHBondContact O-CG 3.2Å; M329-L333 PolarHBondContact O-N 3.44Å
330	K	98.9	Very high	98.8	Very high	29 Å²	29	49.6 Å²	49.6	13%	0.126	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-43.3	-179.2	-72.7	166.5	-164.9	167.2	0	111.8	E326 M327 A328 L333 A334 I365 V369	E326-K330 WeakPolarHBondContact O-CB 3.46Å; E326-K330 WeakPolarHBondContact O-CD 3.41Å; E326-K330 VanDerWaalsContact O-CG 3.23Å; E326-K330 WeakPolarHBondContact O-CG 3.29Å; E326-K330 PolarHBondContact O-N 2.89Å; E326-K330 IonicContact OE2-NZ 3.83Å; E326-K330 PolarHBondContact OE2-NZ 2.97Å; M327-K330 PolarHBondContact O-N 3.27Å; A328-K330 VanDerWaalsContact C-N 3.31Å; A328-K330 PolarHBondContact O-N 3.21Å; K330-L333 PolarHBondContact O-N 3.01Å; K330-A334 WeakPolarHBondContact O-CB 3.47Å; K330-A334 PolarHBondContact O-N 2.96Å; K330-I365 HydrophobicContact CB-CB 3.97Å; K330-I365 HydrophobicContact CB-CG1 4.44Å; K330-I365 HydrophobicContact CB-CG2 3.94Å; K330-I365 HydrophobicContact CD-CG2 4.31Å; K330-I365 HydrophobicContact CG-CB 4.46Å; K330-I365 HydrophobicContact CG-CG2 4.03Å; K330-V369 HydrophobicContact CB-CG2 4.38Å; K330-V369 HydrophobicContact CD-CG2 4.44Å
331	V	98.9	Very high	98.8	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-47.9	179.2	173.5	0	0	0	0	111	T290 A293 Q294 L297 M327 A328 L333 A334 R335 V369	T290-V331 HydrophobicContact CG2-CG1 4.24Å; A293-V331 HydrophobicContact CB-CG2 3.82Å; Q294-V331 HydrophobicContact CB-CG1 4.23Å; Q294-V331 VanDerWaalsContact OE1-CG1 3.24Å; L297-V331 HydrophobicContact CD2-CG2 4.28Å; M327-V331 WeakPolarHBondContact O-CG2 3.4Å; M327-V331 PolarHBondContact O-N 3.45Å; A328-V331 PolarHBondContact O-N 3.44Å; V331-L333 PolarHBondContact O-N 2.79Å; V331-A334 PolarHBondContact O-N 3.21Å; V331-R335 PolarHBondContact O-N 3.16Å; V331-V369 HydrophobicContact CG2-CG1 4.48Å; V331-V369 HydrophobicContact CG2-CG2 4.46Å
332	E	98.9	Very high	98.9	Very high	96 Å²	96	46.2 Å²	46.2	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-40.8	178.6	-67.8	-55.4	154.7	0	0	112.7	A328 A334 R335 M336	A328-E332 PolarHBondContact O-N 3.47Å; E332-A334 PolarHBondContact O-N 3.27Å; E332-R335 WeakPolarHBondContact O-CB 3.45Å; E332-R335 PolarHBondContact O-N 3.43Å; E332-R335 IonicContact OE1-NH1 3.01Å; E332-R335 PolarHBondContact OE1-NH1 2.96Å; E332-R335 IonicContact OE2-NH1 3.22Å; E332-R335 PolarHBondContact OE2-NH1 3.28Å; E332-M336 PolarHBondContact O-N 3.03Å
333	L	98.9	Very high	98.8	Very high	89 Å²	89	45.6 Å²	45.6	47%	0.466	23%	0.23	S	C	.	.	H	α-helix	trans	-65.7	-37.9	176.3	-71.3	169.8	0	0	0	112.2	M329 K330 V331 M336 G337 F361	M329-L333 WeakPolarHBondContact O-CB 3.45Å; M329-L333 WeakPolarHBondContact O-CD1 3.45Å; M329-L333 WeakPolarHBondContact O-CG 3.2Å; M329-L333 PolarHBondContact O-N 3.44Å; K330-L333 PolarHBondContact O-N 3.01Å; V331-L333 PolarHBondContact O-N 2.79Å; L333-M336 HydrophobicContact CD2-CE 3.86Å; L333-G337 PolarHBondContact O-N 3.07Å; L333-F361 HydrophobicContact CB-CE1 3.72Å; L333-F361 HydrophobicContact CB-CZ 3.98Å; L333-F361 HydrophobicContact CD1-CZ 4.45Å
334	A	98.9	Very high	98.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-39.5	175.6	0	0	0	0	0	111.6	T290 K330 V331 E332 G337 W338 F361 A362 I365	T290-A334 HydrophobicContact CG2-CB 4.5Å; K330-A334 WeakPolarHBondContact O-CB 3.47Å; K330-A334 PolarHBondContact O-N 2.96Å; V331-A334 PolarHBondContact O-N 3.21Å; E332-A334 PolarHBondContact O-N 3.27Å; A334-G337 PolarHBondContact O-N 3.03Å; A334-W338 PolarHBondContact O-N 3.18Å; A334-W338 VanDerWaalsContact O-N 3.12Å; A334-F361 HydrophobicContact CB-CD1 3.95Å; A334-F361 HydrophobicContact CB-CE1 4.05Å; A334-A362 HydrophobicContact CB-CB 4.08Å; A334-I365 HydrophobicContact CB-CD1 3.86Å; A334-I365 HydrophobicContact CB-CG1 3.86Å
335	R	98.9	Very high	98.8	Very high	34 Å²	34	44 Å²	44	13%	0.128	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-52.4	175.1	-170.9	173.1	-66	112.4	0.8	112	E111 T290 V331 E332 G337 W338 Q339	E111-R335 IonicContact OE1-CZ 3.31Å; E111-R335 IonicContact OE1-NE 3.46Å; E111-R335 PolarHBondContact OE1-NE 2.79Å; E111-R335 IonicContact OE1-NH2 3.28Å; E111-R335 PolarHBondContact OE1-NH2 3.11Å; E111-R335 IonicContact OE2-NE 3.53Å; E111-R335 PolarHBondContact OE2-NE 3.24Å; T290-R335 HydrophobicContact CG2-CB 4.02Å; V331-R335 PolarHBondContact O-N 3.16Å; E332-R335 WeakPolarHBondContact O-CB 3.45Å; E332-R335 PolarHBondContact O-N 3.43Å; E332-R335 IonicContact OE1-NH1 3.01Å; E332-R335 PolarHBondContact OE1-NH1 2.96Å; E332-R335 IonicContact OE2-NH1 3.22Å; E332-R335 PolarHBondContact OE2-NH1 3.28Å; R335-G337 PolarHBondContact O-N 2.89Å; R335-W338 HydrophobicContact CG-CZ2 3.79Å; R335-W338 PolarHBondContact O-N 3.19Å; R335-Q339 WeakPolarHBondContact O-CB 3.42Å; R335-Q339 VanDerWaalsContact O-CG 3.27Å; R335-Q339 WeakPolarHBondContact O-CG 3.47Å; R335-Q339 PolarHBondContact O-N 2.81Å
336	M	98.8	Very high	98.8	Very high	80 Å²	80	44.8 Å²	44.8	39%	0.394	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-33.5	175.4	-71.8	-173.4	-77.1	0	0	112.6	F40 E332 L333 Q339 R340	F40-M336 HydrophobicContact CE1-SD 4.42Å; E332-M336 PolarHBondContact O-N 3.03Å; L333-M336 HydrophobicContact CD2-CE 3.86Å; M336-Q339 PolarHBondContact O-N 3.29Å; M336-R340 WeakPolarHBondContact O-CB 3.38Å; M336-R340 PolarHBondContact O-N 3.13Å
337	G	98.8	Very high	98.7	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-52.3	176.1	0	0	0	0	0	112.9	L333 A334 R335 S341 A358	L333-G337 PolarHBondContact O-N 3.07Å; A334-G337 PolarHBondContact O-N 3.03Å; R335-G337 PolarHBondContact O-N 2.89Å; G337-S341 PolarHBondContact O-N 2.98Å; G337-A358 WeakPolarHBondContact O-CB 2.99Å
338	W	98.8	Very high	98.6	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-70	-35.8	178	71.7	-115.9	0	0	0	111.7	F104 C107 L108 E111 A286 A287 A334 R335 R340 S341 A342 A358	F104-W338 HydrophobicContact CD2-CZ3 4.48Å; F104-W338 HydrophobicContact CE2-CZ3 4.37Å; C107-W338 HydrophobicContact CB-CD2 4.04Å; C107-W338 HydrophobicContact CB-CE3 3.27Å; C107-W338 HydrophobicContact CB-CH2 4.07Å; C107-W338 HydrophobicContact CB-CZ3 3.3Å; L108-W338 HydrophobicContact CD2-CH2 3.76Å; L108-W338 HydrophobicContact CD2-CZ2 4.5Å; L108-W338 HydrophobicContact CG-CH2 4.1Å; E111-W338 VanDerWaalsContact OE2-CE2 3.23Å; E111-W338 WeakPolarHBondContact OE2-CZ2 3.42Å; E111-W338 PolarHBondContact OE2-NE1 2.71Å; A286-W338 HydrophobicContact CB-CB 3.89Å; A287-W338 HydrophobicContact CB-CD2 4Å; A287-W338 HydrophobicContact CB-CG 3.97Å; A334-W338 PolarHBondContact O-N 3.18Å; A334-W338 VanDerWaalsContact O-N 3.12Å; R335-W338 HydrophobicContact CG-CZ2 3.79Å; R335-W338 PolarHBondContact O-N 3.19Å; W338-R340 PolarHBondContact O-N 2.89Å; W338-S341 PolarHBondContact O-N 3.49Å; W338-S341 VanDerWaalsContact O-N 3.13Å; W338-A342 WeakPolarHBondContact O-CB 3.42Å; W338-A342 PolarHBondContact O-N 2.89Å; W338-A358 HydrophobicContact CB-CB 4.34Å
339	Q	98.9	Very high	98.6	Very high	37 Å²	37	50.2 Å²	50.2	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-46.8	177.3	-77.2	172.8	-15	0	0	111.2	F104 R335 M336 S341 A342 W343	F104-Q339 HydrophobicContact CE2-CB 3.86Å; F104-Q339 HydrophobicContact CE2-CG 3.9Å; F104-Q339 HydrophobicContact CZ-CB 4.46Å; F104-Q339 HydrophobicContact CZ-CG 4.05Å; R335-Q339 WeakPolarHBondContact O-CB 3.42Å; R335-Q339 VanDerWaalsContact O-CG 3.27Å; R335-Q339 WeakPolarHBondContact O-CG 3.47Å; R335-Q339 PolarHBondContact O-N 2.81Å; M336-Q339 PolarHBondContact O-N 3.29Å; Q339-S341 VanDerWaalsContact C-N 3.32Å; Q339-S341 PolarHBondContact O-N 2.82Å; Q339-A342 PolarHBondContact O-N 2.61Å; Q339-W343 WeakPolarHBondContact O-CB 3.42Å; Q339-W343 PolarHBondContact O-N 3.41Å
340	R	98.8	Very high	98.5	Very high	85 Å²	85	51.7 Å²	51.7	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-46.4	175.1	175	54.5	179.6	-128.5	6.9	110.8	M336 W338 E344 Y354	M336-R340 WeakPolarHBondContact O-CB 3.38Å; M336-R340 PolarHBondContact O-N 3.13Å; W338-R340 PolarHBondContact O-N 2.89Å; R340-E344 IonicContact CZ-OE1 2.73Å; R340-E344 IonicContact NE-OE1 3.71Å; R340-E344 PolarHBondContact NE-OE1 2.81Å; R340-E344 IonicContact NH2-OE1 2.67Å; R340-E344 PolarHBondContact NH2-OE1 2.94Å; R340-E344 VanDerWaalsContact O-CG 3.23Å; R340-E344 WeakPolarHBondContact O-CG 3.29Å; R340-E344 PolarHBondContact O-N 2.84Å; R340-E344 VanDerWaalsContact O-N 3.07Å; R340-Y354 HydrophobicContact CG-CD1 3.83Å; R340-Y354 HydrophobicContact CG-CE1 4.17Å; R340-Y354 HydrophobicContact CG-CG 4.13Å; R340-Y354 PolarHBondContact NH2-OH 3.08Å
341	S	98.8	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-41.4	-176.8	-169.6	0	0	0	0	113	P283 G337 W338 Q339 V345 N351 A355	P283-S341 WeakPolarHBondContact CG-OG 3.27Å; G337-S341 PolarHBondContact O-N 2.98Å; W338-S341 PolarHBondContact O-N 3.49Å; W338-S341 VanDerWaalsContact O-N 3.13Å; Q339-S341 VanDerWaalsContact C-N 3.32Å; Q339-S341 PolarHBondContact O-N 2.82Å; S341-V345 PolarHBondContact O-N 2.85Å; S341-N351 PolarHBondContact O-ND2 3.44Å; S341-N351 PolarHBondContact OG-ND2 3.47Å; S341-N351 VanDerWaalsContact OG-ND2 3.13Å; S341-A355 WeakPolarHBondContact OG-CA 3.39Å; S341-A355 WeakPolarHBondContact OG-CB 3.28Å; S341-A355 PolarHBondContact OG-N 3.35Å
342	A	98.8	Very high	98.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-66	-47.1	177.7	0	0	0	0	0	111	I103 F104 P283 W338 Q339 E344 V345 D346	I103-A342 HydrophobicContact CB-CB 4.3Å; I103-A342 HydrophobicContact CG2-CB 3.9Å; F104-A342 HydrophobicContact CB-CB 4.13Å; F104-A342 HydrophobicContact CD2-CB 4.13Å; P283-A342 HydrophobicContact CB-CB 4.25Å; W338-A342 WeakPolarHBondContact O-CB 3.42Å; W338-A342 PolarHBondContact O-N 2.89Å; Q339-A342 PolarHBondContact O-N 2.61Å; A342-E344 VanDerWaalsContact C-N 3.28Å; A342-E344 PolarHBondContact O-N 2.88Å; A342-V345 WeakPolarHBondContact O-CG1 3.29Å; A342-V345 PolarHBondContact O-N 3.39Å; A342-D346 PolarHBondContact O-N 3.19Å
343	W	98.6	Very high	98.4	Very high	113 Å²	113	48.1 Å²	48.1	43%	0.428	24%	0.237	S	C	.	.	H	α-helix	trans	-57	-40.4	176.4	177	87.1	0	0	0	112.5	F104 Q339 V345 N347 R349	F104-W343 HydrophobicContact CD2-CB 4.46Å; Q339-W343 WeakPolarHBondContact O-CB 3.42Å; Q339-W343 PolarHBondContact O-N 3.41Å; W343-V345 PolarHBondContact O-N 3.01Å; W343-N347 VanDerWaalsContact CE2-ND2 3.27Å; W343-N347 PolarHBondContact NE1-ND2 2.83Å; W343-N347 VanDerWaalsContact NE1-ND2 3.18Å; W343-N347 WeakPolarHBondContact O-CB 3.44Å; W343-N347 PolarHBondContact O-N 3.25Å; W343-N347 VanDerWaalsContact O-N 3.12Å; W343-N347 PolarHBondContact O-ND2 2.78Å; W343-R349 VanDerWaalsContact CE3-NH2 3.34Å
344	E	98.6	Very high	98.4	Very high	13 Å²	13	47 Å²	47	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-46.3	178.6	-73.1	-76.8	-166.5	0	0	112.9	R340 A342 N347 R349 N351 Y354	R340-E344 IonicContact CZ-OE1 2.73Å; R340-E344 IonicContact NE-OE1 3.71Å; R340-E344 PolarHBondContact NE-OE1 2.81Å; R340-E344 IonicContact NH2-OE1 2.67Å; R340-E344 PolarHBondContact NH2-OE1 2.94Å; R340-E344 VanDerWaalsContact O-CG 3.23Å; R340-E344 WeakPolarHBondContact O-CG 3.29Å; R340-E344 PolarHBondContact O-N 2.84Å; R340-E344 VanDerWaalsContact O-N 3.07Å; A342-E344 VanDerWaalsContact C-N 3.28Å; A342-E344 PolarHBondContact O-N 2.88Å; E344-N347 PolarHBondContact O-N 2.84Å; E344-R349 CarbonylContact C-O 3.53Å; E344-R349 WeakPolarHBondContact O-CB 3.22Å; E344-R349 PolarHBondContact O-N 3.08Å; E344-R349 IonicContact OE2-CZ 3.24Å; E344-R349 VanDerWaalsContact OE2-CZ 3.24Å; E344-R349 IonicContact OE2-NE 2.7Å; E344-R349 PolarHBondContact OE2-NE 3.08Å; E344-R349 IonicContact OE2-NH2 2.89Å; E344-R349 PolarHBondContact OE2-NH2 3.31Å; E344-N351 HydrophobicContact CB-CB 3.66Å; E344-Y354 HydrophobicContact CG-CD2 3.67Å; E344-Y354 HydrophobicContact CG-CE2 3.98Å; E344-Y354 HydrophobicContact CG-CG 4.41Å; E344-Y354 WeakPolarHBondContact OE1-CE2 3.21Å
345	V	98.3	Very high	98.4	Very high	19 Å²	19	46.9 Å²	46.9	12%	0.115	23%	0.226	C	C	.	.	H	α-helix	trans	-75.8	-32.5	-177.4	62.5	0	0	0	0	112.6	I103 K280 S341 A342 W343 N347 G348 R349 N351	I103-V345 HydrophobicContact CB-CG1 3.79Å; I103-V345 HydrophobicContact CG1-CG1 3.58Å; I103-V345 HydrophobicContact CG2-CG1 4.01Å; K280-V345 HydrophobicContact CD-CG2 4.45Å; K280-V345 HydrophobicContact CG-CG2 3.69Å; S341-V345 PolarHBondContact O-N 2.85Å; A342-V345 WeakPolarHBondContact O-CG1 3.29Å; A342-V345 PolarHBondContact O-N 3.39Å; W343-V345 PolarHBondContact O-N 3.01Å; V345-N347 PolarHBondContact O-N 2.89Å; V345-G348 PolarHBondContact O-N 2.95Å; V345-R349 WeakPolarHBondContact CA-O 3.48Å; V345-N351 HydrophobicContact CB-CB 4.2Å; V345-N351 WeakPolarHBondContact CB-ND2 3.35Å; V345-N351 WeakPolarHBondContact CG1-ND2 3.21Å
346	D	98.3	Very high	98.4	Very high	68 Å²	68	45.3 Å²	45.3	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-66.2	-28.2	173.5	-72.5	-16.2	0	0	0	112	I103 F104 A342 G348	I103-D346 WeakPolarHBondContact CB-OD1 3.17Å; I103-D346 WeakPolarHBondContact CG1-OD1 3.46Å; I103-D346 PolarHBondContact N-OD1 2.89Å; I103-D346 PolarHBondContact N-OD2 3.3Å; I103-D346 VanDerWaalsContact N-OD2 3.16Å; F104-D346 VanDerWaalsContact CB-OD2 3.31Å; F104-D346 WeakPolarHBondContact CB-OD2 3.48Å; F104-D346 PolarHBondContact N-OD2 2.98Å; A342-D346 PolarHBondContact O-N 3.19Å; D346-G348 PolarHBondContact O-N 3.05Å
347	N	97.6	Very high	98.4	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	13.7	171.5	-78.4	-98.9	0	0	0	113.7	W343 E344 V345 R349	W343-N347 VanDerWaalsContact CE2-ND2 3.27Å; W343-N347 PolarHBondContact NE1-ND2 2.83Å; W343-N347 VanDerWaalsContact NE1-ND2 3.18Å; W343-N347 WeakPolarHBondContact O-CB 3.44Å; W343-N347 PolarHBondContact O-N 3.25Å; W343-N347 VanDerWaalsContact O-N 3.12Å; W343-N347 PolarHBondContact O-ND2 2.78Å; E344-N347 PolarHBondContact O-N 2.84Å; V345-N347 PolarHBondContact O-N 2.89Å; N347-R349 VanDerWaalsContact CB-CZ 3.48Å; N347-R349 VanDerWaalsContact CB-NH1 3.3Å; N347-R349 VanDerWaalsContact CB-NH2 3.31Å; N347-R349 PolarHBondContact O-N 2.94Å
348	G	96.5	Very high	98.4	Very high	72 Å²	72	43.4 Å²	43.4	74%	0.742	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	11.8	177.3	0	0	0	0	0	114.8	V345 D346	V345-G348 PolarHBondContact O-N 2.95Å; D346-G348 PolarHBondContact O-N 3.05Å
349	R	98.2	Very high	98.4	Very high	100 Å²	100	43.5 Å²	43.5	38%	0.377	21%	0.207	S	C	.	.			trans	-95	140	177.1	-64.9	-176.2	-61.7	-83.6	-14	110.3	W343 E344 V345 N347 N351	W343-R349 VanDerWaalsContact CE3-NH2 3.34Å; E344-R349 CarbonylContact C-O 3.53Å; E344-R349 WeakPolarHBondContact O-CB 3.22Å; E344-R349 PolarHBondContact O-N 3.08Å; E344-R349 IonicContact OE2-CZ 3.24Å; E344-R349 VanDerWaalsContact OE2-CZ 3.24Å; E344-R349 IonicContact OE2-NE 2.7Å; E344-R349 PolarHBondContact OE2-NE 3.08Å; E344-R349 IonicContact OE2-NH2 2.89Å; E344-R349 PolarHBondContact OE2-NH2 3.31Å; V345-R349 WeakPolarHBondContact CA-O 3.48Å; N347-R349 VanDerWaalsContact CB-CZ 3.48Å; N347-R349 VanDerWaalsContact CB-NH1 3.3Å; N347-R349 VanDerWaalsContact CB-NH2 3.31Å; N347-R349 PolarHBondContact O-N 2.94Å; R349-N351 PolarHBondContact O-N 3.2Å
350	R	97.2	Very high	98.4	Very high	152 Å²	152	42.1 Å²	42.1	57%	0.574	20%	0.203	S	C	*	.			trans	-61.7	120.3	174	-176.9	175.8	171	-106.8	-5.3	109.4	T352 E415	R350-T352 PolarHBondContact NE-OG1 2.96Å; R350-T352 VanDerWaalsContact NH2-CB 3.34Å; R350-T352 PolarHBondContact NH2-OG1 3.46Å; R350-E415 IonicContact CZ-OE1 3.51Å; R350-E415 IonicContact CZ-OE2 3.52Å; R350-E415 IonicContact NH1-OE1 3.28Å; R350-E415 PolarHBondContact NH1-OE1 2.85Å; R350-E415 IonicContact NH1-OE2 2.77Å; R350-E415 PolarHBondContact NH1-OE2 3.48Å; R350-E415 IonicContact NH2-OE1 2.8Å; R350-E415 PolarHBondContact NH2-OE1 2.99Å; R350-E415 IonicContact NH2-OE2 3.52Å
351	N	98.5	Very high	98.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.203	C	C	.	.			trans	-106.3	6.7	-172.2	75.4	-15.7	0	0	0	113.9	D279 S341 E344 V345 R349 Y353 Y354 A355	D279-N351 WeakPolarHBondContact CA-OD1 3.48Å; D279-N351 WeakPolarHBondContact CB-OD1 3.33Å; D279-N351 PolarHBondContact O-ND2 3.25Å; D279-N351 PolarHBondContact O-OD1 2.98Å; D279-N351 VanDerWaalsContact O-OD1 3.04Å; S341-N351 PolarHBondContact O-ND2 3.44Å; S341-N351 PolarHBondContact OG-ND2 3.47Å; S341-N351 VanDerWaalsContact OG-ND2 3.13Å; E344-N351 HydrophobicContact CB-CB 3.66Å; V345-N351 HydrophobicContact CB-CB 4.2Å; V345-N351 WeakPolarHBondContact CB-ND2 3.35Å; V345-N351 WeakPolarHBondContact CG1-ND2 3.21Å; R349-N351 PolarHBondContact O-N 3.2Å; N351-Y353 CarbonylContact O-C 3.55Å; N351-Y353 PolarHBondContact O-N 2.96Å; N351-Y354 PolarHBondContact O-N 2.94Å; N351-A355 PolarHBondContact O-N 3.27Å
352	T	98.5	Very high	98.5	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	20%	0.203	C	C	.	.	H	α-helix	trans	-43.5	-41.5	-172.3	-53.7	0	0	0	0	114.3	D279 R350 S356 I411 E415	D279-T352 VanDerWaalsContact OD1-CA 3.27Å; D279-T352 WeakPolarHBondContact OD1-CA 3.44Å; D279-T352 WeakPolarHBondContact OD1-CB 3.21Å; D279-T352 PolarHBondContact OD1-OG1 2.85Å; D279-T352 PolarHBondContact OD2-OG1 3.33Å; R350-T352 PolarHBondContact NE-OG1 2.96Å; R350-T352 VanDerWaalsContact NH2-CB 3.34Å; R350-T352 PolarHBondContact NH2-OG1 3.46Å; T352-S356 WeakPolarHBondContact O-CB 3.49Å; T352-S356 PolarHBondContact O-N 2.74Å; T352-S356 VanDerWaalsContact O-N 3.08Å; T352-S356 PolarHBondContact O-OG 2.9Å; T352-I411 HydrophobicContact CG2-CG2 3.54Å; T352-E415 HydrophobicContact CG2-CG 4.19Å
353	Y	98.8	Very high	98.5	Very high	42 Å²	42	41.9 Å²	41.9	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-54.2	175.8	179.6	-102.7	0	0	0	112.6	N351 S356 I357 I412 E415 H416	N351-Y353 CarbonylContact O-C 3.55Å; N351-Y353 PolarHBondContact O-N 2.96Å; Y353-S356 PolarHBondContact O-N 2.84Å; Y353-I357 HydrophobicContact CD1-CD1 3.76Å; Y353-I357 HydrophobicContact CD2-CD1 4.41Å; Y353-I357 HydrophobicContact CE1-CD1 3.26Å; Y353-I357 HydrophobicContact CE2-CD1 3.98Å; Y353-I357 HydrophobicContact CG-CD1 4.34Å; Y353-I357 WeakPolarHBondContact O-CG1 3.34Å; Y353-I357 PolarHBondContact O-N 3.47Å; Y353-I412 HydrophobicContact CD2-CG2 4.47Å; Y353-I412 HydrophobicContact CE2-CG2 3.95Å; Y353-E415 HydrophobicContact CD2-CB 3.79Å; Y353-E415 HydrophobicContact CG-CB 4.42Å; Y353-H416 HydrophobicContact CE2-CB 4.16Å
354	Y	98.8	Very high	98.5	Very high	65 Å²	65	38.3 Å²	38.3	26%	0.255	19%	0.194	S	C	.	.	H	α-helix	trans	-67.9	-37.7	-178.9	-62.7	-68.3	0	0	0	111.8	R340 E344 N351 S356 I357 A358	R340-Y354 HydrophobicContact CG-CD1 3.83Å; R340-Y354 HydrophobicContact CG-CE1 4.17Å; R340-Y354 HydrophobicContact CG-CG 4.13Å; R340-Y354 PolarHBondContact NH2-OH 3.08Å; E344-Y354 HydrophobicContact CG-CD2 3.67Å; E344-Y354 HydrophobicContact CG-CE2 3.98Å; E344-Y354 HydrophobicContact CG-CG 4.41Å; E344-Y354 WeakPolarHBondContact OE1-CE2 3.21Å; N351-Y354 PolarHBondContact O-N 2.94Å; Y354-S356 VanDerWaalsContact C-N 3.31Å; Y354-S356 PolarHBondContact O-N 2.99Å; Y354-I357 PolarHBondContact O-N 3.18Å; Y354-A358 WeakPolarHBondContact O-CB 3.41Å; Y354-A358 PolarHBondContact O-N 3.23Å
355	A	98.8	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-41.5	176.6	0	0	0	0	0	111.5	R282 P283 S341 N351 K359	R282-A355 HydrophobicContact CB-CB 4.09Å; P283-A355 HydrophobicContact CG-CB 4.43Å; S341-A355 WeakPolarHBondContact OG-CA 3.39Å; S341-A355 WeakPolarHBondContact OG-CB 3.28Å; S341-A355 PolarHBondContact OG-N 3.35Å; N351-A355 PolarHBondContact O-N 3.27Å; A355-K359 VanDerWaalsContact O-CB 3.29Å; A355-K359 WeakPolarHBondContact O-CB 3.05Å; A355-K359 PolarHBondContact O-N 3.31Å
356	S	98.8	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-37.1	178.9	-51.5	0	0	0	0	112.1	R282 T352 Y353 Y354 A360 Q408 I411	R282-S356 PolarHBondContact NH1-OG 3.38Å; T352-S356 WeakPolarHBondContact O-CB 3.49Å; T352-S356 PolarHBondContact O-N 2.74Å; T352-S356 VanDerWaalsContact O-N 3.08Å; T352-S356 PolarHBondContact O-OG 2.9Å; Y353-S356 PolarHBondContact O-N 2.84Å; Y354-S356 VanDerWaalsContact C-N 3.31Å; Y354-S356 PolarHBondContact O-N 2.99Å; S356-A360 WeakPolarHBondContact O-CB 3.21Å; S356-A360 PolarHBondContact O-N 3.3Å; S356-Q408 VanDerWaalsContact CA-OE1 3.28Å; S356-Q408 VanDerWaalsContact CB-OE1 3.23Å; S356-Q408 PolarHBondContact OG-OE1 3.3Å; S356-I411 WeakPolarHBondContact OG-CG2 3.3Å
357	I	98.9	Very high	98.6	Very high	58 Å²	58	35.2 Å²	35.2	30%	0.297	18%	0.177	S	C	.	.	H	α-helix	trans	-61.1	-52.4	172.1	-72.8	174.3	0	0	0	110.5	Y353 Y354 K359 A360 F361 I412	Y353-I357 HydrophobicContact CD1-CD1 3.76Å; Y353-I357 HydrophobicContact CD2-CD1 4.41Å; Y353-I357 HydrophobicContact CE1-CD1 3.26Å; Y353-I357 HydrophobicContact CE2-CD1 3.98Å; Y353-I357 HydrophobicContact CG-CD1 4.34Å; Y353-I357 WeakPolarHBondContact O-CG1 3.34Å; Y353-I357 PolarHBondContact O-N 3.47Å; Y354-I357 PolarHBondContact O-N 3.18Å; I357-K359 PolarHBondContact O-N 3.37Å; I357-A360 PolarHBondContact O-N 3.03Å; I357-F361 VanDerWaalsContact O-CB 3.29Å; I357-F361 WeakPolarHBondContact O-CB 3.44Å; I357-F361 PolarHBondContact O-N 3.42Å; I357-I412 HydrophobicContact CG1-CD1 3.86Å; I357-I412 HydrophobicContact CG1-CG1 3.94Å; I357-I412 HydrophobicContact CG1-CG2 4.34Å
358	A	98.9	Very high	98.6	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-57.2	-50.1	-178.8	0	0	0	0	0	110.8	A286 G337 W338 Y354 F361 A362	A286-A358 HydrophobicContact CB-CB 3.94Å; G337-A358 WeakPolarHBondContact O-CB 2.99Å; W338-A358 HydrophobicContact CB-CB 4.34Å; Y354-A358 WeakPolarHBondContact O-CB 3.41Å; Y354-A358 PolarHBondContact O-N 3.23Å; A358-F361 PolarHBondContact O-N 3.38Å; A358-A362 WeakPolarHBondContact O-CB 3.15Å; A358-A362 PolarHBondContact O-N 3.08Å
359	K	98.9	Very high	98.7	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.013	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-46.4	-179.9	-161.9	-78.4	-174.9	-178	0	111.9	R282 V285 A355 I357 G363 Y398 Y401 G403 Q408	R282-K359 HydrophobicContact CB-CB 4.43Å; R282-K359 HydrophobicContact CG-CG 4.46Å; V285-K359 HydrophobicContact CG1-CG 4.36Å; A355-K359 VanDerWaalsContact O-CB 3.29Å; A355-K359 WeakPolarHBondContact O-CB 3.05Å; A355-K359 PolarHBondContact O-N 3.31Å; I357-K359 PolarHBondContact O-N 3.37Å; K359-G363 PolarHBondContact O-N 2.86Å; K359-Y398 WeakPolarHBondContact CE-O 3.33Å; K359-Y398 PolarHBondContact NZ-O 2.95Å; K359-Y401 WeakPolarHBondContact CE-O 3.4Å; K359-Y401 PolarHBondContact NZ-O 3.22Å; K359-G403 WeakPolarHBondContact CE-O 3.23Å; K359-G403 PolarHBondContact NZ-O 2.86Å; K359-Q408 HydrophobicContact CD-CG 3.82Å
360	A	98.9	Very high	98.8	Very high	9 Å²	9	27.8 Å²	27.8	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-51.2	178.8	0	0	0	0	0	111.8	S356 I357 D364 Q408 I412	S356-A360 WeakPolarHBondContact O-CB 3.21Å; S356-A360 PolarHBondContact O-N 3.3Å; I357-A360 PolarHBondContact O-N 3.03Å; A360-D364 WeakPolarHBondContact O-CB 3.19Å; A360-D364 VanDerWaalsContact O-CG 3.22Å; A360-D364 PolarHBondContact O-N 3.43Å; A360-Q408 HydrophobicContact CB-CB 3.73Å; A360-Q408 HydrophobicContact CB-CG 4.25Å; A360-I412 HydrophobicContact CB-CD1 4.26Å
361	F	98.9	Very high	98.9	Very high	77 Å²	77	22.8 Å²	22.8	34%	0.338	11%	0.113	S	C	.	.	H	α-helix	trans	-67.7	-49.6	-175.5	-174.1	-98.3	0	0	0	111.6	L333 A334 I357 A358 G363 D364 I365	L333-F361 HydrophobicContact CB-CE1 3.72Å; L333-F361 HydrophobicContact CB-CZ 3.98Å; L333-F361 HydrophobicContact CD1-CZ 4.45Å; A334-F361 HydrophobicContact CB-CD1 3.95Å; A334-F361 HydrophobicContact CB-CE1 4.05Å; I357-F361 VanDerWaalsContact O-CB 3.29Å; I357-F361 WeakPolarHBondContact O-CB 3.44Å; I357-F361 PolarHBondContact O-N 3.42Å; A358-F361 PolarHBondContact O-N 3.38Å; F361-G363 VanDerWaalsContact C-N 3.33Å; F361-G363 PolarHBondContact O-N 2.97Å; F361-D364 PolarHBondContact O-N 3.31Å; F361-I365 HydrophobicContact CD1-CG2 4.32Å; F361-I365 HydrophobicContact CD2-CG2 4.45Å; F361-I365 HydrophobicContact CE1-CG1 4.4Å; F361-I365 HydrophobicContact CE1-CG2 3.93Å; F361-I365 HydrophobicContact CE2-CG2 4.08Å; F361-I365 HydrophobicContact CZ-CG2 3.81Å; F361-I365 WeakPolarHBondContact O-CG1 3.48Å; F361-I365 WeakPolarHBondContact O-CG2 3.16Å; F361-I365 PolarHBondContact O-N 2.84Å
362	A	98.9	Very high	98.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-41.2	179.1	0	0	0	0	0	111.8	A286 A289 A334 A358 A366	A286-A362 HydrophobicContact CB-CB 3.97Å; A286-A362 WeakPolarHBondContact O-CB 3.38Å; A289-A362 HydrophobicContact CB-CB 3.9Å; A334-A362 HydrophobicContact CB-CB 4.08Å; A358-A362 WeakPolarHBondContact O-CB 3.15Å; A358-A362 PolarHBondContact O-N 3.08Å; A362-A366 VanDerWaalsContact O-CB 3.23Å; A362-A366 WeakPolarHBondContact O-CB 3.48Å; A362-A366 PolarHBondContact O-N 3.13Å
363	G	98.9	Very high	98.9	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-41	175.8	0	0	0	0	0	113.3	K359 F361 N367	K359-G363 PolarHBondContact O-N 2.86Å; F361-G363 VanDerWaalsContact C-N 3.33Å; F361-G363 PolarHBondContact O-N 2.97Å; G363-N367 PolarHBondContact O-ND2 2.99Å
364	D	98.9	Very high	98.9	Very high	39 Å²	39	22.7 Å²	22.7	21%	0.209	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-46.4	177.5	-71.6	-16.7	0	0	0	111.5	A360 F361 N367 Q368 Q399 R409	A360-D364 WeakPolarHBondContact O-CB 3.19Å; A360-D364 VanDerWaalsContact O-CG 3.22Å; A360-D364 PolarHBondContact O-N 3.43Å; F361-D364 PolarHBondContact O-N 3.31Å; D364-N367 PolarHBondContact O-N 2.86Å; D364-Q368 PolarHBondContact O-N 2.82Å; D364-Q399 PolarHBondContact OD1-NE2 2.81Å; D364-R409 IonicContact OD2-CZ 2.82Å; D364-R409 IonicContact OD2-NH1 2.92Å; D364-R409 PolarHBondContact OD2-NH1 3.35Å; D364-R409 IonicContact OD2-NH2 3.16Å; D364-R409 PolarHBondContact OD2-NH2 3.04Å
365	I	98.8	Very high	98.9	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.036	13%	0.134	C	C	.	.	H	α-helix	trans	-72.3	-31	-178.6	68.5	80.4	0	0	0	112.8	A293 K330 A334 F361 N367 Q368 V369	A293-I365 HydrophobicContact CB-CD1 3.64Å; K330-I365 HydrophobicContact CB-CB 3.97Å; K330-I365 HydrophobicContact CB-CG1 4.44Å; K330-I365 HydrophobicContact CB-CG2 3.94Å; K330-I365 HydrophobicContact CD-CG2 4.31Å; K330-I365 HydrophobicContact CG-CB 4.46Å; K330-I365 HydrophobicContact CG-CG2 4.03Å; A334-I365 HydrophobicContact CB-CD1 3.86Å; A334-I365 HydrophobicContact CB-CG1 3.86Å; F361-I365 HydrophobicContact CD1-CG2 4.32Å; F361-I365 HydrophobicContact CD2-CG2 4.45Å; F361-I365 HydrophobicContact CE1-CG1 4.4Å; F361-I365 HydrophobicContact CE1-CG2 3.93Å; F361-I365 HydrophobicContact CE2-CG2 4.08Å; F361-I365 HydrophobicContact CZ-CG2 3.81Å; F361-I365 WeakPolarHBondContact O-CG1 3.48Å; F361-I365 WeakPolarHBondContact O-CG2 3.16Å; F361-I365 PolarHBondContact O-N 2.84Å; I365-N367 PolarHBondContact O-N 3.46Å; I365-Q368 PolarHBondContact O-N 3.38Å; I365-Q368 VanDerWaalsContact O-N 3.15Å; I365-V369 WeakPolarHBondContact O-CB 3.48Å; I365-V369 VanDerWaalsContact O-CG2 3.23Å; I365-V369 WeakPolarHBondContact O-CG2 3.47Å; I365-V369 PolarHBondContact O-N 3.47Å
366	A	98.9	Very high	98.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-37.3	177.3	0	0	0	0	0	111.1	A289 L292 A293 A362 A370 A395	A289-A366 HydrophobicContact CB-CB 3.99Å; A289-A366 WeakPolarHBondContact O-CB 3.29Å; L292-A366 HydrophobicContact CD2-CB 4.36Å; A293-A366 HydrophobicContact CB-CB 4.35Å; A362-A366 VanDerWaalsContact O-CB 3.23Å; A362-A366 WeakPolarHBondContact O-CB 3.48Å; A362-A366 PolarHBondContact O-N 3.13Å; A366-A370 WeakPolarHBondContact O-CB 3.49Å; A366-A370 PolarHBondContact O-N 3.39Å; A366-A370 VanDerWaalsContact O-N 3.08Å; A366-A395 HydrophobicContact CB-CB 4.49Å
367	N	98.9	Very high	98.9	Very high	28 Å²	28	27.3 Å²	27.3	15%	0.15	14%	0.141	C	C	.	.	H	α-helix	trans	-66.4	-44.7	174.2	-82	-96.5	0	0	0	111.9	G363 D364 I365 S371 A395 K396	G363-N367 PolarHBondContact O-ND2 2.99Å; D364-N367 PolarHBondContact O-N 2.86Å; I365-N367 PolarHBondContact O-N 3.46Å; N367-S371 WeakPolarHBondContact O-CB 3.23Å; N367-S371 PolarHBondContact O-N 3.07Å; N367-S371 VanDerWaalsContact O-N 3.14Å; N367-A395 PolarHBondContact ND2-O 3.02Å; N367-K396 VanDerWaalsContact OD1-CA 3.23Å; N367-K396 WeakPolarHBondContact OD1-CA 3.19Å
368	Q	98.9	Very high	98.9	Very high	92 Å²	92	26.2 Å²	26.2	43%	0.43	14%	0.144	S	C	.	.	H	α-helix	trans	-66.2	-52.2	-179.7	-171.5	166.1	33.1	0	0	111.5	D364 I365 A370 S371 D372	D364-Q368 PolarHBondContact O-N 2.82Å; I365-Q368 PolarHBondContact O-N 3.38Å; I365-Q368 VanDerWaalsContact O-N 3.15Å; Q368-A370 VanDerWaalsContact C-N 3.32Å; Q368-A370 PolarHBondContact O-N 3.06Å; Q368-S371 PolarHBondContact O-N 2.76Å; Q368-S371 VanDerWaalsContact O-N 3.12Å; Q368-D372 WeakPolarHBondContact CG-OD2 3.39Å; Q368-D372 WeakPolarHBondContact O-CB 3.5Å; Q368-D372 PolarHBondContact O-N 2.92Å
369	V	98.9	Very high	98.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-38.2	-178.8	178	0	0	0	0	111.5	A293 A296 L297 M327 K330 V331 I365 D372 A373	A293-V369 HydrophobicContact CB-CB 4.26Å; A293-V369 HydrophobicContact CB-CG1 4.28Å; A293-V369 WeakPolarHBondContact O-CG1 3.29Å; A296-V369 HydrophobicContact CB-CG1 3.96Å; L297-V369 HydrophobicContact CB-CG1 4.41Å; M327-V369 HydrophobicContact CB-CG1 4.21Å; M327-V369 HydrophobicContact CB-CG2 4.3Å; M327-V369 HydrophobicContact CE-CG1 3.57Å; M327-V369 HydrophobicContact CG-CG1 4.17Å; M327-V369 HydrophobicContact CG-CG2 4.28Å; K330-V369 HydrophobicContact CB-CG2 4.38Å; K330-V369 HydrophobicContact CD-CG2 4.44Å; V331-V369 HydrophobicContact CG2-CG1 4.48Å; V331-V369 HydrophobicContact CG2-CG2 4.46Å; I365-V369 WeakPolarHBondContact O-CB 3.48Å; I365-V369 VanDerWaalsContact O-CG2 3.23Å; I365-V369 WeakPolarHBondContact O-CG2 3.47Å; I365-V369 PolarHBondContact O-N 3.47Å; V369-D372 PolarHBondContact O-N 3.33Å; V369-A373 WeakPolarHBondContact O-CB 3.02Å; V369-A373 PolarHBondContact O-N 3.39Å
370	A	98.9	Very high	98.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-40.3	175.1	0	0	0	0	0	112.7	L292 A296 A366 Q368 A373 V374 L391 M392 A395	L292-A370 HydrophobicContact CD2-CB 4.06Å; A296-A370 HydrophobicContact CB-CB 4.43Å; A366-A370 WeakPolarHBondContact O-CB 3.49Å; A366-A370 PolarHBondContact O-N 3.39Å; A366-A370 VanDerWaalsContact O-N 3.08Å; Q368-A370 VanDerWaalsContact C-N 3.32Å; Q368-A370 PolarHBondContact O-N 3.06Å; A370-A373 PolarHBondContact O-N 2.88Å; A370-V374 PolarHBondContact O-N 3.23Å; A370-L391 HydrophobicContact CB-CB 4.3Å; A370-M392 HydrophobicContact CB-CB 4.35Å; A370-A395 HydrophobicContact CB-CB 4.04Å
371	S	98.9	Very high	98.9	Very high	48 Å²	48	31.3 Å²	31.3	34%	0.336	19%	0.185	S	C	.	.	H	α-helix	trans	-66.9	-40.3	174.6	-170.5	0	0	0	0	112	N367 Q368 A373 V374 Q375	N367-S371 WeakPolarHBondContact O-CB 3.23Å; N367-S371 PolarHBondContact O-N 3.07Å; N367-S371 VanDerWaalsContact O-N 3.14Å; Q368-S371 PolarHBondContact O-N 2.76Å; Q368-S371 VanDerWaalsContact O-N 3.12Å; S371-A373 VanDerWaalsContact C-N 3.31Å; S371-A373 PolarHBondContact O-N 3.12Å; S371-V374 WeakPolarHBondContact O-CB 3.32Å; S371-V374 PolarHBondContact O-N 2.71Å; S371-Q375 PolarHBondContact O-N 3.4Å
372	D	98.9	Very high	98.9	Very high	26 Å²	26	36.1 Å²	36.1	14%	0.139	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-37	177.3	-67	-21.4	0	0	0	110.8	L323 M327 Q368 V369 Q375 V376	L323-D372 HydrophobicContact CD1-CB 3.96Å; L323-D372 HydrophobicContact CD2-CB 4.24Å; L323-D372 HydrophobicContact CG-CB 4.2Å; M327-D372 HydrophobicContact CE-CB 4.38Å; M327-D372 HydrophobicContact CG-CB 4.16Å; M327-D372 HydrophobicContact SD-CB 3.82Å; Q368-D372 WeakPolarHBondContact CG-OD2 3.39Å; Q368-D372 WeakPolarHBondContact O-CB 3.5Å; Q368-D372 PolarHBondContact O-N 2.92Å; V369-D372 PolarHBondContact O-N 3.33Å; D372-Q375 WeakPolarHBondContact O-CA 3.44Å; D372-Q375 WeakPolarHBondContact O-CB 3.37Å; D372-Q375 PolarHBondContact O-N 2.9Å; D372-Q375 VanDerWaalsContact O-N 3.11Å; D372-V376 WeakPolarHBondContact O-CG2 3.28Å; D372-V376 PolarHBondContact O-N 2.79Å
373	A	98.9	Very high	98.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-43.8	173.3	0	0	0	0	0	112.3	A296 A300 M327 V369 A370 S371 Q375 V376 F377 V388	A296-A373 HydrophobicContact CB-CB 3.88Å; A296-A373 WeakPolarHBondContact O-CB 3.44Å; A300-A373 HydrophobicContact CB-CB 3.95Å; M327-A373 HydrophobicContact CE-CB 4.23Å; V369-A373 WeakPolarHBondContact O-CB 3.02Å; V369-A373 PolarHBondContact O-N 3.39Å; A370-A373 PolarHBondContact O-N 2.88Å; S371-A373 VanDerWaalsContact C-N 3.31Å; S371-A373 PolarHBondContact O-N 3.12Å; A373-Q375 VanDerWaalsContact C-N 3.25Å; A373-Q375 PolarHBondContact O-N 2.94Å; A373-V376 PolarHBondContact O-N 2.86Å; A373-F377 VanDerWaalsContact O-CD2 3.32Å; A373-F377 WeakPolarHBondContact O-CD2 3.15Å; A373-F377 PolarHBondContact O-N 3.35Å; A373-V388 HydrophobicContact CB-CB 4.3Å; A373-V388 HydrophobicContact CB-CG1 3.93Å
374	V	98.9	Very high	98.8	Very high	22 Å²	22	42.6 Å²	42.6	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-43.4	171	170.5	0	0	0	0	110.6	A370 S371 V376 F377 G378 V388 M392	A370-V374 PolarHBondContact O-N 3.23Å; S371-V374 WeakPolarHBondContact O-CB 3.32Å; S371-V374 PolarHBondContact O-N 2.71Å; V374-V376 PolarHBondContact O-N 2.81Å; V374-F377 PolarHBondContact O-N 2.97Å; V374-G378 PolarHBondContact O-N 3.26Å; V374-G378 VanDerWaalsContact O-N 3.11Å; V374-V388 HydrophobicContact CB-CG2 4.49Å; V374-V388 HydrophobicContact CG2-CB 4.02Å; V374-V388 HydrophobicContact CG2-CG2 3.93Å; V374-M392 HydrophobicContact CG2-CB 4.17Å; V374-M392 HydrophobicContact CG2-SD 4.18Å
375	Q	98.9	Very high	98.8	Very high	137 Å²	137	48 Å²	48	64%	0.64	27%	0.27	S	S	*	.	H	α-helix	trans	-63.8	-39.8	180	-171.8	60.6	57.2	0	0	113	S371 D372 A373 F377 G378	S371-Q375 PolarHBondContact O-N 3.4Å; D372-Q375 WeakPolarHBondContact O-CA 3.44Å; D372-Q375 WeakPolarHBondContact O-CB 3.37Å; D372-Q375 PolarHBondContact O-N 2.9Å; D372-Q375 VanDerWaalsContact O-N 3.11Å; A373-Q375 VanDerWaalsContact C-N 3.25Å; A373-Q375 PolarHBondContact O-N 2.94Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; Q375-F377 PolarHBondContact O-N 3.18Å; Q375-G378 PolarHBondContact O-N 3.24Å; Q375-G378 VanDerWaalsContact O-N 3.16Å
376	V	98.9	Very high	98.8	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-37.8	175.9	172.2	0	0	0	0	111.5	A300 A304 I314 L323 D372 A373 V374 G378	A300-V376 HydrophobicContact CB-CB 4.16Å; A300-V376 HydrophobicContact CB-CG1 4.21Å; A300-V376 HydrophobicContact CB-CG2 4.32Å; A304-V376 HydrophobicContact CB-CG1 4.09Å; I314-V376 HydrophobicContact CD1-CG1 4.06Å; L323-V376 HydrophobicContact CD2-CG2 3.77Å; D372-V376 WeakPolarHBondContact O-CG2 3.28Å; D372-V376 PolarHBondContact O-N 2.79Å; A373-V376 PolarHBondContact O-N 2.86Å; V374-V376 PolarHBondContact O-N 2.81Å; V376-G378 VanDerWaalsContact C-N 3.28Å; V376-G378 PolarHBondContact O-N 3.24Å
377	F	98.9	Very high	98.8	Very high	12 Å²	12	53.5 Å²	53.5	5%	0.053	30%	0.296	C	S	.	.	H	α-helix	trans	-72.6	-20.3	175.4	-84.5	-111	0	0	0	113.4	E299 Y303 A373 V374 Q375 N380 G381 Y386 V388	E299-F377 HydrophobicContact CB-CE2 4.2Å; E299-F377 HydrophobicContact CB-CZ 4.3Å; E299-F377 VanDerWaalsContact O-CE2 3.27Å; E299-F377 WeakPolarHBondContact O-CE2 3.37Å; E299-F377 WeakPolarHBondContact O-CZ 3.36Å; Y303-F377 VanDerWaalsContact CB-CZ 3.41Å; Y303-F377 HydrophobicContact CD1-CB 4.4Å; Y303-F377 HydrophobicContact CD1-CD1 4.1Å; Y303-F377 HydrophobicContact CD1-CD2 4.08Å; Y303-F377 HydrophobicContact CD1-CE1 4.41Å; Y303-F377 HydrophobicContact CD1-CE2 4.44Å; Y303-F377 AromaticContact CD1-CG 3.93Å; Y303-F377 HydrophobicContact CD1-CG 3.93Å; Y303-F377 AromaticContact CD2-CD1 3.7Å; Y303-F377 HydrophobicContact CD2-CD1 3.7Å; Y303-F377 AromaticContact CD2-CE1 3.47Å; Y303-F377 HydrophobicContact CD2-CE1 3.47Å; Y303-F377 VanDerWaalsContact CD2-CE1 3.47Å; Y303-F377 HydrophobicContact CD2-CG 4.35Å; Y303-F377 AromaticContact CD2-CZ 3.99Å; Y303-F377 HydrophobicContact CD2-CZ 3.99Å; Y303-F377 HydrophobicContact CE1-CB 4.33Å; Y303-F377 HydrophobicContact CE1-CD1 4.3Å; Y303-F377 HydrophobicContact CE1-CG 4.23Å; Y303-F377 AromaticContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CD1 3.93Å; Y303-F377 HydrophobicContact CE2-CE1 4.08Å; Y303-F377 AromaticContact CG-CD1 3.78Å; Y303-F377 HydrophobicContact CG-CD1 3.78Å; Y303-F377 HydrophobicContact CG-CD2 4.04Å; Y303-F377 AromaticContact CG-CE1 3.65Å; Y303-F377 HydrophobicContact CG-CE1 3.65Å; Y303-F377 AromaticContact CG-CE2 3.96Å; Y303-F377 HydrophobicContact CG-CE2 3.96Å; Y303-F377 AromaticContact CG-CG 3.98Å; Y303-F377 HydrophobicContact CG-CG 3.98Å; Y303-F377 AromaticContact CG-CZ 3.78Å; Y303-F377 HydrophobicContact CG-CZ 3.78Å; A373-F377 VanDerWaalsContact O-CD2 3.32Å; A373-F377 WeakPolarHBondContact O-CD2 3.15Å; A373-F377 PolarHBondContact O-N 3.35Å; V374-F377 PolarHBondContact O-N 2.97Å; Q375-F377 VanDerWaalsContact C-N 3.33Å; Q375-F377 PolarHBondContact O-N 3.18Å; F377-N380 HydrophobicContact CB-CB 4.48Å; F377-N380 HydrophobicContact CD1-CB 4.37Å; F377-N380 PolarHBondContact O-N 2.88Å; F377-G381 VanDerWaalsContact CB-CA 3.4Å; F377-G381 VanDerWaalsContact CB-N 3.35Å; F377-Y386 AromaticContact CD1-CD1 3.71Å; F377-Y386 HydrophobicContact CD1-CD1 3.71Å; F377-Y386 HydrophobicContact CD1-CE1 4.24Å; F377-Y386 HydrophobicContact CD1-CG 4.18Å; F377-Y386 AromaticContact CE1-CD1 3.5Å; F377-Y386 HydrophobicContact CE1-CD1 3.5Å; F377-Y386 VanDerWaalsContact CE1-CD1 3.5Å; F377-Y386 HydrophobicContact CE1-CE1 4.07Å; F377-Y386 HydrophobicContact CE1-CG 4.31Å; F377-V388 HydrophobicContact CB-CG2 4.28Å; F377-V388 HydrophobicContact CD1-CG2 4.49Å; F377-V388 HydrophobicContact CD2-CG1 4Å; F377-V388 HydrophobicContact CD2-CG2 4.09Å; F377-V388 HydrophobicContact CE2-CG1 3.73Å; F377-V388 HydrophobicContact CG-CG2 4.05Å; F377-V388 HydrophobicContact CZ-CG1 4.24Å
378	G	98.7	Very high	98.8	Very high	35 Å²	35	52.2 Å²	52.2	36%	0.361	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	62.7	-134.6	-175.7	0	0	0	0	0	111.6	V374 Q375 V376 N380 G381	V374-G378 PolarHBondContact O-N 3.26Å; V374-G378 VanDerWaalsContact O-N 3.11Å; Q375-G378 PolarHBondContact O-N 3.24Å; Q375-G378 VanDerWaalsContact O-N 3.16Å; V376-G378 VanDerWaalsContact C-N 3.28Å; V376-G378 PolarHBondContact O-N 3.24Å; G378-N380 PolarHBondContact O-N 3.5Å; G378-G381 PolarHBondContact O-N 2.8Å
379	G	98.6	Very high	98.8	Very high	67 Å²	67	49.7 Å²	49.7	69%	0.691	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-57.2	-32.6	-179	0	0	0	0	0	114.1	G381 F382	G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.12Å; G379-F382 PolarHBondContact O-N 2.96Å
380	N	98.8	Very high	98.8	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-65.6	-33.7	175.4	-76.2	-7.3	0	0	0	112	Y303 F377 G378 F382 N383 Y386	Y303-N380 PolarHBondContact OH-ND2 3.21Å; F377-N380 HydrophobicContact CB-CB 4.48Å; F377-N380 HydrophobicContact CD1-CB 4.37Å; F377-N380 PolarHBondContact O-N 2.88Å; G378-N380 PolarHBondContact O-N 3.5Å; N380-F382 PolarHBondContact O-N 3.39Å; N380-N383 WeakPolarHBondContact O-CB 3.32Å; N380-N383 PolarHBondContact O-N 3.44Å; N380-Y386 HydrophobicContact CB-CD1 4.49Å; N380-Y386 HydrophobicContact CB-CD2 3.68Å; N380-Y386 HydrophobicContact CB-CE1 4.31Å; N380-Y386 HydrophobicContact CB-CE2 3.47Å; N380-Y386 VanDerWaalsContact CB-CE2 3.47Å; N380-Y386 HydrophobicContact CB-CG 4.18Å; N380-Y386 VanDerWaalsContact CG-CE2 3.46Å; N380-Y386 PolarHBondContact ND2-OH 2.92Å; N380-Y386 WeakPolarHBondContact O-CB 3.42Å; N380-Y386 WeakPolarHBondContact O-CD2 3.28Å
381	G	98.8	Very high	98.8	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-69.5	-19	-178.8	0	0	0	0	0	113.3	F377 G378 G379 E389	F377-G381 VanDerWaalsContact CB-CA 3.4Å; F377-G381 VanDerWaalsContact CB-N 3.35Å; G378-G381 PolarHBondContact O-N 2.8Å; G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.12Å; G381-E389 WeakPolarHBondContact O-CB 3.45Å
382	F	98.8	Very high	98.8	Very high	178 Å²	178	52.8 Å²	52.8	78%	0.781	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-88	-6.8	174.5	-170.3	-113.4	0	0	0	112.9	G379 N380	G379-F382 PolarHBondContact O-N 2.96Å; N380-F382 PolarHBondContact O-N 3.39Å
383	N	98.7	Very high	98.8	Very high	72 Å²	72	53.5 Å²	53.5	39%	0.385	29%	0.288	S	S	.	.	S	Bend	trans	-99.4	138.8	-176.2	-177.5	-80.4	0	0	0	111.3	N380 E385 Y386	N380-N383 WeakPolarHBondContact O-CB 3.32Å; N380-N383 PolarHBondContact O-N 3.44Å; N383-E385 PolarHBondContact O-N 3.48Å; N383-E385 WeakPolarHBondContact OD1-CB 3.49Å; N383-E385 VanDerWaalsContact OD1-CG 3.25Å; N383-E385 WeakPolarHBondContact OD1-CG 3.45Å; N383-E385 PolarHBondContact OD1-N 2.94Å; N383-Y386 HydrophobicContact CB-CD2 4.44Å; N383-Y386 PolarHBondContact O-N 3.21Å
384	S	98	Very high	98.8	Very high	67 Å²	67	53.5 Å²	53.5	47%	0.469	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.6	-175.7	57.6	0	0	0	0	115.7	Y386	S384-Y386 VanDerWaalsContact C-N 3.26Å
385	E	98.2	Very high	98.8	Very high	152 Å²	152	52.5 Å²	52.5	71%	0.71	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.2	168.3	-60.7	-60.5	152	0	0	111.8	N383	N383-E385 PolarHBondContact O-N 3.48Å; N383-E385 WeakPolarHBondContact OD1-CB 3.49Å; N383-E385 VanDerWaalsContact OD1-CG 3.25Å; N383-E385 WeakPolarHBondContact OD1-CG 3.45Å; N383-E385 PolarHBondContact OD1-N 2.94Å
386	Y	98.8	Very high	98.8	Very high	82 Å²	82	50 Å²	50	32%	0.322	27%	0.269	S	S	.	.	S	Bend	trans	-104.1	147.9	177	-69.8	-86	0	0	0	111.5	F377 N380 N383 S384 V388	F377-Y386 AromaticContact CD1-CD1 3.71Å; F377-Y386 HydrophobicContact CD1-CD1 3.71Å; F377-Y386 HydrophobicContact CD1-CE1 4.24Å; F377-Y386 HydrophobicContact CD1-CG 4.18Å; F377-Y386 AromaticContact CE1-CD1 3.5Å; F377-Y386 HydrophobicContact CE1-CD1 3.5Å; F377-Y386 VanDerWaalsContact CE1-CD1 3.5Å; F377-Y386 HydrophobicContact CE1-CE1 4.07Å; F377-Y386 HydrophobicContact CE1-CG 4.31Å; N380-Y386 HydrophobicContact CB-CD1 4.49Å; N380-Y386 HydrophobicContact CB-CD2 3.68Å; N380-Y386 HydrophobicContact CB-CE1 4.31Å; N380-Y386 HydrophobicContact CB-CE2 3.47Å; N380-Y386 VanDerWaalsContact CB-CE2 3.47Å; N380-Y386 HydrophobicContact CB-CG 4.18Å; N380-Y386 VanDerWaalsContact CG-CE2 3.46Å; N380-Y386 PolarHBondContact ND2-OH 2.92Å; N380-Y386 WeakPolarHBondContact O-CB 3.42Å; N380-Y386 WeakPolarHBondContact O-CD2 3.28Å; N383-Y386 HydrophobicContact CB-CD2 4.44Å; N383-Y386 PolarHBondContact O-N 3.21Å; S384-Y386 VanDerWaalsContact C-N 3.26Å; Y386-V388 PolarHBondContact O-N 2.71Å
387	P	98.6	Very high	98.8	Very high	41 Å²	41	51.7 Å²	51.7	27%	0.266	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.8	-168.1	28	-34.3	0	0	0	114	E299 E389 K390 L391	E299-P387 VanDerWaalsContact CD-CG 3.5Å; E299-P387 HydrophobicContact CG-CG 3.99Å; E299-P387 WeakPolarHBondContact OE2-CG 3.42Å; P387-E389 PolarHBondContact O-N 3.44Å; P387-K390 PolarHBondContact O-N 3.4Å; P387-L391 PolarHBondContact O-N 3.31Å
388	V	98.9	Very high	98.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-72.1	-27.4	-165.3	-65.9	0	0	0	0	114.3	E299 A373 V374 F377 Y386 K390 L391 M392	E299-V388 HydrophobicContact CB-CG1 3.9Å; A373-V388 HydrophobicContact CB-CB 4.3Å; A373-V388 HydrophobicContact CB-CG1 3.93Å; V374-V388 HydrophobicContact CB-CG2 4.49Å; V374-V388 HydrophobicContact CG2-CB 4.02Å; V374-V388 HydrophobicContact CG2-CG2 3.93Å; F377-V388 HydrophobicContact CB-CG2 4.28Å; F377-V388 HydrophobicContact CD1-CG2 4.49Å; F377-V388 HydrophobicContact CD2-CG1 4Å; F377-V388 HydrophobicContact CD2-CG2 4.09Å; F377-V388 HydrophobicContact CE2-CG1 3.73Å; F377-V388 HydrophobicContact CG-CG2 4.05Å; F377-V388 HydrophobicContact CZ-CG1 4.24Å; Y386-V388 PolarHBondContact O-N 2.71Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.46Å; V388-L391 HydrophobicContact CG1-CD1 4.47Å; V388-L391 PolarHBondContact O-N 3.27Å; V388-M392 PolarHBondContact O-N 2.77Å
389	E	98.9	Very high	98.8	Very high	40 Å²	40	51.3 Å²	51.3	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-40	175.3	73.1	80	-163.9	0	0	111.5	G381 P387 L391 M392 R393	G381-E389 WeakPolarHBondContact O-CB 3.45Å; P387-E389 PolarHBondContact O-N 3.44Å; E389-L391 VanDerWaalsContact C-N 3.33Å; E389-L391 PolarHBondContact O-N 2.95Å; E389-M392 WeakPolarHBondContact O-CB 3.4Å; E389-M392 PolarHBondContact O-N 3.48Å; E389-R393 PolarHBondContact O-N 2.82Å; E389-R393 IonicContact OE1-CZ 3.21Å; E389-R393 IonicContact OE1-NE 3.9Å; E389-R393 IonicContact OE1-NH2 2.82Å; E389-R393 PolarHBondContact OE1-NH2 2.98Å; E389-R393 IonicContact OE2-CZ 2.72Å; E389-R393 IonicContact OE2-NE 2.73Å; E389-R393 PolarHBondContact OE2-NE 3.19Å; E389-R393 IonicContact OE2-NH2 2.75Å; E389-R393 PolarHBondContact OE2-NH2 3.5Å
390	K	98.9	Very high	98.8	Very high	16 Å²	16	52.2 Å²	52.2	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-43.6	175.2	176.2	-176	171.6	-65	0	110.7	D69 C117 P387 V388 M392 R393 D394	D69-K390 HydrophobicContact CB-CD 3.73Å; D69-K390 VanDerWaalsContact CB-CE 3.47Å; D69-K390 HydrophobicContact CB-CG 4.42Å; C117-K390 PolarHBondContact SG-NZ 2.92Å; P387-K390 PolarHBondContact O-N 3.4Å; V388-K390 VanDerWaalsContact C-N 3.33Å; V388-K390 PolarHBondContact O-N 3.46Å; K390-M392 VanDerWaalsContact C-N 3.28Å; K390-M392 PolarHBondContact O-N 2.84Å; K390-R393 PolarHBondContact O-N 3.13Å; K390-D394 IonicContact NZ-OD2 3Å; K390-D394 PolarHBondContact NZ-OD2 2.93Å; K390-D394 VanDerWaalsContact O-CB 3.31Å; K390-D394 WeakPolarHBondContact O-CB 3.49Å; K390-D394 PolarHBondContact O-N 3.23Å
391	L	98.9	Very high	98.8	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-40.4	177.6	-57	177.4	0	0	0	111.1	L292 R295 A296 A370 P387 V388 E389 D394 A395	L292-L391 HydrophobicContact CD2-CB 4.32Å; L292-L391 HydrophobicContact CG-CD2 4.35Å; R295-L391 HydrophobicContact CB-CD1 4.34Å; R295-L391 HydrophobicContact CG-CD1 3.83Å; R295-L391 HydrophobicContact CG-CD2 4.05Å; A296-L391 HydrophobicContact CB-CD1 3.91Å; A370-L391 HydrophobicContact CB-CB 4.3Å; P387-L391 PolarHBondContact O-N 3.31Å; V388-L391 HydrophobicContact CG1-CD1 4.47Å; V388-L391 PolarHBondContact O-N 3.27Å; E389-L391 VanDerWaalsContact C-N 3.33Å; E389-L391 PolarHBondContact O-N 2.95Å; L391-D394 PolarHBondContact O-N 2.7Å; L391-A395 VanDerWaalsContact O-CB 3.25Å; L391-A395 WeakPolarHBondContact O-CB 3.48Å; L391-A395 PolarHBondContact O-N 2.95Å
392	M	98.9	Very high	98.7	Very high	85 Å²	85	53.5 Å²	53.5	42%	0.419	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-44.2	176	-172.8	-176.6	-178.1	0	0	112.1	A370 V374 V388 E389 K390	A370-M392 HydrophobicContact CB-CB 4.35Å; V374-M392 HydrophobicContact CG2-CB 4.17Å; V374-M392 HydrophobicContact CG2-SD 4.18Å; V388-M392 PolarHBondContact O-N 2.77Å; E389-M392 WeakPolarHBondContact O-CB 3.4Å; E389-M392 PolarHBondContact O-N 3.48Å; K390-M392 VanDerWaalsContact C-N 3.28Å; K390-M392 PolarHBondContact O-N 2.84Å
393	R	98.9	Very high	98.6	Very high	41 Å²	41	46 Å²	46	16%	0.155	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-46.2	175.4	-72.2	-173.4	-68.5	101.3	-2.7	112.1	D69 M241 E389 K390	D69-R393 IonicContact OD1-CZ 2.87Å; D69-R393 IonicContact OD1-NH1 3.15Å; D69-R393 PolarHBondContact OD1-NH1 2.85Å; D69-R393 IonicContact OD1-NH2 2.93Å; D69-R393 IonicContact OD2-CZ 2.94Å; D69-R393 IonicContact OD2-NH1 3.48Å; D69-R393 PolarHBondContact OD2-NH1 2.73Å; D69-R393 IonicContact OD2-NH2 3.34Å; D69-R393 PolarHBondContact OD2-NH2 3Å; M241-R393 WeakPolarHBondContact CE-O 3.42Å; M241-R393 HydrophobicContact CG-CB 4.09Å; M241-R393 HydrophobicContact CG-CG 3.93Å; M241-R393 WeakPolarHBondContact O-CD 3.37Å; M241-R393 PolarHBondContact O-NH1 3.48Å; M241-R393 VanDerWaalsContact O-NH1 3.09Å; E389-R393 PolarHBondContact O-N 2.82Å; E389-R393 IonicContact OE1-CZ 3.21Å; E389-R393 IonicContact OE1-NE 3.9Å; E389-R393 IonicContact OE1-NH2 2.82Å; E389-R393 PolarHBondContact OE1-NH2 2.98Å; E389-R393 IonicContact OE2-CZ 2.72Å; E389-R393 IonicContact OE2-NE 2.73Å; E389-R393 PolarHBondContact OE2-NE 3.19Å; E389-R393 IonicContact OE2-NH2 2.75Å; E389-R393 PolarHBondContact OE2-NH2 3.5Å; K390-R393 PolarHBondContact O-N 3.13Å
394	D	98.9	Very high	98.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-37.2	-178.4	-72.7	-1.5	0	0	0	112	T118 G242 Q243 L292 K390 L391 K396 I397	T118-D394 WeakPolarHBondContact OG1-CB 3.38Å; G242-D394 VanDerWaalsContact CA-OD1 3.3Å; G242-D394 WeakPolarHBondContact CA-OD1 3.18Å; Q243-D394 HydrophobicContact CG-CB 4.37Å; Q243-D394 PolarHBondContact N-OD1 2.68Å; L292-D394 HydrophobicContact CD1-CB 3.68Å; K390-D394 IonicContact NZ-OD2 3Å; K390-D394 PolarHBondContact NZ-OD2 2.93Å; K390-D394 VanDerWaalsContact O-CB 3.31Å; K390-D394 WeakPolarHBondContact O-CB 3.49Å; K390-D394 PolarHBondContact O-N 3.23Å; L391-D394 PolarHBondContact O-N 2.7Å; D394-K396 PolarHBondContact O-N 2.93Å; D394-I397 WeakPolarHBondContact O-CG2 3.3Å
395	A	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-31.5	-177.6	0	0	0	0	0	113.1	L292 A366 N367 A370 L391 I397 Y398	L292-A395 HydrophobicContact CD1-CB 4.19Å; L292-A395 HydrophobicContact CD2-CB 3.78Å; A366-A395 HydrophobicContact CB-CB 4.49Å; N367-A395 PolarHBondContact ND2-O 3.02Å; A370-A395 HydrophobicContact CB-CB 4.04Å; L391-A395 VanDerWaalsContact O-CB 3.25Å; L391-A395 WeakPolarHBondContact O-CB 3.48Å; L391-A395 PolarHBondContact O-N 2.95Å; A395-I397 VanDerWaalsContact C-N 3.26Å; A395-I397 PolarHBondContact O-N 3.24Å; A395-Y398 PolarHBondContact O-N 3.39Å
396	K	98.9	Very high	98.6	Very high	84 Å²	84	39.8 Å²	39.8	37%	0.365	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-60.9	-34.5	-170.4	-173.1	67.3	-152.9	170.3	0	113.9	M241 N367 D394 Y398 Q399 I400	M241-K396 HydrophobicContact CE-CB 3.24Å; M241-K396 HydrophobicContact CE-CG 3.61Å; N367-K396 VanDerWaalsContact OD1-CA 3.23Å; N367-K396 WeakPolarHBondContact OD1-CA 3.19Å; D394-K396 PolarHBondContact O-N 2.93Å; K396-Y398 PolarHBondContact O-N 2.86Å; K396-Q399 PolarHBondContact O-N 3.18Å; K396-I400 HydrophobicContact CG-CD1 4.33Å
397	I	98.9	Very high	98.6	Very high	49 Å²	49	37.9 Å²	37.9	25%	0.251	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-66.1	-26.2	-175.6	-161.3	64.5	0	0	0	112.6	Q243 D394 A395 Q399 I400 Y401	Q243-I397 HydrophobicContact CG-CG2 4.28Å; D394-I397 WeakPolarHBondContact O-CG2 3.3Å; A395-I397 VanDerWaalsContact C-N 3.26Å; A395-I397 PolarHBondContact O-N 3.24Å; I397-Q399 PolarHBondContact O-N 2.7Å; I397-Q399 VanDerWaalsContact O-N 3.17Å; I397-I400 HydrophobicContact CD1-CB 4.31Å; I397-I400 WeakPolarHBondContact O-CA 3.17Å; I397-I400 PolarHBondContact O-N 2.89Å; I397-Y401 HydrophobicContact CG1-CD1 4.34Å; I397-Y401 HydrophobicContact CG1-CD2 3.83Å; I397-Y401 HydrophobicContact CG1-CE2 4.24Å; I397-Y401 HydrophobicContact CG1-CG 3.91Å; I397-Y401 HydrophobicContact CG2-CE1 4.4Å; I397-Y401 HydrophobicContact CG2-CE2 4.29Å; I397-Y401 WeakPolarHBondContact O-CD1 3.4Å; I397-Y401 PolarHBondContact O-N 2.67Å
398	Y	98.9	Very high	98.6	Very high	2 Å²	2	36 Å²	36	1%	0.008	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.7	-19.3	178	-70.2	-78.7	0	0	0	113.5	T118 V285 A289 L292 K359 A395 K396 I400 Y401	T118-Y398 VanDerWaalsContact CB-OH 3.3Å; T118-Y398 WeakPolarHBondContact CB-OH 3.47Å; T118-Y398 HydrophobicContact CG2-CE2 4Å; T118-Y398 WeakPolarHBondContact CG2-OH 3.36Å; V285-Y398 HydrophobicContact CG1-CD1 3.99Å; V285-Y398 HydrophobicContact CG1-CE1 4.24Å; V285-Y398 WeakPolarHBondContact O-CE1 3.36Å; A289-Y398 HydrophobicContact CB-CD1 3.6Å; A289-Y398 HydrophobicContact CB-CD2 4.21Å; A289-Y398 HydrophobicContact CB-CE1 3.98Å; A289-Y398 HydrophobicContact CB-CG 3.73Å; L292-Y398 HydrophobicContact CD1-CE2 4.17Å; K359-Y398 WeakPolarHBondContact CE-O 3.33Å; K359-Y398 PolarHBondContact NZ-O 2.95Å; A395-Y398 PolarHBondContact O-N 3.39Å; K396-Y398 PolarHBondContact O-N 2.86Å; Y398-I400 VanDerWaalsContact C-N 3.34Å; Y398-Y401 AromaticContact CD1-CE1 3.69Å; Y398-Y401 HydrophobicContact CD1-CE1 3.69Å; Y398-Y401 WeakPolarHBondContact CD1-OH 3.32Å; Y398-Y401 HydrophobicContact CE1-CE1 4.14Å; Y398-Y401 AromaticContact CE1-CZ 3.99Å; Y398-Y401 WeakPolarHBondContact CE1-OH 3.48Å; Y398-Y401 HydrophobicContact CG-CE1 4.25Å
399	Q	98.9	Very high	98.6	Very high	38 Å²	38	41.9 Å²	41.9	18%	0.178	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-85.9	-4.4	171.4	-71.9	-179.7	-40.5	0	0	113.6	D364 K396 I397 T404 A405	D364-Q399 PolarHBondContact OD1-NE2 2.81Å; K396-Q399 PolarHBondContact O-N 3.18Å; I397-Q399 PolarHBondContact O-N 2.7Å; I397-Q399 VanDerWaalsContact O-N 3.17Å; Q399-T404 CarbonylContact O-C 3.51Å; Q399-T404 WeakPolarHBondContact O-CA 3.27Å; Q399-A405 HydrophobicContact CB-CB 4.38Å; Q399-A405 PolarHBondContact O-N 3.46Å
400	I	98.8	Very high	98.6	Very high	85 Å²	85	44.4 Å²	44.4	44%	0.436	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-65.5	-168.6	-57.7	173.1	0	0	0	111.5	K396 I397 Y398 G403 T404	K396-I400 HydrophobicContact CG-CD1 4.33Å; I397-I400 HydrophobicContact CD1-CB 4.31Å; I397-I400 WeakPolarHBondContact O-CA 3.17Å; I397-I400 PolarHBondContact O-N 2.89Å; Y398-I400 VanDerWaalsContact C-N 3.34Å; I400-G403 CarbonylContact O-C 3.34Å; I400-T404 WeakPolarHBondContact O-CA 3.19Å; I400-T404 WeakPolarHBondContact O-CG2 3.08Å; I400-T404 PolarHBondContact O-N 3.46Å
401	Y	98.4	Very high	98.6	Very high	51 Å²	51	44.2 Å²	44.2	20%	0.2	21%	0.212	C	C	.	.	S	Bend	trans	-72	168.5	-174.5	73.7	-6.8	0	0	0	112.7	T122 V285 K359 I397 Y398 G403	T122-Y401 HydrophobicContact CG2-CE2 4.26Å; V285-Y401 HydrophobicContact CG1-CD1 4.49Å; V285-Y401 HydrophobicContact CG1-CE1 3.65Å; K359-Y401 WeakPolarHBondContact CE-O 3.4Å; K359-Y401 PolarHBondContact NZ-O 3.22Å; I397-Y401 HydrophobicContact CG1-CD1 4.34Å; I397-Y401 HydrophobicContact CG1-CD2 3.83Å; I397-Y401 HydrophobicContact CG1-CE2 4.24Å; I397-Y401 HydrophobicContact CG1-CG 3.91Å; I397-Y401 HydrophobicContact CG2-CE1 4.4Å; I397-Y401 HydrophobicContact CG2-CE2 4.29Å; I397-Y401 WeakPolarHBondContact O-CD1 3.4Å; I397-Y401 PolarHBondContact O-N 2.67Å; Y398-Y401 AromaticContact CD1-CE1 3.69Å; Y398-Y401 HydrophobicContact CD1-CE1 3.69Å; Y398-Y401 WeakPolarHBondContact CD1-OH 3.32Å; Y398-Y401 HydrophobicContact CE1-CE1 4.14Å; Y398-Y401 AromaticContact CE1-CZ 3.99Å; Y398-Y401 WeakPolarHBondContact CE1-OH 3.48Å; Y398-Y401 HydrophobicContact CG-CE1 4.25Å; Y401-G403 PolarHBondContact O-N 3.26Å; Y401-G403 VanDerWaalsContact O-N 3.09Å
402	E	96.8	Very high	98.6	Very high	28 Å²	28	45.4 Å²	45.4	13%	0.131	22%	0.218	C	C	.	.	S	Bend	trans	53.2	34.1	-179.4	-69.2	-70.4	108.3	0	0	113.2	L129 F278 T281 V285 Q408	L129-E402 WeakPolarHBondContact CD2-OE1 3.49Å; F278-E402 VanDerWaalsContact CD1-OE2 3.29Å; F278-E402 WeakPolarHBondContact CD1-OE2 3.45Å; F278-E402 WeakPolarHBondContact CE1-OE1 3.49Å; F278-E402 WeakPolarHBondContact CE1-OE2 3.48Å; T281-E402 PolarHBondContact OG1-OE2 3.22Å; T281-E402 VanDerWaalsContact OG1-OE2 3.07Å; V285-E402 HydrophobicContact CG1-CB 4.32Å; V285-E402 HydrophobicContact CG2-CB 4.27Å; V285-E402 HydrophobicContact CG2-CG 3.82Å; E402-Q408 PolarHBondContact O-NE2 3.24Å
403	G	96.9	Very high	98.5	Very high	20 Å²	20	43.5 Å²	43.5	21%	0.206	21%	0.214	C	C	.	.	S	Bend	trans	87.9	116.9	-175.9	0	0	0	0	0	112.5	K359 I400 Y401 Q408	K359-G403 WeakPolarHBondContact CE-O 3.23Å; K359-G403 PolarHBondContact NZ-O 2.86Å; I400-G403 CarbonylContact O-C 3.34Å; Y401-G403 PolarHBondContact O-N 3.26Å; Y401-G403 VanDerWaalsContact O-N 3.09Å; G403-Q408 PolarHBondContact O-NE2 3.04Å
404	T	98.7	Very high	98.5	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.16	23%	0.231	C	C	.	.			trans	-58.7	161.7	-176.1	75.7	0	0	0	0	112.9	Q399 I400 Q406 I407 Q408	Q399-T404 CarbonylContact O-C 3.51Å; Q399-T404 WeakPolarHBondContact O-CA 3.27Å; I400-T404 WeakPolarHBondContact O-CA 3.19Å; I400-T404 WeakPolarHBondContact O-CG2 3.08Å; I400-T404 PolarHBondContact O-N 3.46Å; T404-Q406 PolarHBondContact O-N 3.44Å; T404-Q406 VanDerWaalsContact O-N 3.08Å; T404-Q406 PolarHBondContact OG1-N 2.7Å; T404-Q406 PolarHBondContact OG1-OE1 3.44Å; T404-I407 PolarHBondContact O-N 2.78Å; T404-I407 WeakPolarHBondContact OG1-CG1 3.09Å; T404-I407 PolarHBondContact OG1-N 3.43Å; T404-Q408 WeakPolarHBondContact O-CG 3.48Å; T404-Q408 PolarHBondContact O-N 3.45Å
405	A	98.3	Very high	98.5	Very high	5 Å²	5	49.8 Å²	49.8	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-51.2	-34.2	175.4	0	0	0	0	0	113.2	Q399 R409	Q399-A405 HydrophobicContact CB-CB 4.38Å; Q399-A405 PolarHBondContact O-N 3.46Å; A405-R409 WeakPolarHBondContact O-CD 3.46Å; A405-R409 WeakPolarHBondContact O-CG 3.35Å; A405-R409 PolarHBondContact O-N 3.25Å; A405-R409 PolarHBondContact O-NH1 3Å
406	Q	98.8	Very high	98.4	Very high	131 Å²	131	53.3 Å²	53.3	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-74.7	-41.3	176.1	-63.2	72.3	25.9	0	0	111.9	T404 Q408 R409 L410	T404-Q406 PolarHBondContact O-N 3.44Å; T404-Q406 VanDerWaalsContact O-N 3.08Å; T404-Q406 PolarHBondContact OG1-N 2.7Å; T404-Q406 PolarHBondContact OG1-OE1 3.44Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 3.16Å; Q406-R409 WeakPolarHBondContact O-CB 3.36Å; Q406-R409 PolarHBondContact O-N 3.07Å; Q406-L410 PolarHBondContact O-N 2.89Å
407	I	98.5	Very high	98.4	Very high	42 Å²	42	55 Å²	55	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-38.7	176.3	-66.5	-60.3	0	0	0	111.2	T404 R409 L410 I411	T404-I407 PolarHBondContact O-N 2.78Å; T404-I407 WeakPolarHBondContact OG1-CG1 3.09Å; T404-I407 PolarHBondContact OG1-N 3.43Å; I407-R409 VanDerWaalsContact C-N 3.33Å; I407-R409 PolarHBondContact O-N 3.47Å; I407-L410 WeakPolarHBondContact O-CB 3.35Å; I407-L410 PolarHBondContact O-N 3.45Å; I407-I411 HydrophobicContact CG2-CD1 3.94Å; I407-I411 HydrophobicContact CG2-CG1 4.48Å; I407-I411 WeakPolarHBondContact O-CG1 3.44Å; I407-I411 PolarHBondContact O-N 3.43Å
408	Q	98.8	Very high	98.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-44	173.3	-59	-51.3	-32.6	0	0	111.5	S356 K359 A360 E402 G403 T404 Q406 L410 I411 I412	S356-Q408 VanDerWaalsContact CA-OE1 3.28Å; S356-Q408 VanDerWaalsContact CB-OE1 3.23Å; S356-Q408 PolarHBondContact OG-OE1 3.3Å; K359-Q408 HydrophobicContact CD-CG 3.82Å; A360-Q408 HydrophobicContact CB-CB 3.73Å; A360-Q408 HydrophobicContact CB-CG 4.25Å; E402-Q408 PolarHBondContact O-NE2 3.24Å; G403-Q408 PolarHBondContact O-NE2 3.04Å; T404-Q408 WeakPolarHBondContact O-CG 3.48Å; T404-Q408 PolarHBondContact O-N 3.45Å; Q406-Q408 VanDerWaalsContact C-N 3.32Å; Q406-Q408 PolarHBondContact O-N 3.16Å; Q408-L410 VanDerWaalsContact C-N 3.31Å; Q408-L410 PolarHBondContact O-N 2.9Å; Q408-I411 PolarHBondContact O-N 2.77Å; Q408-I411 VanDerWaalsContact O-N 3.13Å; Q408-I412 WeakPolarHBondContact O-CD1 3.17Å; Q408-I412 WeakPolarHBondContact O-CG1 3.47Å; Q408-I412 PolarHBondContact O-N 3.28Å
409	R	98.7	Very high	98.1	Very high	124 Å²	124	61.1 Å²	61.1	47%	0.468	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-37.4	175.9	-73.2	164.2	172.4	74.5	-1.2	112.6	D364 A405 Q406 I407 S413	D364-R409 IonicContact OD2-CZ 2.82Å; D364-R409 IonicContact OD2-NH1 2.92Å; D364-R409 PolarHBondContact OD2-NH1 3.35Å; D364-R409 IonicContact OD2-NH2 3.16Å; D364-R409 PolarHBondContact OD2-NH2 3.04Å; A405-R409 WeakPolarHBondContact O-CD 3.46Å; A405-R409 WeakPolarHBondContact O-CG 3.35Å; A405-R409 PolarHBondContact O-N 3.25Å; A405-R409 PolarHBondContact O-NH1 3Å; Q406-R409 WeakPolarHBondContact O-CB 3.36Å; Q406-R409 PolarHBondContact O-N 3.07Å; I407-R409 VanDerWaalsContact C-N 3.33Å; I407-R409 PolarHBondContact O-N 3.47Å; R409-S413 WeakPolarHBondContact O-CB 3.23Å; R409-S413 PolarHBondContact O-N 3.01Å; R409-S413 PolarHBondContact O-OG 3.4Å
410	L	98.6	Very high	97.9	Very high	94 Å²	94	66.6 Å²	66.6	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-42	172.9	-176.6	152.2	0	0	0	111.8	Q406 I407 Q408 S413 R414	Q406-L410 PolarHBondContact O-N 2.89Å; I407-L410 WeakPolarHBondContact O-CB 3.35Å; I407-L410 PolarHBondContact O-N 3.45Å; Q408-L410 VanDerWaalsContact C-N 3.31Å; Q408-L410 PolarHBondContact O-N 2.9Å; L410-S413 PolarHBondContact O-OG 3.42Å; L410-R414 WeakPolarHBondContact O-CB 3.28Å; L410-R414 PolarHBondContact O-N 2.82Å
411	I	98.3	Very high	97.4	Very high	12 Å²	12	70.3 Å²	70.3	6%	0.062	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-46.8	177.5	-64.2	163.6	0	0	0	110.2	T352 S356 I407 Q408 S413 R414 E415	T352-I411 HydrophobicContact CG2-CG2 3.54Å; S356-I411 WeakPolarHBondContact OG-CG2 3.3Å; I407-I411 HydrophobicContact CG2-CD1 3.94Å; I407-I411 HydrophobicContact CG2-CG1 4.48Å; I407-I411 WeakPolarHBondContact O-CG1 3.44Å; I407-I411 PolarHBondContact O-N 3.43Å; Q408-I411 PolarHBondContact O-N 2.77Å; Q408-I411 VanDerWaalsContact O-N 3.13Å; I411-S413 PolarHBondContact O-N 2.82Å; I411-R414 PolarHBondContact O-N 2.8Å; I411-E415 HydrophobicContact CG2-CG 4.15Å; I411-E415 WeakPolarHBondContact O-CB 3.15Å; I411-E415 VanDerWaalsContact O-CG 3.3Å; I411-E415 WeakPolarHBondContact O-CG 3.46Å; I411-E415 PolarHBondContact O-N 2.8Å
412	I	98.8	Very high	95.4	Very high	35 Å²	35	81.2 Å²	81.2	18%	0.179	38%	0.383	C	S	.	.	H	α-helix	trans	-58.1	-48.4	178.3	-66	162.8	0	0	0	110.3	Y353 I357 A360 Q408 R414 E415 H416	Y353-I412 HydrophobicContact CD2-CG2 4.47Å; Y353-I412 HydrophobicContact CE2-CG2 3.95Å; I357-I412 HydrophobicContact CG1-CD1 3.86Å; I357-I412 HydrophobicContact CG1-CG1 3.94Å; I357-I412 HydrophobicContact CG1-CG2 4.34Å; A360-I412 HydrophobicContact CB-CD1 4.26Å; Q408-I412 WeakPolarHBondContact O-CD1 3.17Å; Q408-I412 WeakPolarHBondContact O-CG1 3.47Å; Q408-I412 PolarHBondContact O-N 3.28Å; I412-R414 PolarHBondContact O-N 3.17Å; I412-E415 PolarHBondContact O-N 3.08Å; I412-H416 WeakPolarHBondContact O-CB 3.39Å; I412-H416 PolarHBondContact O-N 2.96Å
413	S	98.6	Very high	95.4	Very high	46 Å²	46	83.9 Å²	83.9	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-42.4	-179.6	67.7	0	0	0	0	111.8	R409 L410 I411 H416 F417	R409-S413 WeakPolarHBondContact O-CB 3.23Å; R409-S413 PolarHBondContact O-N 3.01Å; R409-S413 PolarHBondContact O-OG 3.4Å; L410-S413 PolarHBondContact O-OG 3.42Å; I411-S413 PolarHBondContact O-N 2.82Å; S413-H416 PolarHBondContact O-N 3.48Å; S413-F417 WeakPolarHBondContact O-CB 3.33Å; S413-F417 VanDerWaalsContact O-CD2 3.23Å; S413-F417 WeakPolarHBondContact O-CD2 3.49Å; S413-F417 WeakPolarHBondContact O-CG 3.46Å; S413-F417 PolarHBondContact O-N 3.48Å
414	R	98	Very high	95.3	Very high	137 Å²	137	87.3 Å²	87.3	52%	0.517	41%	0.405	S	S	.	.	H	α-helix	trans	-61.3	-49.8	176.1	-175.8	-178.7	67.8	-157.3	-1.5	112.2	L410 I411 I412 H416 G418	L410-R414 WeakPolarHBondContact O-CB 3.28Å; L410-R414 PolarHBondContact O-N 2.82Å; I411-R414 PolarHBondContact O-N 2.8Å; I412-R414 PolarHBondContact O-N 3.17Å; R414-H416 VanDerWaalsContact C-N 3.33Å; R414-G418 PolarHBondContact O-N 3.08Å
415	E	98.2	Very high	95.1	Very high	36 Å²	36	90.7 Å²	90.7	17%	0.168	42%	0.419	C	S	.	.	H	α-helix	trans	-65.3	-37.9	178.9	-67.4	-65.4	131.5	0	0	111.3	R350 T352 Y353 I411 I412 G418 R419	R350-E415 IonicContact CZ-OE1 3.51Å; R350-E415 IonicContact CZ-OE2 3.52Å; R350-E415 IonicContact NH1-OE1 3.28Å; R350-E415 PolarHBondContact NH1-OE1 2.85Å; R350-E415 IonicContact NH1-OE2 2.77Å; R350-E415 PolarHBondContact NH1-OE2 3.48Å; R350-E415 IonicContact NH2-OE1 2.8Å; R350-E415 PolarHBondContact NH2-OE1 2.99Å; R350-E415 IonicContact NH2-OE2 3.52Å; T352-E415 HydrophobicContact CG2-CG 4.19Å; Y353-E415 HydrophobicContact CD2-CB 3.79Å; Y353-E415 HydrophobicContact CG-CB 4.42Å; I411-E415 HydrophobicContact CG2-CG 4.15Å; I411-E415 WeakPolarHBondContact O-CB 3.15Å; I411-E415 VanDerWaalsContact O-CG 3.3Å; I411-E415 WeakPolarHBondContact O-CG 3.46Å; I411-E415 PolarHBondContact O-N 2.8Å; I412-E415 PolarHBondContact O-N 3.08Å; E415-G418 PolarHBondContact O-N 3.09Å; E415-R419 WeakPolarHBondContact O-CG 3.4Å; E415-R419 PolarHBondContact O-N 3.14Å
416	H	98.1	Very high	94.9	Very high	74 Å²	74	95.7 Å²	95.7	34%	0.343	44%	0.441	S	S	.	.	H	α-helix	trans	-63.6	-53.7	176.1	-177.1	78.5	0	0	0	111.2	Y353 I412 S413 R414 G418 R419 F420	Y353-H416 HydrophobicContact CE2-CB 4.16Å; I412-H416 WeakPolarHBondContact O-CB 3.39Å; I412-H416 PolarHBondContact O-N 2.96Å; S413-H416 PolarHBondContact O-N 3.48Å; R414-H416 VanDerWaalsContact C-N 3.33Å; H416-G418 VanDerWaalsContact C-N 3.25Å; H416-G418 PolarHBondContact O-N 2.82Å; H416-R419 WeakPolarHBondContact O-CB 3.35Å; H416-R419 PolarHBondContact O-N 3.31Å; H416-R419 VanDerWaalsContact O-N 3.08Å; H416-F420 AromaticContact CE1-CE2 3.62Å; H416-F420 AromaticContact NE2-CE2 3.76Å; H416-F420 VanDerWaalsContact O-CD2 3.28Å; H416-F420 WeakPolarHBondContact O-CD2 3.33Å
417	F	98.1	Very high	94.7	Very high	121 Å²	121	93.5 Å²	93.5	53%	0.531	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-35.1	178.2	-60.9	-26.4	0	0	0	112.3	S413 R419 F420 K421	S413-F417 WeakPolarHBondContact O-CB 3.33Å; S413-F417 VanDerWaalsContact O-CD2 3.23Å; S413-F417 WeakPolarHBondContact O-CD2 3.49Å; S413-F417 WeakPolarHBondContact O-CG 3.46Å; S413-F417 PolarHBondContact O-N 3.48Å; F417-R419 PolarHBondContact O-N 3.05Å; F417-F420 PolarHBondContact O-N 3.18Å; F417-K421 WeakPolarHBondContact O-CG 3.3Å; F417-K421 PolarHBondContact O-N 3.06Å
418	G	96.9	Very high	94.4	Very high	49 Å²	49	96.9 Å²	96.9	51%	0.505	45%	0.445	S	S	.	.	H	α-helix	trans	-58.9	-23.8	175.8	0	0	0	0	0	114.2	R414 E415 H416 F420	R414-G418 PolarHBondContact O-N 3.08Å; E415-G418 PolarHBondContact O-N 3.09Å; H416-G418 VanDerWaalsContact C-N 3.25Å; H416-G418 PolarHBondContact O-N 2.82Å; G418-F420 VanDerWaalsContact C-N 3.34Å
419	R	94.6	Very high	94.1	Very high	130 Å²	130	103.9 Å²	103.9	49%	0.491	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-18.9	176.5	-64.8	170	-178.9	-165.2	-3.7	113.9	E415 H416 F417	E415-R419 WeakPolarHBondContact O-CG 3.4Å; E415-R419 PolarHBondContact O-N 3.14Å; H416-R419 WeakPolarHBondContact O-CB 3.35Å; H416-R419 PolarHBondContact O-N 3.31Å; H416-R419 VanDerWaalsContact O-N 3.08Å; F417-R419 PolarHBondContact O-N 3.05Å
420	F	95.3	Very high	93.8	Very high	153 Å²	153	102.3 Å²	102.3	67%	0.671	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-15.2	-174.3	-62.8	-82.3	0	0	0	113.4	H416 F417 G418 K422	H416-F420 AromaticContact CE1-CE2 3.62Å; H416-F420 AromaticContact NE2-CE2 3.76Å; H416-F420 VanDerWaalsContact O-CD2 3.28Å; H416-F420 WeakPolarHBondContact O-CD2 3.33Å; F417-F420 PolarHBondContact O-N 3.18Å; G418-F420 VanDerWaalsContact C-N 3.34Å; F420-K422 PolarHBondContact O-N 3.3Å
421	K	88.4	Confident	93.4	Very high	162 Å²	162	103 Å²	103	70%	0.704	48%	0.476	S	S	*	.			trans	-69.4	118.6	170.2	-73.9	-176.9	178.5	-173.2	0	108.5	F417	F417-K421 WeakPolarHBondContact O-CG 3.3Å; F417-K421 PolarHBondContact O-N 3.06Å
422	K	57.2	Low	92.9	Very high	281 Å²	281	111.3 Å²	111.3	100%	1.222	51%	0.514	S	S	*	.			trans	-69.4	0	173.6	-72.1	-173.3	178.3	-178.2	0	111.5	F420	F420-K422 PolarHBondContact O-N 3.3Å

Retrieved 422 of 422 residues in 628.7 ms (Link to these results)

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