A0A060WAX7_ONCMY Loading...

Mitochondrial inner membrane protease ATP23

AlphaFold DB , UniProt , Accession A0A060WAX7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 234 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	34.1	Very low	43.1	Very low	252 Å²	252	147.2 Å²	147.2	100%	1.241	72%	0.718	S	S	*	*				0	101.8	0	-64.1	176	175.9	0	0	105.1
2	D	32.3	Very low	45.6	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	66%	0.659	S	S	*	*			cis	-158.2	120.2	19	-172.7	14.6	0	0	0	105.3
3	Q	32.2	Very low	48.2	Very low	179 Å²	179	129.6 Å²	129.6	84%	0.836	63%	0.628	S	S	*	*			trans	-95.5	101.5	170.7	-79.7	179.5	-15.9	0	0	104.8	E5	Q3-E5 PolarHBondContact O-N 3.02Å
4	T	33.6	Very low	50.5	Low	124 Å²	124	127.1 Å²	127.1	76%	0.761	62%	0.619	S	S	*	*			trans	-62.9	91	164.6	35.6	0	0	0	0	108.1	Q6	T4-Q6 VanDerWaalsContact C-N 3.31Å; T4-Q6 PolarHBondContact O-N 3.27Å
5	E	32.9	Very low	52.5	Low	171 Å²	171	119.9 Å²	119.9	80%	0.799	58%	0.584	S	S	*	*			trans	-57.7	99.9	154.8	-72.8	180	161.4	0	0	106.5	Q3 Q7	Q3-E5 PolarHBondContact O-N 3.02Å; E5-Q7 VanDerWaalsContact C-N 3.31Å; E5-Q7 PolarHBondContact O-N 3.17Å
6	Q	34.5	Very low	54.5	Low	180 Å²	180	113.8 Å²	113.8	84%	0.841	55%	0.554	S	S	*	*			trans	-61.4	105.2	155.7	-79.3	176.8	-35.4	0	0	105.3	T4 E8	T4-Q6 VanDerWaalsContact C-N 3.31Å; T4-Q6 PolarHBondContact O-N 3.27Å; Q6-E8 VanDerWaalsContact C-N 3.28Å; Q6-E8 PolarHBondContact O-N 3.31Å
7	Q	35.3	Very low	55.8	Low	169 Å²	169	111.1 Å²	111.1	79%	0.79	55%	0.547	S	S	*	.			trans	-56	101.1	161.9	-76	178.2	-15.4	0	0	106	E5 E9	E5-Q7 VanDerWaalsContact C-N 3.31Å; E5-Q7 PolarHBondContact O-N 3.17Å; Q7-E9 VanDerWaalsContact C-N 3.27Å; Q7-E9 PolarHBondContact O-N 3.07Å
8	E	43.1	Very low	57.2	Low	178 Å²	178	110.2 Å²	110.2	83%	0.832	54%	0.542	S	S	*	.			trans	-60.3	99.5	165.2	-79.4	-176	157.8	0	0	106.3	Q6 D10	Q6-E8 VanDerWaalsContact C-N 3.28Å; Q6-E8 PolarHBondContact O-N 3.31Å; E8-D10 PolarHBondContact O-N 3.01Å; E8-D10 VanDerWaalsContact O-N 3.08Å
9	E	53.4	Low	58.1	Low	117 Å²	117	107.8 Å²	107.8	55%	0.547	53%	0.526	S	S	.	.			trans	-59.6	113.1	173.9	-67.8	-174.2	-165	0	0	107.8	Q7 Y11	Q7-E9 VanDerWaalsContact C-N 3.27Å; Q7-E9 PolarHBondContact O-N 3.07Å; E9-Y11 HydrophobicContact CB-CE1 3.89Å; E9-Y11 HydrophobicContact CB-CE2 3.97Å; E9-Y11 WeakPolarHBondContact O-CD2 3.41Å; E9-Y11 PolarHBondContact O-N 3.16Å; E9-Y11 VanDerWaalsContact O-N 3.13Å; E9-Y11 VanDerWaalsContact OE2-CZ 3.27Å; E9-Y11 PolarHBondContact OE2-OH 3.18Å
10	D	66.8	Low	58.3	Low	47 Å²	47	107.4 Å²	107.4	25%	0.251	53%	0.526	S	S	.	.			trans	-80.9	98.3	-174.3	-173.6	-0.1	0	0	0	109.2	E8 G12 N14 K183	E8-D10 PolarHBondContact O-N 3.01Å; E8-D10 VanDerWaalsContact O-N 3.08Å; D10-G12 VanDerWaalsContact C-N 3.3Å; D10-G12 PolarHBondContact OD1-N 3.24Å; D10-G12 VanDerWaalsContact OD1-N 3.1Å; D10-N14 PolarHBondContact OD1-OD1 3.07Å; D10-K183 HydrophobicContact CB-CD 3.82Å; D10-K183 HydrophobicContact CB-CG 4.1Å; D10-K183 WeakPolarHBondContact OD2-CE 3.37Å; D10-K183 IonicContact OD2-NZ 3.66Å
11	Y	75.6	Confident	58	Low	60 Å²	60	105.7 Å²	105.7	24%	0.235	53%	0.525	C	S	.	.			trans	-91	14.1	178.1	-55.8	-56.1	0	0	0	113.7	E9 Y13 F129 V181 R182	E9-Y11 HydrophobicContact CB-CE1 3.89Å; E9-Y11 HydrophobicContact CB-CE2 3.97Å; E9-Y11 WeakPolarHBondContact O-CD2 3.41Å; E9-Y11 PolarHBondContact O-N 3.16Å; E9-Y11 VanDerWaalsContact O-N 3.13Å; E9-Y11 VanDerWaalsContact OE2-CZ 3.27Å; E9-Y11 PolarHBondContact OE2-OH 3.18Å; Y11-Y13 VanDerWaalsContact C-N 3.33Å; Y11-Y13 HydrophobicContact CD2-CD2 4.41Å; Y11-Y13 HydrophobicContact CD2-CE2 4.01Å; Y11-Y13 HydrophobicContact CG-CE2 4.4Å; Y11-F129 AromaticContact CD1-CD1 3.67Å; Y11-F129 HydrophobicContact CD1-CD1 3.67Å; Y11-F129 HydrophobicContact CD1-CE1 4.38Å; Y11-F129 AromaticContact CD2-CD1 3.67Å; Y11-F129 HydrophobicContact CD2-CD1 3.67Å; Y11-F129 AromaticContact CD2-CE1 3.87Å; Y11-F129 HydrophobicContact CD2-CE1 3.87Å; Y11-F129 HydrophobicContact CE1-CB 3.99Å; Y11-F129 AromaticContact CE1-CD1 3.67Å; Y11-F129 HydrophobicContact CE1-CD1 3.67Å; Y11-F129 HydrophobicContact CE1-CG 4.32Å; Y11-F129 AromaticContact CE2-CD1 3.64Å; Y11-F129 HydrophobicContact CE2-CD1 3.64Å; Y11-F129 HydrophobicContact CE2-CE1 4.19Å; Y11-F129 HydrophobicContact CE2-CG 4.45Å; Y11-F129 AromaticContact CG-CD1 3.65Å; Y11-F129 HydrophobicContact CG-CD1 3.65Å; Y11-F129 AromaticContact CG-CE1 3.93Å; Y11-F129 HydrophobicContact CG-CE1 3.93Å; Y11-F129 AromaticContact CZ-CD1 3.63Å; Y11-V181 CarbonylContact C-O 3.37Å; Y11-V181 VanDerWaalsContact C-O 3.24Å; Y11-V181 WeakPolarHBondContact CA-O 3.18Å; Y11-R182 VanDerWaalsContact CA-NH1 3.27Å; Y11-R182 PolarHBondContact O-NH1 3.45Å
12	G	73.8	Confident	58.6	Low	2 Å²	2	97.7 Å²	97.7	2%	0.021	51%	0.507	C	S	.	.	S	Bend	trans	81.4	8	-179.1	0	0	0	0	0	114.3	D10 N14 L15 V181	D10-G12 VanDerWaalsContact C-N 3.3Å; D10-G12 PolarHBondContact OD1-N 3.24Å; D10-G12 VanDerWaalsContact OD1-N 3.1Å; G12-N14 VanDerWaalsContact CA-OD1 3.28Å; G12-N14 WeakPolarHBondContact CA-OD1 3.45Å; G12-N14 PolarHBondContact O-N 3.23Å; G12-N14 PolarHBondContact O-OD1 3.22Å; G12-L15 VanDerWaalsContact O-CB 3.24Å; G12-L15 WeakPolarHBondContact O-CB 3.44Å; G12-L15 WeakPolarHBondContact O-CG 3.47Å; G12-L15 PolarHBondContact O-N 3.24Å; G12-V181 PolarHBondContact N-O 2.84Å
13	Y	79.5	Confident	58.9	Low	64 Å²	64	99.3 Å²	99.3	25%	0.251	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-63.1	-22.1	177.2	-72.4	-66.4	0	0	0	112.9	Y11 L15 F16 N20 D88 T90 F129	Y11-Y13 VanDerWaalsContact C-N 3.33Å; Y11-Y13 HydrophobicContact CD2-CD2 4.41Å; Y11-Y13 HydrophobicContact CD2-CE2 4.01Å; Y11-Y13 HydrophobicContact CG-CE2 4.4Å; Y13-L15 PolarHBondContact O-N 3.1Å; Y13-F16 CarbonylContact O-C 3.58Å; Y13-F16 PolarHBondContact O-N 3.35Å; Y13-F16 VanDerWaalsContact O-N 3.12Å; Y13-N20 PolarHBondContact O-ND2 3.16Å; Y13-D88 PolarHBondContact OH-OD1 3.49Å; Y13-D88 VanDerWaalsContact OH-OD1 3.12Å; Y13-T90 PolarHBondContact OH-OG1 3.34Å; Y13-F129 HydrophobicContact CE2-CE1 4.35Å
14	N	80.4	Confident	59.3	Low	95 Å²	95	100.7 Å²	100.7	51%	0.508	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-60.6	-23.2	170.8	60	-25.4	0	0	0	113.4	D10 G12 F16	D10-N14 PolarHBondContact OD1-OD1 3.07Å; G12-N14 VanDerWaalsContact CA-OD1 3.28Å; G12-N14 WeakPolarHBondContact CA-OD1 3.45Å; G12-N14 PolarHBondContact O-N 3.23Å; G12-N14 PolarHBondContact O-OD1 3.22Å; N14-F16 PolarHBondContact O-N 2.92Å
15	L	80.6	Confident	59.3	Low	18 Å²	18	103.4 Å²	103.4	9%	0.094	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-72.7	-14.1	176	-57.4	167.4	0	0	0	112.8	G12 Y13 P17 C79 D80 V83 V181	G12-L15 VanDerWaalsContact O-CB 3.24Å; G12-L15 WeakPolarHBondContact O-CB 3.44Å; G12-L15 WeakPolarHBondContact O-CG 3.47Å; G12-L15 PolarHBondContact O-N 3.24Å; Y13-L15 PolarHBondContact O-N 3.1Å; L15-P17 WeakPolarHBondContact O-CD 3.34Å; L15-C79 WeakPolarHBondContact O-CB 3.41Å; L15-D80 HydrophobicContact CB-CB 4.48Å; L15-D80 HydrophobicContact CD2-CB 3.99Å; L15-D80 PolarHBondContact O-N 2.92Å; L15-V83 HydrophobicContact CB-CG1 4.49Å; L15-V83 HydrophobicContact CB-CG2 4.06Å; L15-V83 HydrophobicContact CD1-CG1 3.84Å; L15-V181 HydrophobicContact CD1-CG1 4.28Å
16	F	83.2	Confident	59.6	Low	22 Å²	22	104 Å²	104	10%	0.096	52%	0.515	C	S	.	.			trans	-122.9	72.6	-177.4	-55.4	-80.6	0	0	0	110.4	Y13 N14 E18 R19 C79 V83 V95	Y13-F16 CarbonylContact O-C 3.58Å; Y13-F16 PolarHBondContact O-N 3.35Å; Y13-F16 VanDerWaalsContact O-N 3.12Å; N14-F16 PolarHBondContact O-N 2.92Å; F16-E18 PolarHBondContact O-N 2.59Å; F16-R19 HydrophobicContact CB-CG 3.99Å; F16-R19 WeakPolarHBondContact O-CB 3.33Å; F16-R19 PolarHBondContact O-N 3.31Å; F16-C79 HydrophobicContact CD1-CB 4.41Å; F16-C79 VanDerWaalsContact CD1-SG 3.58Å; F16-V83 HydrophobicContact CE1-CG2 4.39Å; F16-V83 HydrophobicContact CZ-CG2 4.34Å; F16-V95 HydrophobicContact CD1-CB 4.05Å; F16-V95 HydrophobicContact CD1-CG1 3.65Å; F16-V95 HydrophobicContact CD1-CG2 4.45Å; F16-V95 HydrophobicContact CE1-CB 3.97Å; F16-V95 HydrophobicContact CE1-CG1 3.89Å
17	P	77.9	Confident	59.7	Low	68 Å²	68	98.1 Å²	98.1	44%	0.442	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-26.3	-170.3	24.5	-34.3	0	0	0	114.2	L15 R19 N20 S21	L15-P17 WeakPolarHBondContact O-CD 3.34Å; P17-R19 PolarHBondContact O-N 2.93Å; P17-N20 PolarHBondContact O-N 3.41Å; P17-S21 PolarHBondContact O-OG 2.98Å
18	E	80.3	Confident	59.9	Low	96 Å²	96	96.3 Å²	96.3	45%	0.449	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-20.8	174.7	-67.6	-169.4	-155.4	0	0	112.9	F16 S21 E77 D78	F16-E18 PolarHBondContact O-N 2.59Å; E18-S21 PolarHBondContact O-OG 3.3Å; E18-E77 HydrophobicContact CB-CB 4.47Å; E18-E77 HydrophobicContact CB-CG 4.44Å; E18-E77 HydrophobicContact CG-CB 4.49Å; E18-D78 PolarHBondContact OE1-N 3.01Å
19	R	74.3	Confident	60.2	Low	64 Å²	64	92.6 Å²	92.6	24%	0.242	49%	0.494	C	S	.	.	H	α-helix	trans	-85.7	-26.5	179.9	-56	-169.7	72.4	142.1	7.1	114.1	F16 P17 E77 D88 S91	F16-R19 HydrophobicContact CB-CG 3.99Å; F16-R19 WeakPolarHBondContact O-CB 3.33Å; F16-R19 PolarHBondContact O-N 3.31Å; P17-R19 PolarHBondContact O-N 2.93Å; R19-E77 WeakPolarHBondContact CG-OE2 3.41Å; R19-D88 IonicContact CZ-OD2 2.56Å; R19-D88 IonicContact NE-OD2 3.04Å; R19-D88 IonicContact NH1-OD2 3.88Å; R19-D88 IonicContact NH2-OD2 3.68Å; R19-D88 PolarHBondContact NH2-OD2 3.44Å; R19-S91 PolarHBondContact NH2-OG 2.86Å
20	N	61.3	Low	59.8	Low	99 Å²	99	90 Å²	90	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-88.7	-14.6	-177.6	-62.9	-35.9	0	0	0	113	Y13 P17 G22	Y13-N20 PolarHBondContact O-ND2 3.16Å; P17-N20 PolarHBondContact O-N 3.41Å; N20-G22 PolarHBondContact O-N 3.43Å
21	S	52.9	Low	58.5	Low	73 Å²	73	96.2 Å²	96.2	51%	0.51	52%	0.52	S	S	.	.			trans	-89.5	85.4	-173.9	37.4	0	0	0	0	111.4	P17 E18 K23	P17-S21 PolarHBondContact O-OG 2.98Å; E18-S21 PolarHBondContact O-OG 3.3Å; S21-K23 PolarHBondContact O-N 3.32Å
22	G	47.3	Very low	57.1	Low	83 Å²	83	97.1 Å²	97.1	86%	0.856	54%	0.535	S	S	*	.			trans	-63	20.2	166.6	0	0	0	0	0	115.7	N20	N20-G22 PolarHBondContact O-N 3.43Å
23	K	37.8	Very low	55.8	Low	177 Å²	177	102.6 Å²	102.6	77%	0.77	56%	0.563	S	S	*	*	S	Bend	trans	-144.4	103.1	177.5	-73.8	-175.4	-179.5	172.3	0	110.6	S21 Q25	S21-K23 PolarHBondContact O-N 3.32Å; K23-Q25 PolarHBondContact O-N 2.75Å
24	F	40.3	Very low	54.3	Low	208 Å²	208	106.3 Å²	106.3	91%	0.912	58%	0.581	S	S	*	*			trans	-49.6	105.5	156.5	-100.7	-97.5	0	0	0	109.6
25	Q	33.7	Very low	53.1	Low	181 Å²	181	105.9 Å²	105.9	85%	0.846	58%	0.582	S	S	*	*			trans	-88.8	99.9	156.3	-74	-118.6	-10.9	0	0	106.9	K23 G27	K23-Q25 PolarHBondContact O-N 2.75Å; Q25-G27 PolarHBondContact O-N 2.78Å
26	K	40.3	Very low	52	Low	182 Å²	182	110.1 Å²	110.1	79%	0.791	60%	0.6	S	S	*	*			trans	-59.9	97.7	164.6	-94.9	-177.7	168.2	176.6	0	108.3	I29	K26-I29 HydrophobicContact CB-CD1 4.4Å; K26-I29 HydrophobicContact CG-CD1 3.83Å
27	G	35	Very low	51.1	Low	58 Å²	58	111.8 Å²	111.8	60%	0.598	61%	0.61	S	S	*	*			trans	-133.5	117.7	170.7	0	0	0	0	0	110.6	Q25	Q25-G27 PolarHBondContact O-N 2.78Å
28	S	40.5	Very low	51.2	Low	131 Å²	131	114.5 Å²	114.5	92%	0.916	62%	0.616	S	S	*	*	S	Bend	trans	41.1	74.4	174.1	-154.1	0	0	0	0	117.1
29	I	49.5	Very low	51.8	Low	99 Å²	99	114.2 Å²	114.2	51%	0.508	61%	0.614	S	S	.	*			trans	-96	114.8	-179.3	-60.6	162.6	0	0	0	108.4	K26	K26-I29 HydrophobicContact CB-CD1 4.4Å; K26-I29 HydrophobicContact CG-CD1 3.83Å
30	A	44.9	Very low	52.8	Low	63 Å²	63	111.4 Å²	111.4	52%	0.521	60%	0.604	S	S	.	*	S	Bend	trans	179.9	-32.1	143.7	0	0	0	0	0	115.4	F34	A30-F34 WeakPolarHBondContact O-CD2 3.46Å
31	E	39.4	Very low	54.4	Low	177 Å²	177	109 Å²	109	83%	0.827	59%	0.589	S	S	*	*	S	Bend	trans	-105.1	-31.8	-166.9	-102.3	172.6	158.9	0	0	115.6	T35	E31-T35 PolarHBondContact O-OG1 2.9Å
32	S	46.7	Very low	56.4	Low	80 Å²	80	109.2 Å²	109.2	56%	0.559	59%	0.587	S	S	*	*	S	Bend	trans	-89.6	-38.1	-179.1	-172.3	0	0	0	0	113.4	F34 T35	S32-F34 VanDerWaalsContact C-N 3.31Å; S32-F34 PolarHBondContact O-N 3.2Å; S32-T35 PolarHBondContact O-OG1 3.29Å
33	L	46.4	Very low	58.8	Low	116 Å²	116	105.9 Å²	105.9	61%	0.607	55%	0.55	S	S	*	.	H	α-helix	trans	-65.6	-30.5	-177.5	-112.4	115.2	0	0	0	113.4	N37	L33-N37 WeakPolarHBondContact O-CB 3.37Å
34	F	46.5	Very low	61.6	Low	143 Å²	143	97.5 Å²	97.5	63%	0.627	51%	0.513	S	S	*	.	H	α-helix	trans	-84.2	-26.3	-175.9	-75.4	-87.3	0	0	0	113.5	A30 S32 H38	A30-F34 WeakPolarHBondContact O-CD2 3.46Å; S32-F34 VanDerWaalsContact C-N 3.31Å; S32-F34 PolarHBondContact O-N 3.2Å; F34-H38 WeakPolarHBondContact O-CB 3.42Å; F34-H38 PolarHBondContact O-N 2.9Å
35	T	55.7	Low	64.3	Low	86 Å²	86	90.6 Å²	90.6	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-88.3	-43.9	-174.2	44.7	0	0	0	0	112.9	E31 S32 K39	E31-T35 PolarHBondContact O-OG1 2.9Å; S32-T35 PolarHBondContact O-OG1 3.29Å; T35-K39 PolarHBondContact O-N 2.9Å
36	F	57.8	Low	67.3	Low	107 Å²	107	86.8 Å²	86.8	47%	0.469	47%	0.465	S	S	.	.	H	α-helix	trans	-73.9	-42.6	178.4	-74.3	-80.9	0	0	0	112.7	H38 K39 C40	F36-H38 VanDerWaalsContact C-N 3.32Å; F36-H38 PolarHBondContact O-N 3.47Å; F36-K39 WeakPolarHBondContact O-CB 3.45Å; F36-K39 PolarHBondContact O-N 3.4Å; F36-K39 VanDerWaalsContact O-N 3.13Å; F36-C40 PolarHBondContact O-N 2.97Å
37	N	64.6	Low	70.1	Confident	57 Å²	57	78.1 Å²	78.1	31%	0.305	43%	0.427	S	S	.	.	H	α-helix	trans	-62.1	-43.4	175.1	-165.8	-69.8	0	0	0	110.4	L33 K39 C40 Q41 C76	L33-N37 WeakPolarHBondContact O-CB 3.37Å; N37-K39 VanDerWaalsContact C-N 3.33Å; N37-K39 PolarHBondContact O-N 2.61Å; N37-C40 PolarHBondContact O-N 3.41Å; N37-Q41 WeakPolarHBondContact O-CB 3.47Å; N37-Q41 WeakPolarHBondContact O-CG 3.25Å; N37-Q41 PolarHBondContact O-N 3.14Å; N37-Q41 WeakPolarHBondContact OD1-CG 3.47Å; N37-C76 PolarHBondContact ND2-O 3.4Å
38	H	80.5	Confident	73	Confident	124 Å²	124	76.5 Å²	76.5	57%	0.574	40%	0.404	S	S	*	.	H	α-helix	trans	-59.8	-41.7	173.4	-176.7	-73.2	0	0	0	112.2	F34 F36 Q41 V42	F34-H38 WeakPolarHBondContact O-CB 3.42Å; F34-H38 PolarHBondContact O-N 2.9Å; F36-H38 VanDerWaalsContact C-N 3.32Å; F36-H38 PolarHBondContact O-N 3.47Å; H38-Q41 PolarHBondContact O-N 3.45Å; H38-V42 WeakPolarHBondContact CE1-CG2 3.22Å; H38-V42 WeakPolarHBondContact O-CB 3.41Å; H38-V42 VanDerWaalsContact O-CG2 3.24Å; H38-V42 WeakPolarHBondContact O-CG2 3.33Å; H38-V42 PolarHBondContact O-N 3.44Å
39	K	91.8	Very high	75.7	Confident	90 Å²	90	75.6 Å²	75.6	39%	0.391	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-48.9	176	-177.6	-178.3	173.7	-173.3	0	111.4	T35 F36 N37 Q41 V42 M43 H102	T35-K39 PolarHBondContact O-N 2.9Å; F36-K39 WeakPolarHBondContact O-CB 3.45Å; F36-K39 PolarHBondContact O-N 3.4Å; F36-K39 VanDerWaalsContact O-N 3.13Å; N37-K39 VanDerWaalsContact C-N 3.33Å; N37-K39 PolarHBondContact O-N 2.61Å; K39-Q41 PolarHBondContact O-N 3.16Å; K39-V42 PolarHBondContact O-N 3.28Å; K39-M43 HydrophobicContact CD-SD 4.28Å; K39-M43 VanDerWaalsContact CE-SD 3.58Å; K39-M43 HydrophobicContact CG-CG 4.41Å; K39-M43 HydrophobicContact CG-SD 3.77Å; K39-M43 WeakPolarHBondContact O-CB 3.49Å; K39-M43 VanDerWaalsContact O-CG 3.24Å; K39-M43 WeakPolarHBondContact O-CG 3.41Å; K39-M43 PolarHBondContact O-N 2.88Å; K39-H102 PolarHBondContact NZ-O 3.27Å; K39-H102 VanDerWaalsContact NZ-O 3.14Å
40	C	94.8	Very high	77.9	Confident	5 Å²	5	73.3 Å²	73.3	3%	0.034	38%	0.376	C	S	.	.	H	α-helix	trans	-58.7	-47.5	178.1	178	0	0	0	0	111.3	F36 N37 V42 M43 L44 C76 Q98 M107	F36-C40 PolarHBondContact O-N 2.97Å; N37-C40 PolarHBondContact O-N 3.41Å; C40-V42 PolarHBondContact O-N 3.02Å; C40-M43 PolarHBondContact O-N 3.31Å; C40-L44 WeakPolarHBondContact O-CB 3.44Å; C40-L44 PolarHBondContact O-N 3.39Å; C40-C76 HydrophobicContact CB-CB 3.66Å; C40-C76 WeakPolarHBondContact CB-SG 3.49Å; C40-C76 WeakPolarHBondContact SG-CB 3.46Å; C40-C76 CovalentContact SG-SG 2.03Å; C40-C76 PolarHBondContact SG-SG 3.33Å; C40-Q98 HydrophobicContact CB-CB 3.83Å; C40-M107 HydrophobicContact CB-CE 4.47Å
41	Q	95.2	Very high	80.3	Confident	49 Å²	49	70.6 Å²	70.6	23%	0.229	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-41.1	178.5	-70	-66	-19.2	0	0	112.9	N37 H38 K39 L44 Q45	N37-Q41 WeakPolarHBondContact O-CB 3.47Å; N37-Q41 WeakPolarHBondContact O-CG 3.25Å; N37-Q41 PolarHBondContact O-N 3.14Å; N37-Q41 WeakPolarHBondContact OD1-CG 3.47Å; H38-Q41 PolarHBondContact O-N 3.45Å; K39-Q41 PolarHBondContact O-N 3.16Å; Q41-L44 PolarHBondContact O-N 3.13Å; Q41-Q45 WeakPolarHBondContact O-CB 3.27Å; Q41-Q45 PolarHBondContact O-N 3.16Å
42	V	95.3	Very high	83.1	Confident	77 Å²	77	62.5 Å²	62.5	47%	0.467	32%	0.316	S	S	.	.	H	α-helix	trans	-65.3	-44.4	175.3	168.8	0	0	0	0	111.2	H38 K39 C40 L44 Q45 F46	H38-V42 WeakPolarHBondContact CE1-CG2 3.22Å; H38-V42 WeakPolarHBondContact O-CB 3.41Å; H38-V42 VanDerWaalsContact O-CG2 3.24Å; H38-V42 WeakPolarHBondContact O-CG2 3.33Å; H38-V42 PolarHBondContact O-N 3.44Å; K39-V42 PolarHBondContact O-N 3.28Å; C40-V42 PolarHBondContact O-N 3.02Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.11Å; V42-Q45 WeakPolarHBondContact O-CB 3.35Å; V42-Q45 PolarHBondContact O-N 2.86Å; V42-F46 PolarHBondContact O-N 2.98Å
43	M	97.3	Very high	85.5	Confident	14 Å²	14	59.8 Å²	59.8	7%	0.069	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-38.6	178.7	-67.8	171.8	67.2	0	0	111.8	K39 C40 F46 A47 I101 Q103 Q104 M107	K39-M43 HydrophobicContact CD-SD 4.28Å; K39-M43 VanDerWaalsContact CE-SD 3.58Å; K39-M43 HydrophobicContact CG-CG 4.41Å; K39-M43 HydrophobicContact CG-SD 3.77Å; K39-M43 WeakPolarHBondContact O-CB 3.49Å; K39-M43 VanDerWaalsContact O-CG 3.24Å; K39-M43 WeakPolarHBondContact O-CG 3.41Å; K39-M43 PolarHBondContact O-N 2.88Å; C40-M43 PolarHBondContact O-N 3.31Å; M43-F46 PolarHBondContact O-N 3.29Å; M43-A47 WeakPolarHBondContact O-CB 3.18Å; M43-A47 PolarHBondContact O-N 3.48Å; M43-I101 HydrophobicContact CE-CG2 4.06Å; M43-Q103 VanDerWaalsContact CE-O 3.24Å; M43-Q103 WeakPolarHBondContact CE-O 3.41Å; M43-Q104 VanDerWaalsContact CA-OE1 3.24Å; M43-Q104 PolarHBondContact O-NE2 2.94Å; M43-Q104 PolarHBondContact O-OE1 3.42Å; M43-M107 HydrophobicContact CB-CB 4.27Å; M43-M107 HydrophobicContact CB-CE 3.92Å; M43-M107 HydrophobicContact CB-CG 3.92Å; M43-M107 HydrophobicContact CE-CB 3.84Å
44	L	97.6	Very high	88	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-48.6	173	171.1	59.1	0	0	0	111.1	C40 Q41 V42 F46 A47 M48 K70 F74 L96 V111	C40-L44 WeakPolarHBondContact O-CB 3.44Å; C40-L44 PolarHBondContact O-N 3.39Å; Q41-L44 PolarHBondContact O-N 3.13Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.11Å; L44-F46 VanDerWaalsContact C-N 3.29Å; L44-F46 PolarHBondContact O-N 3Å; L44-A47 WeakPolarHBondContact O-CB 3.39Å; L44-A47 PolarHBondContact O-N 3.25Å; L44-A47 VanDerWaalsContact O-N 3.1Å; L44-M48 HydrophobicContact CD1-CG 3.85Å; L44-M48 HydrophobicContact CD1-SD 3.74Å; L44-M48 HydrophobicContact CG-CG 4.49Å; L44-M48 HydrophobicContact CG-SD 4Å; L44-M48 WeakPolarHBondContact O-CG 3.28Å; L44-M48 PolarHBondContact O-N 2.83Å; L44-K70 HydrophobicContact CD2-CD 4.22Å; L44-K70 HydrophobicContact CD2-CG 3.79Å; L44-K70 HydrophobicContact CG-CD 4.33Å; L44-K70 HydrophobicContact CG-CG 4.21Å; L44-F74 HydrophobicContact CD1-CD1 3.69Å; L44-F74 HydrophobicContact CD1-CE1 3.82Å; L44-F74 HydrophobicContact CD1-CG 4.08Å; L44-F74 HydrophobicContact CD1-CZ 4.29Å; L44-F74 HydrophobicContact CD2-CB 3.46Å; L44-F74 VanDerWaalsContact CD2-CB 3.46Å; L44-F74 HydrophobicContact CD2-CD1 4.03Å; L44-F74 HydrophobicContact CD2-CD2 4.48Å; L44-F74 HydrophobicContact CD2-CG 3.77Å; L44-L96 HydrophobicContact CB-CD1 4.19Å; L44-L96 HydrophobicContact CD1-CD1 3.86Å; L44-L96 HydrophobicContact CD2-CD1 3.93Å; L44-L96 HydrophobicContact CG-CD1 4.2Å; L44-V111 HydrophobicContact CD1-CG1 4.38Å; L44-V111 HydrophobicContact CD1-CG2 3.74Å
45	Q	97	Very high	90.4	Very high	63 Å²	63	51.3 Å²	51.3	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-53.9	-50.3	176.2	-173	70.1	25.8	0	0	110.5	Q41 V42 A47 M48 E49 K70	Q41-Q45 WeakPolarHBondContact O-CB 3.27Å; Q41-Q45 PolarHBondContact O-N 3.16Å; V42-Q45 WeakPolarHBondContact O-CB 3.35Å; V42-Q45 PolarHBondContact O-N 2.86Å; Q45-A47 VanDerWaalsContact C-N 3.32Å; Q45-A47 PolarHBondContact O-N 3.36Å; Q45-M48 PolarHBondContact O-N 3.24Å; Q45-E49 HydrophobicContact CG-CG 4.48Å; Q45-E49 VanDerWaalsContact NE2-CD 3.3Å; Q45-E49 PolarHBondContact NE2-OE1 3.07Å; Q45-E49 WeakPolarHBondContact O-CB 3.2Å; Q45-E49 WeakPolarHBondContact O-CG 3.38Å; Q45-E49 PolarHBondContact O-N 2.84Å; Q45-K70 VanDerWaalsContact OE1-CE 3.28Å
46	F	97.4	Very high	92.4	Very high	101 Å²	101	47.2 Å²	47.2	44%	0.443	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-38.9	179.2	-169.2	-92.4	0	0	0	112.3	V42 M43 L44 T50 Q104	V42-F46 PolarHBondContact O-N 2.98Å; M43-F46 PolarHBondContact O-N 3.29Å; L44-F46 VanDerWaalsContact C-N 3.29Å; L44-F46 PolarHBondContact O-N 3Å; F46-T50 HydrophobicContact CD1-CG2 4.33Å; F46-T50 VanDerWaalsContact CD1-OG1 3.31Å; F46-T50 WeakPolarHBondContact CD1-OG1 3.44Å; F46-T50 HydrophobicContact CD2-CG2 3.87Å; F46-T50 HydrophobicContact CE1-CG2 4.18Å; F46-T50 WeakPolarHBondContact CE1-OG1 3.45Å; F46-T50 HydrophobicContact CE2-CG2 3.69Å; F46-T50 HydrophobicContact CG-CG2 4.2Å; F46-T50 HydrophobicContact CZ-CG2 3.86Å; F46-T50 WeakPolarHBondContact O-CB 3.49Å; F46-T50 WeakPolarHBondContact O-CG2 3.41Å; F46-T50 PolarHBondContact O-N 3.22Å; F46-T50 PolarHBondContact O-OG1 2.84Å; F46-Q104 HydrophobicContact CD1-CG 3.67Å; F46-Q104 HydrophobicContact CE1-CG 4.05Å
47	A	97.6	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-48.2	176.3	0	0	0	0	0	111.2	M43 L44 Q45 E49 S51 M107 N108 V111	M43-A47 WeakPolarHBondContact O-CB 3.18Å; M43-A47 PolarHBondContact O-N 3.48Å; L44-A47 WeakPolarHBondContact O-CB 3.39Å; L44-A47 PolarHBondContact O-N 3.25Å; L44-A47 VanDerWaalsContact O-N 3.1Å; Q45-A47 VanDerWaalsContact C-N 3.32Å; Q45-A47 PolarHBondContact O-N 3.36Å; A47-E49 PolarHBondContact O-N 2.84Å; A47-S51 WeakPolarHBondContact O-CB 3.34Å; A47-S51 PolarHBondContact O-N 3.32Å; A47-M107 HydrophobicContact CB-CG 4.21Å; A47-N108 WeakPolarHBondContact CA-OD1 3.35Å; A47-N108 VanDerWaalsContact CB-OD1 3.27Å; A47-N108 WeakPolarHBondContact CB-OD1 3.44Å; A47-V111 HydrophobicContact CB-CB 4.44Å; A47-V111 HydrophobicContact CB-CG1 4.48Å; A47-V111 HydrophobicContact CB-CG2 4.3Å
48	M	97.1	Very high	96	Very high	24 Å²	24	40.8 Å²	40.8	12%	0.118	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-38.3	-179.6	-66.6	177.6	73.2	0	0	112.6	L44 Q45 K55 L58 K70 F74	L44-M48 HydrophobicContact CD1-CG 3.85Å; L44-M48 HydrophobicContact CD1-SD 3.74Å; L44-M48 HydrophobicContact CG-CG 4.49Å; L44-M48 HydrophobicContact CG-SD 4Å; L44-M48 WeakPolarHBondContact O-CG 3.28Å; L44-M48 PolarHBondContact O-N 2.83Å; Q45-M48 PolarHBondContact O-N 3.24Å; M48-K55 WeakPolarHBondContact O-CG 3.36Å; M48-L58 HydrophobicContact CB-CD1 4.11Å; M48-L58 HydrophobicContact CE-CD1 3.84Å; M48-L58 HydrophobicContact CE-CD2 4.17Å; M48-L58 HydrophobicContact CG-CD1 4.27Å; M48-K70 HydrophobicContact CE-CB 3.92Å; M48-K70 HydrophobicContact CE-CG 4.45Å; M48-K70 HydrophobicContact SD-CB 3.81Å; M48-K70 HydrophobicContact SD-CD 4.11Å; M48-K70 HydrophobicContact SD-CG 3.68Å; M48-F74 HydrophobicContact CE-CE2 3.96Å; M48-F74 HydrophobicContact SD-CD2 4.37Å; M48-F74 HydrophobicContact SD-CE2 4.02Å; M48-F74 HydrophobicContact SD-CZ 4.43Å
49	E	95.9	Very high	96.7	Very high	113 Å²	113	36.1 Å²	36.1	53%	0.528	18%	0.183	S	C	.	.	H	α-helix	trans	-81.9	-31.2	-176.1	-71.5	-178	161.5	0	0	113.9	Q45 A47 K55	Q45-E49 HydrophobicContact CG-CG 4.48Å; Q45-E49 VanDerWaalsContact NE2-CD 3.3Å; Q45-E49 PolarHBondContact NE2-OE1 3.07Å; Q45-E49 WeakPolarHBondContact O-CB 3.2Å; Q45-E49 WeakPolarHBondContact O-CG 3.38Å; Q45-E49 PolarHBondContact O-N 2.84Å; A47-E49 PolarHBondContact O-N 2.84Å; E49-K55 WeakPolarHBondContact O-CD 3.31Å
50	T	95.8	Very high	97	Very high	51 Å²	51	32 Å²	32	31%	0.313	17%	0.165	S	C	.	.	H	α-helix	trans	-117.4	-20.5	-167.8	75.2	0	0	0	0	114.5	F46 P52	F46-T50 HydrophobicContact CD1-CG2 4.33Å; F46-T50 VanDerWaalsContact CD1-OG1 3.31Å; F46-T50 WeakPolarHBondContact CD1-OG1 3.44Å; F46-T50 HydrophobicContact CD2-CG2 3.87Å; F46-T50 HydrophobicContact CE1-CG2 4.18Å; F46-T50 WeakPolarHBondContact CE1-OG1 3.45Å; F46-T50 HydrophobicContact CE2-CG2 3.69Å; F46-T50 HydrophobicContact CG-CG2 4.2Å; F46-T50 HydrophobicContact CZ-CG2 3.86Å; F46-T50 WeakPolarHBondContact O-CB 3.49Å; F46-T50 WeakPolarHBondContact O-CG2 3.41Å; F46-T50 PolarHBondContact O-N 3.22Å; F46-T50 PolarHBondContact O-OG1 2.84Å; T50-P52 WeakPolarHBondContact O-CD 3.38Å
51	S	96.9	Very high	97.1	Very high	6 Å²	6	32 Å²	32	4%	0.042	17%	0.165	C	C	.	.			trans	-76.3	118.3	178.2	-175.6	0	0	0	0	109.7	A47 Y53 A54 K55	A47-S51 WeakPolarHBondContact O-CB 3.34Å; A47-S51 PolarHBondContact O-N 3.32Å; S51-Y53 PolarHBondContact O-N 3.09Å; S51-Y53 PolarHBondContact OG-N 3.38Å; S51-A54 PolarHBondContact O-N 2.98Å; S51-K55 WeakPolarHBondContact O-CG 3.16Å; S51-K55 PolarHBondContact O-N 2.67Å
52	P	97.3	Very high	97.1	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.045	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-28	175	27.3	-36.1	0	0	0	111.9	T50 L56 K214 A217 K218	T50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-L56 WeakPolarHBondContact O-CB 3.29Å; P52-L56 PolarHBondContact O-N 3.07Å; P52-L56 VanDerWaalsContact O-N 3.09Å; P52-K214 HydrophobicContact CG-CG 4.29Å; P52-A217 HydrophobicContact CB-CB 4.17Å; P52-A217 HydrophobicContact CG-CB 3.68Å; P52-K218 HydrophobicContact CB-CB 4.47Å; P52-K218 HydrophobicContact CB-CG 3.88Å; P52-K218 HydrophobicContact CG-CG 3.96Å
53	Y	97.9	Very high	97	Very high	22 Å²	22	36.9 Å²	36.9	9%	0.086	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-54.6	174.8	-65.7	-101	0	0	0	111.7	S51 K55 L56 L57 T112 L145 F207 P211 D213 A217	S51-Y53 PolarHBondContact O-N 3.09Å; S51-Y53 PolarHBondContact OG-N 3.38Å; Y53-K55 PolarHBondContact O-N 3.47Å; Y53-L56 PolarHBondContact O-N 3.44Å; Y53-L57 PolarHBondContact O-N 3.22Å; Y53-T112 WeakPolarHBondContact CB-OG1 3.02Å; Y53-T112 HydrophobicContact CD1-CG2 3.92Å; Y53-T112 HydrophobicContact CG-CG2 4.11Å; Y53-L145 WeakPolarHBondContact CD1-O 3.46Å; Y53-L145 WeakPolarHBondContact CE1-O 3.2Å; Y53-F207 AromaticContact CD1-CE1 3.77Å; Y53-F207 HydrophobicContact CD1-CE1 3.77Å; Y53-F207 HydrophobicContact CD1-CZ 4.02Å; Y53-F207 HydrophobicContact CG-CE1 4.34Å; Y53-P211 HydrophobicContact CD1-CB 4.46Å; Y53-P211 HydrophobicContact CD1-CG 4.22Å; Y53-P211 HydrophobicContact CE1-CB 3.55Å; Y53-P211 HydrophobicContact CE1-CG 3.65Å; Y53-P211 PolarHBondContact OH-O 2.99Å; Y53-D213 PolarHBondContact OH-O 3.28Å; Y53-A217 HydrophobicContact CD1-CB 4.17Å; Y53-A217 HydrophobicContact CD2-CB 3.47Å; Y53-A217 VanDerWaalsContact CD2-CB 3.47Å; Y53-A217 HydrophobicContact CE1-CB 3.94Å; Y53-A217 HydrophobicContact CE2-CB 3.17Å; Y53-A217 HydrophobicContact CG-CB 3.96Å; Y53-A217 VanDerWaalsContact CZ-CB 3.44Å
54	A	97.8	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-43.9	-179.3	0	0	0	0	0	111	S51 L56 L57 L58 V111 L115	S51-A54 PolarHBondContact O-N 2.98Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.19Å; A54-L57 PolarHBondContact O-N 3Å; A54-L58 WeakPolarHBondContact O-CB 3.03Å; A54-L58 WeakPolarHBondContact O-CG 3.43Å; A54-L58 PolarHBondContact O-N 2.98Å; A54-V111 HydrophobicContact CB-CG1 4.44Å; A54-L115 HydrophobicContact CB-CD1 4.09Å
55	K	97.9	Very high	96.6	Very high	81 Å²	81	42.7 Å²	42.7	35%	0.352	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-42.5	177.7	-68.4	-172.7	79.9	175.3	0	112.8	M48 E49 S51 Y53 G59 Y221	M48-K55 WeakPolarHBondContact O-CG 3.36Å; E49-K55 WeakPolarHBondContact O-CD 3.31Å; S51-K55 WeakPolarHBondContact O-CG 3.16Å; S51-K55 PolarHBondContact O-N 2.67Å; Y53-K55 PolarHBondContact O-N 3.47Å; K55-G59 PolarHBondContact O-N 2.97Å; K55-Y221 HydrophobicContact CB-CD2 4.19Å; K55-Y221 HydrophobicContact CB-CE1 4.37Å; K55-Y221 HydrophobicContact CB-CE2 3.76Å; K55-Y221 HydrophobicContact CD-CE1 4.31Å; K55-Y221 WeakPolarHBondContact CE-OH 3.46Å
56	L	98	Very high	96.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-51.4	175.5	-178.5	156.3	0	0	0	110.4	P52 Y53 A54 G59 A60 P206 F207 A220 Y221 F224	P52-L56 WeakPolarHBondContact O-CB 3.29Å; P52-L56 PolarHBondContact O-N 3.07Å; P52-L56 VanDerWaalsContact O-N 3.09Å; Y53-L56 PolarHBondContact O-N 3.44Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.19Å; L56-G59 PolarHBondContact O-N 3.49Å; L56-A60 WeakPolarHBondContact O-CB 3.44Å; L56-A60 PolarHBondContact O-N 3.28Å; L56-P206 HydrophobicContact CD2-CB 3.74Å; L56-P206 HydrophobicContact CD2-CG 3.49Å; L56-P206 VanDerWaalsContact CD2-CG 3.49Å; L56-F207 HydrophobicContact CB-CE1 4.37Å; L56-F207 HydrophobicContact CD1-CD1 3.67Å; L56-F207 HydrophobicContact CD1-CE1 4.15Å; L56-F207 HydrophobicContact CD1-CG 4.29Å; L56-F207 HydrophobicContact CD2-CD1 3.89Å; L56-F207 HydrophobicContact CD2-CD2 4.4Å; L56-F207 HydrophobicContact CD2-CE1 3.9Å; L56-F207 HydrophobicContact CD2-CE2 4.42Å; L56-F207 HydrophobicContact CD2-CG 4.14Å; L56-F207 HydrophobicContact CD2-CZ 4.18Å; L56-F207 HydrophobicContact CG-CD1 4.32Å; L56-F207 HydrophobicContact CG-CE1 4.39Å; L56-A220 HydrophobicContact CD1-CB 4.03Å; L56-Y221 HydrophobicContact CB-CD2 3.79Å; L56-Y221 HydrophobicContact CB-CG 4.46Å; L56-F224 HydrophobicContact CD1-CB 3.9Å; L56-F224 HydrophobicContact CD1-CG 4.4Å; L56-F224 HydrophobicContact CG-CB 4.11Å; L56-F224 HydrophobicContact CG-CD1 4.26Å; L56-F224 HydrophobicContact CG-CG 4.07Å
57	L	98.2	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-46.6	-177.9	-74.1	163.4	0	0	0	112	Y53 A54 G59 A60 M61 T112 L115 I116 F119 P206 F207	Y53-L57 PolarHBondContact O-N 3.22Å; A54-L57 PolarHBondContact O-N 3Å; L57-G59 VanDerWaalsContact C-N 3.28Å; L57-G59 PolarHBondContact O-N 2.66Å; L57-A60 PolarHBondContact O-N 3.39Å; L57-A60 VanDerWaalsContact O-N 3.16Å; L57-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 VanDerWaalsContact O-CG 3.27Å; L57-M61 WeakPolarHBondContact O-CG 2.9Å; L57-M61 PolarHBondContact O-N 3.02Å; L57-T112 HydrophobicContact CD1-CG2 3.78Å; L57-L115 HydrophobicContact CB-CB 4.18Å; L57-L115 HydrophobicContact CB-CD1 4.34Å; L57-L115 HydrophobicContact CD1-CB 3.71Å; L57-L115 HydrophobicContact CG-CB 4.48Å; L57-I116 HydrophobicContact CD1-CG1 3.88Å; L57-I116 HydrophobicContact CD2-CG1 4.08Å; L57-F119 HydrophobicContact CD2-CB 4.24Å; L57-F119 HydrophobicContact CD2-CD1 4.47Å; L57-F119 HydrophobicContact CD2-CG 4.37Å; L57-P206 HydrophobicContact CD2-CG 3.82Å; L57-F207 HydrophobicContact CD1-CE2 4.24Å; L57-F207 HydrophobicContact CD1-CZ 3.85Å; L57-F207 HydrophobicContact CD2-CE2 3.95Å; L57-F207 HydrophobicContact CD2-CZ 4.2Å; L57-F207 HydrophobicContact CG-CE2 4.09Å; L57-F207 HydrophobicContact CG-CZ 3.8Å
58	L	97.8	Very high	96.3	Very high	30 Å²	30	39.5 Å²	39.5	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-40	176.4	-67.3	171.3	0	0	0	111.5	M48 A54 K62 V68 L115	M48-L58 HydrophobicContact CB-CD1 4.11Å; M48-L58 HydrophobicContact CE-CD1 3.84Å; M48-L58 HydrophobicContact CE-CD2 4.17Å; M48-L58 HydrophobicContact CG-CD1 4.27Å; A54-L58 WeakPolarHBondContact O-CB 3.03Å; A54-L58 WeakPolarHBondContact O-CG 3.43Å; A54-L58 PolarHBondContact O-N 2.98Å; L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 3.3Å; L58-V68 HydrophobicContact CD2-CB 3.71Å; L58-V68 HydrophobicContact CD2-CG1 3.95Å; L58-V68 HydrophobicContact CD2-CG2 4.48Å; L58-L115 HydrophobicContact CD2-CD1 4.3Å; L58-L115 HydrophobicContact CD2-CD2 3.93Å; L58-L115 HydrophobicContact CG-CD1 4.28Å
59	G	96.8	Very high	96	Very high	26 Å²	26	45.4 Å²	45.4	27%	0.268	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-44.8	173.7	0	0	0	0	0	112.8	K55 L56 L57 K62 S63	K55-G59 PolarHBondContact O-N 2.97Å; L56-G59 PolarHBondContact O-N 3.49Å; L57-G59 VanDerWaalsContact C-N 3.28Å; L57-G59 PolarHBondContact O-N 2.66Å; G59-K62 PolarHBondContact O-N 3.32Å; G59-S63 PolarHBondContact O-N 2.9Å; G59-S63 PolarHBondContact O-OG 3.42Å
60	A	96.8	Very high	95.8	Very high	2 Å²	2	42.3 Å²	42.3	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-63	-47.9	177.8	0	0	0	0	0	111.8	L56 L57 K62 S63 S64 F119 P206 F224	L56-A60 WeakPolarHBondContact O-CB 3.44Å; L56-A60 PolarHBondContact O-N 3.28Å; L57-A60 PolarHBondContact O-N 3.39Å; L57-A60 VanDerWaalsContact O-N 3.16Å; A60-K62 VanDerWaalsContact C-N 3.33Å; A60-K62 PolarHBondContact O-N 3.35Å; A60-S63 WeakPolarHBondContact CA-OG 3.49Å; A60-S63 PolarHBondContact O-N 2.9Å; A60-S63 VanDerWaalsContact O-N 3.16Å; A60-S63 PolarHBondContact O-OG 3.33Å; A60-S64 PolarHBondContact O-N 2.02Å; A60-S64 PolarHBondContact O-OG 3.07Å; A60-S64 VanDerWaalsContact O-OG 3.11Å; A60-F119 HydrophobicContact CB-CD2 4.32Å; A60-F119 HydrophobicContact CB-CE2 3.84Å; A60-F119 HydrophobicContact CB-CZ 4.4Å; A60-P206 HydrophobicContact CB-CB 3.58Å; A60-P206 HydrophobicContact CB-CG 3.48Å; A60-P206 VanDerWaalsContact CB-CG 3.48Å; A60-F224 HydrophobicContact CB-CE2 3.81Å; A60-F224 HydrophobicContact CB-CZ 3.75Å; A60-F224 VanDerWaalsContact N-CZ 3.28Å
61	M	96.9	Very high	95.5	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.03	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-41.1	176.7	-70.9	-175.6	79.7	0	0	111.8	L57 S64 G65 C66 V68 L115 A118 F119	L57-M61 WeakPolarHBondContact O-CB 3.46Å; L57-M61 VanDerWaalsContact O-CG 3.27Å; L57-M61 WeakPolarHBondContact O-CG 2.9Å; L57-M61 PolarHBondContact O-N 3.02Å; M61-S64 PolarHBondContact O-N 3.5Å; M61-G65 PolarHBondContact O-N 2.97Å; M61-C66 WeakPolarHBondContact CB-O 3.42Å; M61-C66 HydrophobicContact CE-CB 4.49Å; M61-C66 CarbonylContact O-C 3.35Å; M61-C66 WeakPolarHBondContact O-CA 3.39Å; M61-C66 PolarHBondContact O-N 2.92Å; M61-V68 HydrophobicContact CB-CG2 4.29Å; M61-V68 HydrophobicContact CE-CG2 3.15Å; M61-V68 HydrophobicContact SD-CG2 3.41Å; M61-V68 WeakPolarHBondContact SD-CG2 3.25Å; M61-L115 HydrophobicContact SD-CD2 4.01Å; M61-A118 HydrophobicContact CE-CB 3.65Å; M61-A118 HydrophobicContact SD-CB 4.27Å; M61-F119 HydrophobicContact CG-CB 4.03Å; M61-F119 HydrophobicContact CG-CD2 3.77Å; M61-F119 HydrophobicContact CG-CG 4.38Å; M61-F119 HydrophobicContact SD-CB 4.23Å
62	K	96.1	Very high	95.2	Very high	158 Å²	158	54.6 Å²	54.6	69%	0.687	30%	0.295	S	S	*	.	H	α-helix	trans	-61.1	-44.6	173.1	-174.8	178.2	180	-180	0	112	L58 G59 A60 S64 G65 A67	L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 3.3Å; G59-K62 PolarHBondContact O-N 3.32Å; A60-K62 VanDerWaalsContact C-N 3.33Å; A60-K62 PolarHBondContact O-N 3.35Å; K62-S64 VanDerWaalsContact C-N 3.28Å; K62-S64 PolarHBondContact O-N 2.84Å; K62-G65 PolarHBondContact O-N 2.74Å; K62-A67 HydrophobicContact CG-CB 4.49Å
63	S	93.4	Very high	95.2	Very high	71 Å²	71	55.3 Å²	55.3	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-68.6	-25.6	178	52.5	0	0	0	0	113.9	G59 A60 G65 R227	G59-S63 PolarHBondContact O-N 2.9Å; G59-S63 PolarHBondContact O-OG 3.42Å; A60-S63 WeakPolarHBondContact CA-OG 3.49Å; A60-S63 PolarHBondContact O-N 2.9Å; A60-S63 VanDerWaalsContact O-N 3.16Å; A60-S63 PolarHBondContact O-OG 3.33Å; S63-G65 VanDerWaalsContact C-N 3.32Å; S63-R227 PolarHBondContact OG-NH2 3.47Å
64	S	92.7	Very high	95.1	Very high	64 Å²	64	54.9 Å²	54.9	45%	0.448	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	4.5	176.9	-58.4	0	0	0	0	113.7	A60 M61 K62	A60-S64 PolarHBondContact O-N 2.02Å; A60-S64 PolarHBondContact O-OG 3.07Å; A60-S64 VanDerWaalsContact O-OG 3.11Å; M61-S64 PolarHBondContact O-N 3.5Å; K62-S64 VanDerWaalsContact C-N 3.28Å; K62-S64 PolarHBondContact O-N 2.84Å
65	G	94	Very high	95	Very high	71 Å²	71	56.3 Å²	56.3	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	7.3	179.3	0	0	0	0	0	115.4	M61 K62 S63	M61-G65 PolarHBondContact O-N 2.97Å; K62-G65 PolarHBondContact O-N 2.74Å; S63-G65 VanDerWaalsContact C-N 3.32Å
66	C	94.5	Very high	94.9	Very high	45 Å²	45	52.7 Å²	52.7	30%	0.304	29%	0.292	S	S	.	.			trans	-113.3	54.1	179.8	-54.8	0	0	0	0	111.2	M61 V68 C122	M61-C66 WeakPolarHBondContact CB-O 3.42Å; M61-C66 HydrophobicContact CE-CB 4.49Å; M61-C66 CarbonylContact O-C 3.35Å; M61-C66 WeakPolarHBondContact O-CA 3.39Å; M61-C66 PolarHBondContact O-N 2.92Å; C66-V68 PolarHBondContact O-N 3.28Å; C66-C122 HydrophobicContact CB-CB 3.61Å; C66-C122 WeakPolarHBondContact CB-SG 3.33Å; C66-C122 WeakPolarHBondContact SG-CB 3.42Å; C66-C122 CovalentContact SG-SG 2.02Å; C66-C122 PolarHBondContact SG-SG 3.33Å
67	A	94.5	Very high	94.6	Very high	29 Å²	29	53.3 Å²	53.3	24%	0.24	30%	0.295	C	S	.	.			trans	-57.2	126.7	-175.8	0	0	0	0	0	112.2	K62 Y69 H73	K62-A67 HydrophobicContact CG-CB 4.49Å; A67-Y69 HydrophobicContact CB-CE2 4.13Å; A67-H73 PolarHBondContact O-CE1 3.42Å
68	V	95	Very high	94.3	Very high	23 Å²	23	56.8 Å²	56.8	14%	0.139	31%	0.313	C	S	.	.			trans	-96.8	122.9	178.9	-178.9	0	0	0	0	110.2	L58 M61 C66 H73 F74 L115	L58-V68 HydrophobicContact CD2-CB 3.71Å; L58-V68 HydrophobicContact CD2-CG1 3.95Å; L58-V68 HydrophobicContact CD2-CG2 4.48Å; M61-V68 HydrophobicContact CB-CG2 4.29Å; M61-V68 HydrophobicContact CE-CG2 3.15Å; M61-V68 HydrophobicContact SD-CG2 3.41Å; M61-V68 WeakPolarHBondContact SD-CG2 3.25Å; C66-V68 PolarHBondContact O-N 3.28Å; V68-H73 HydrophobicContact CG1-CB 3.82Å; V68-F74 HydrophobicContact CG1-CD2 4.31Å; V68-F74 HydrophobicContact CG1-CE2 3.56Å; V68-F74 HydrophobicContact CG1-CZ 4.32Å; V68-L115 HydrophobicContact CG1-CD2 4.3Å; V68-L115 HydrophobicContact CG2-CD2 4.43Å
69	Y	92.2	Very high	93.9	Very high	148 Å²	148	55.9 Å²	55.9	58%	0.58	31%	0.309	S	S	*	.			trans	-107.9	132.3	173.4	-54.4	-71.7	0	0	0	111.1	A67 D71 R72 H73	A67-Y69 HydrophobicContact CB-CE2 4.13Å; Y69-D71 PolarHBondContact O-N 3.11Å; Y69-R72 PolarHBondContact O-N 3.37Å; Y69-H73 AromaticContact CD2-CE1 3.76Å; Y69-H73 PolarHBondContact N-ND1 2.85Å; Y69-H73 WeakPolarHBondContact O-CB 3.2Å; Y69-H73 PolarHBondContact O-N 2.63Å; Y69-H73 PolarHBondContact O-ND1 3.4Å; Y69-H73 VanDerWaalsContact O-ND1 3.07Å
70	K	91.6	Very high	93.6	Very high	49 Å²	49	58 Å²	58	21%	0.213	32%	0.315	C	S	.	.	H	α-helix	trans	-51.2	-55.7	-178.9	-169.9	-172.7	67.3	164.5	0	112.2	L44 Q45 M48 R72 F74	L44-K70 HydrophobicContact CD2-CD 4.22Å; L44-K70 HydrophobicContact CD2-CG 3.79Å; L44-K70 HydrophobicContact CG-CD 4.33Å; L44-K70 HydrophobicContact CG-CG 4.21Å; Q45-K70 VanDerWaalsContact OE1-CE 3.28Å; M48-K70 HydrophobicContact CE-CB 3.92Å; M48-K70 HydrophobicContact CE-CG 4.45Å; M48-K70 HydrophobicContact SD-CB 3.81Å; M48-K70 HydrophobicContact SD-CD 4.11Å; M48-K70 HydrophobicContact SD-CG 3.68Å; K70-R72 PolarHBondContact O-N 2.68Å; K70-R72 VanDerWaalsContact O-N 3.11Å; K70-F74 WeakPolarHBondContact O-CB 3.47Å; K70-F74 PolarHBondContact O-N 2.86Å; K70-F74 VanDerWaalsContact O-N 3.14Å
71	D	89.4	Confident	93	Very high	143 Å²	143	60.7 Å²	60.7	77%	0.765	34%	0.342	S	S	*	.	H	α-helix	trans	-73.1	-7.4	-170.6	-50.5	-38.2	0	0	0	114.1	Y69	Y69-D71 PolarHBondContact O-N 3.11Å
72	R	91.4	Very high	92.5	Very high	171 Å²	171	65.7 Å²	65.7	65%	0.645	37%	0.373	S	S	*	.	H	α-helix	trans	-109.4	-44	178.8	174.3	178.5	160.3	142.3	3.7	112.3	Y69 K70 Q93	Y69-R72 PolarHBondContact O-N 3.37Å; K70-R72 PolarHBondContact O-N 2.68Å; K70-R72 VanDerWaalsContact O-N 3.11Å; R72-Q93 PolarHBondContact O-NE2 3.23Å; R72-Q93 VanDerWaalsContact O-NE2 3.08Å
73	H	96.3	Very high	92.1	Very high	23 Å²	23	59 Å²	59	11%	0.106	35%	0.346	C	S	.	.	H	α-helix	trans	-103.3	-2	-167.4	-55.8	94.9	0	0	0	113.2	A67 V68 Y69 S92 Q93 I94	A67-H73 PolarHBondContact O-CE1 3.42Å; V68-H73 HydrophobicContact CG1-CB 3.82Å; Y69-H73 AromaticContact CD2-CE1 3.76Å; Y69-H73 PolarHBondContact N-ND1 2.85Å; Y69-H73 WeakPolarHBondContact O-CB 3.2Å; Y69-H73 PolarHBondContact O-N 2.63Å; Y69-H73 PolarHBondContact O-ND1 3.4Å; Y69-H73 VanDerWaalsContact O-ND1 3.07Å; H73-S92 PolarHBondContact CD2-O 3.4Å; H73-S92 VanDerWaalsContact CD2-O 3.3Å; H73-Q93 CarbonylContact O-C 3.55Å; H73-Q93 WeakPolarHBondContact O-CA 3.37Å; H73-I94 PolarHBondContact O-N 3.37Å
74	F	96.8	Very high	92.1	Very high	12 Å²	12	57.3 Å²	57.3	5%	0.053	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.5	174.5	-68.3	-94.5	0	0	0	110.9	L44 M48 V68 K70 I94 L96 V111 L115	L44-F74 HydrophobicContact CD1-CD1 3.69Å; L44-F74 HydrophobicContact CD1-CE1 3.82Å; L44-F74 HydrophobicContact CD1-CG 4.08Å; L44-F74 HydrophobicContact CD1-CZ 4.29Å; L44-F74 HydrophobicContact CD2-CB 3.46Å; L44-F74 VanDerWaalsContact CD2-CB 3.46Å; L44-F74 HydrophobicContact CD2-CD1 4.03Å; L44-F74 HydrophobicContact CD2-CD2 4.48Å; L44-F74 HydrophobicContact CD2-CG 3.77Å; M48-F74 HydrophobicContact CE-CE2 3.96Å; M48-F74 HydrophobicContact SD-CD2 4.37Å; M48-F74 HydrophobicContact SD-CE2 4.02Å; M48-F74 HydrophobicContact SD-CZ 4.43Å; V68-F74 HydrophobicContact CG1-CD2 4.31Å; V68-F74 HydrophobicContact CG1-CE2 3.56Å; V68-F74 HydrophobicContact CG1-CZ 4.32Å; K70-F74 WeakPolarHBondContact O-CB 3.47Å; K70-F74 PolarHBondContact O-N 2.86Å; K70-F74 VanDerWaalsContact O-N 3.14Å; F74-I94 CarbonylContact C-O 3.24Å; F74-I94 VanDerWaalsContact CA-O 3.29Å; F74-I94 WeakPolarHBondContact CA-O 3.17Å; F74-I94 HydrophobicContact CD1-CB 3.73Å; F74-I94 HydrophobicContact CD1-CD1 4.32Å; F74-I94 HydrophobicContact CD1-CG2 3.64Å; F74-I94 HydrophobicContact CE1-CB 3.88Å; F74-I94 HydrophobicContact CE1-CD1 3.61Å; F74-I94 HydrophobicContact CE1-CG1 4.34Å; F74-I94 HydrophobicContact CE1-CG2 3.7Å; F74-I94 HydrophobicContact CE2-CD1 4.5Å; F74-I94 HydrophobicContact CG-CB 4.41Å; F74-I94 HydrophobicContact CZ-CD1 3.74Å; F74-L96 HydrophobicContact CD1-CD1 4.01Å; F74-L96 HydrophobicContact CD1-CG 4.43Å; F74-V111 HydrophobicContact CE1-CG1 4.12Å; F74-V111 HydrophobicContact CE1-CG2 4.48Å; F74-V111 HydrophobicContact CZ-CG1 4.35Å; F74-L115 HydrophobicContact CZ-CD1 4.44Å; F74-L115 HydrophobicContact CZ-CD2 3.93Å; F74-L115 HydrophobicContact CZ-CG 4.14Å
75	S	95	Very high	92.3	Very high	30 Å²	30	54.8 Å²	54.8	21%	0.21	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.5	174.6	-168.8	0	0	0	0	109.2	E77 I94 V95 L96	S75-E77 WeakPolarHBondContact CB-OE1 3.38Å; S75-E77 VanDerWaalsContact OG-CG 3.3Å; S75-E77 WeakPolarHBondContact OG-CG 3.44Å; S75-E77 PolarHBondContact OG-OE1 3.14Å; S75-I94 PolarHBondContact N-O 3.24Å; S75-V95 CarbonylContact O-C 3.59Å; S75-L96 PolarHBondContact O-N 3.47Å
76	C	94.8	Very high	92.3	Very high	6 Å²	6	52 Å²	52	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.2	171.6	-71.1	0	0	0	0	107.2	N37 C40 L96	N37-C76 PolarHBondContact ND2-O 3.4Å; C40-C76 HydrophobicContact CB-CB 3.66Å; C40-C76 WeakPolarHBondContact CB-SG 3.49Å; C40-C76 WeakPolarHBondContact SG-CB 3.46Å; C40-C76 CovalentContact SG-SG 2.03Å; C40-C76 PolarHBondContact SG-SG 3.33Å; C76-L96 WeakPolarHBondContact CA-O 3.4Å
77	E	92.9	Very high	92.4	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.061	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	158.1	-171.4	-61.9	176.7	-157.9	0	0	109.9	E18 R19 S75 V95 L96 C97 Q98	E18-E77 HydrophobicContact CB-CB 4.47Å; E18-E77 HydrophobicContact CB-CG 4.44Å; E18-E77 HydrophobicContact CG-CB 4.49Å; R19-E77 WeakPolarHBondContact CG-OE2 3.41Å; S75-E77 WeakPolarHBondContact CB-OE1 3.38Å; S75-E77 VanDerWaalsContact OG-CG 3.3Å; S75-E77 WeakPolarHBondContact OG-CG 3.44Å; S75-E77 PolarHBondContact OG-OE1 3.14Å; E77-V95 HydrophobicContact CB-CG1 3.84Å; E77-V95 HydrophobicContact CG-CG1 3.94Å; E77-L96 PolarHBondContact N-O 3.05Å; E77-C97 CarbonylContact O-C 3.49Å; E77-C97 WeakPolarHBondContact O-CA 3.42Å; E77-Q98 PolarHBondContact O-N 3.32Å
78	D	90.7	Very high	92.4	Very high	73 Å²	73	50.8 Å²	50.8	39%	0.39	28%	0.275	S	S	.	.			trans	-84.6	121.1	166	-70.2	-20.8	0	0	0	109.8	E18 Q98	E18-D78 PolarHBondContact OE1-N 3.01Å; D78-Q98 WeakPolarHBondContact OD1-CG 3.43Å; D78-Q98 PolarHBondContact OD1-NE2 3.06Å
79	C	90.7	Very high	92.3	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.068	27%	0.272	C	S	.	.			trans	-112.7	174.9	-177.6	-50.4	0	0	0	0	112.5	L15 F16 V83 C97 N99	L15-C79 WeakPolarHBondContact O-CB 3.41Å; F16-C79 HydrophobicContact CD1-CB 4.41Å; F16-C79 VanDerWaalsContact CD1-SG 3.58Å; C79-V83 HydrophobicContact CB-CG2 3.88Å; C79-C97 HydrophobicContact CB-CB 3.52Å; C79-C97 WeakPolarHBondContact CB-SG 3.47Å; C79-C97 WeakPolarHBondContact SG-CA 3.46Å; C79-C97 WeakPolarHBondContact SG-CB 3.44Å; C79-C97 CovalentContact SG-SG 2.03Å; C79-C97 PolarHBondContact SG-SG 3.08Å; C79-N99 PolarHBondContact N-OD1 2.73Å; C79-N99 PolarHBondContact O-ND2 2.86Å
80	D	89.7	Confident	92.3	Very high	72 Å²	72	48.1 Å²	48.1	39%	0.385	28%	0.275	S	S	.	.			trans	-55.2	145.6	163	-177.1	-96.3	0	0	0	111.7	L15 T82 V83 N100	L15-D80 HydrophobicContact CB-CB 4.48Å; L15-D80 HydrophobicContact CD2-CB 3.99Å; L15-D80 PolarHBondContact O-N 2.92Å; D80-T82 PolarHBondContact O-N 3.1Å; D80-T82 VanDerWaalsContact OD1-CB 3.28Å; D80-T82 WeakPolarHBondContact OD1-CB 3.35Å; D80-T82 VanDerWaalsContact OD1-CG2 3.28Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.5Å; D80-T82 PolarHBondContact OD1-N 3.35Å; D80-T82 PolarHBondContact OD1-OG1 2.91Å; D80-V83 PolarHBondContact O-N 3.33Å; D80-N100 PolarHBondContact O-ND2 2.82Å
81	G	85.1	Confident	92.2	Very high	58 Å²	58	48 Å²	48	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.2	-175.3	0	0	0	0	0	115.4
82	T	85.2	Confident	92.4	Very high	110 Å²	110	43.5 Å²	43.5	68%	0.675	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-16.8	-177	62.6	0	0	0	0	114.3	D80	D80-T82 PolarHBondContact O-N 3.1Å; D80-T82 VanDerWaalsContact OD1-CB 3.28Å; D80-T82 WeakPolarHBondContact OD1-CB 3.35Å; D80-T82 VanDerWaalsContact OD1-CG2 3.28Å; D80-T82 WeakPolarHBondContact OD1-CG2 3.5Å; D80-T82 PolarHBondContact OD1-N 3.35Å; D80-T82 PolarHBondContact OD1-OG1 2.91Å
83	V	89.1	Confident	92.6	Very high	19 Å²	19	38.2 Å²	38.2	12%	0.115	24%	0.242	C	C	.	.			trans	-115.9	145.8	-177.3	-67.6	0	0	0	0	112.3	L15 F16 C79 D80 N100	L15-V83 HydrophobicContact CB-CG1 4.49Å; L15-V83 HydrophobicContact CB-CG2 4.06Å; L15-V83 HydrophobicContact CD1-CG1 3.84Å; F16-V83 HydrophobicContact CE1-CG2 4.39Å; F16-V83 HydrophobicContact CZ-CG2 4.34Å; C79-V83 HydrophobicContact CB-CG2 3.88Å; D80-V83 PolarHBondContact O-N 3.33Å; V83-N100 PolarHBondContact O-ND2 3.48Å
84	S	93.4	Very high	92.7	Very high	34 Å²	34	37.2 Å²	37.2	24%	0.238	24%	0.238	C	C	.	.	S	Bend	trans	-107.1	-15.6	177.9	-59.6	0	0	0	0	113.2	C97 I101 H106	S84-C97 VanDerWaalsContact C-SG 3.59Å; S84-C97 WeakPolarHBondContact O-CB 3.39Å; S84-C97 PolarHBondContact O-N 2.97Å; S84-I101 WeakPolarHBondContact O-CD1 3.49Å; S84-H106 PolarHBondContact OG-CE1 3.2Å; S84-H106 PolarHBondContact OG-NE2 3.39Å
85	G	95.2	Very high	92.7	Very high	12 Å²	12	36.7 Å²	36.7	12%	0.124	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-179.3	174.6	0	0	0	0	0	110.7	V95	G85-V95 CarbonylContact C-O 3.59Å; G85-V95 WeakPolarHBondContact CA-O 3.34Å
86	G	95.6	Very high	92.8	Very high	13 Å²	13	35.2 Å²	35.2	13%	0.134	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	153.2	173.1	0	0	0	0	0	112.3	I94 V95 E114	G86-I94 CarbonylContact O-C 3.55Å; G86-I94 WeakPolarHBondContact O-CA 3.24Å; G86-V95 PolarHBondContact N-O 3.37Å; G86-V95 PolarHBondContact O-N 2.66Å; G86-E114 VanDerWaalsContact CA-CD 3.5Å; G86-E114 WeakPolarHBondContact CA-OE2 3.48Å
87	F	96.8	Very high	92.8	Very high	32 Å²	32	35 Å²	35	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.4	172.2	175.2	-107.4	0	0	0	110.6	A89 I94 E114 H117 A118 H121 W128	F87-A89 HydrophobicContact CE1-CB 3.92Å; F87-I94 HydrophobicContact CD2-CG1 4.01Å; F87-E114 PolarHBondContact N-OE2 2.88Å; F87-H117 HydrophobicContact CB-CB 3.68Å; F87-H117 HydrophobicContact CD1-CB 4Å; F87-H117 HydrophobicContact CG-CB 3.95Å; F87-A118 HydrophobicContact CD2-CB 3.83Å; F87-A118 HydrophobicContact CE2-CB 3.62Å; F87-A118 HydrophobicContact CZ-CB 4.23Å; F87-H121 HydrophobicContact CE1-CB 3.63Å; F87-H121 AromaticContact CE1-CG 3.79Å; F87-H121 HydrophobicContact CZ-CB 3.86Å; F87-H121 AromaticContact CZ-CD2 3.77Å; F87-H121 AromaticContact CZ-CG 3.91Å; F87-W128 HydrophobicContact CD1-CH2 4.24Å; F87-W128 AromaticContact CD1-CZ2 3.79Å; F87-W128 HydrophobicContact CD1-CZ2 3.79Å; F87-W128 AromaticContact CE1-CE2 3.97Å; F87-W128 AromaticContact CE1-CZ2 3.87Å; F87-W128 HydrophobicContact CE1-CZ2 3.87Å; F87-W128 AromaticContact CE1-NE1 3.92Å
88	D	94.4	Very high	92.8	Very high	16 Å²	16	35.4 Å²	35.4	9%	0.086	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.8	168.3	179.2	7.9	0	0	0	110.1	Y13 R19 T90 S91 S92 Q93	Y13-D88 PolarHBondContact OH-OD1 3.49Å; Y13-D88 VanDerWaalsContact OH-OD1 3.12Å; R19-D88 IonicContact CZ-OD2 2.56Å; R19-D88 IonicContact NE-OD2 3.04Å; R19-D88 IonicContact NH1-OD2 3.88Å; R19-D88 IonicContact NH2-OD2 3.68Å; R19-D88 PolarHBondContact NH2-OD2 3.44Å; D88-T90 VanDerWaalsContact C-N 3.28Å; D88-T90 PolarHBondContact O-N 2.98Å; D88-T90 WeakPolarHBondContact OD1-CA 3.43Å; D88-T90 WeakPolarHBondContact OD1-CB 3.34Å; D88-T90 PolarHBondContact OD1-N 3.5Å; D88-T90 PolarHBondContact OD1-OG1 2.96Å; D88-T90 VanDerWaalsContact OD1-OG1 3.08Å; D88-S91 PolarHBondContact OD2-OG 3.23Å; D88-S92 CarbonylContact O-C 3.55Å; D88-S92 WeakPolarHBondContact O-CA 2.98Å; D88-S92 PolarHBondContact O-N 3.28Å; D88-Q93 PolarHBondContact N-O 2.85Å; D88-Q93 PolarHBondContact O-N 3.31Å; D88-Q93 VanDerWaalsContact O-N 3.12Å
89	A	92.9	Very high	92.9	Very high	11 Å²	11	34.5 Å²	34.5	9%	0.091	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.2	176.2	0	0	0	0	0	113.6	F87 W128 F129	F87-A89 HydrophobicContact CE1-CB 3.92Å; A89-W128 HydrophobicContact CB-CB 4.48Å; A89-W128 HydrophobicContact CB-CD2 4.49Å; A89-W128 HydrophobicContact CB-CG 3.83Å; A89-F129 HydrophobicContact CB-CE2 4.43Å
90	T	90.4	Very high	93	Very high	104 Å²	104	35.5 Å²	35.5	64%	0.638	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-47.6	-177.4	-45.5	0	0	0	0	111.3	Y13 D88	Y13-T90 PolarHBondContact OH-OG1 3.34Å; D88-T90 VanDerWaalsContact C-N 3.28Å; D88-T90 PolarHBondContact O-N 2.98Å; D88-T90 WeakPolarHBondContact OD1-CA 3.43Å; D88-T90 WeakPolarHBondContact OD1-CB 3.34Å; D88-T90 PolarHBondContact OD1-N 3.5Å; D88-T90 PolarHBondContact OD1-OG1 2.96Å; D88-T90 VanDerWaalsContact OD1-OG1 3.08Å
91	S	91	Very high	93.2	Very high	46 Å²	46	32.3 Å²	32.3	32%	0.322	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.6	176.7	77.6	0	0	0	0	113.6	R19 D88 Q93	R19-S91 PolarHBondContact NH2-OG 2.86Å; D88-S91 PolarHBondContact OD2-OG 3.23Å; S91-Q93 PolarHBondContact O-N 3.45Å; S91-Q93 VanDerWaalsContact OG-CB 3.31Å; S91-Q93 WeakPolarHBondContact OG-CB 3.27Å; S91-Q93 WeakPolarHBondContact OG-CG 3.42Å; S91-Q93 PolarHBondContact OG-OE1 3.27Å
92	S	93.7	Very high	93.5	Very high	48 Å²	48	35.2 Å²	35.2	34%	0.336	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.1	-170.7	-60.7	0	0	0	0	112.5	H73 D88	H73-S92 PolarHBondContact CD2-O 3.4Å; H73-S92 VanDerWaalsContact CD2-O 3.3Å; D88-S92 CarbonylContact O-C 3.55Å; D88-S92 WeakPolarHBondContact O-CA 2.98Å; D88-S92 PolarHBondContact O-N 3.28Å
93	Q	95.6	Very high	93.9	Very high	60 Å²	60	36.1 Å²	36.1	28%	0.28	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142	-179.3	-69.2	178.8	-52.6	0	0	112.1	R72 H73 D88 S91	R72-Q93 PolarHBondContact O-NE2 3.23Å; R72-Q93 VanDerWaalsContact O-NE2 3.08Å; H73-Q93 CarbonylContact O-C 3.55Å; H73-Q93 WeakPolarHBondContact O-CA 3.37Å; D88-Q93 PolarHBondContact N-O 2.85Å; D88-Q93 PolarHBondContact O-N 3.31Å; D88-Q93 VanDerWaalsContact O-N 3.12Å; S91-Q93 PolarHBondContact O-N 3.45Å; S91-Q93 VanDerWaalsContact OG-CB 3.31Å; S91-Q93 WeakPolarHBondContact OG-CB 3.27Å; S91-Q93 WeakPolarHBondContact OG-CG 3.42Å; S91-Q93 PolarHBondContact OG-OE1 3.27Å
94	I	97.5	Very high	94.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	121.2	169.4	-65.4	172.2	0	0	0	108	H73 F74 S75 G86 F87 L96 E114 L115 A118	H73-I94 PolarHBondContact O-N 3.37Å; F74-I94 CarbonylContact C-O 3.24Å; F74-I94 VanDerWaalsContact CA-O 3.29Å; F74-I94 WeakPolarHBondContact CA-O 3.17Å; F74-I94 HydrophobicContact CD1-CB 3.73Å; F74-I94 HydrophobicContact CD1-CD1 4.32Å; F74-I94 HydrophobicContact CD1-CG2 3.64Å; F74-I94 HydrophobicContact CE1-CB 3.88Å; F74-I94 HydrophobicContact CE1-CD1 3.61Å; F74-I94 HydrophobicContact CE1-CG1 4.34Å; F74-I94 HydrophobicContact CE1-CG2 3.7Å; F74-I94 HydrophobicContact CE2-CD1 4.5Å; F74-I94 HydrophobicContact CG-CB 4.41Å; F74-I94 HydrophobicContact CZ-CD1 3.74Å; S75-I94 PolarHBondContact N-O 3.24Å; G86-I94 CarbonylContact O-C 3.55Å; G86-I94 WeakPolarHBondContact O-CA 3.24Å; F87-I94 HydrophobicContact CD2-CG1 4.01Å; I94-L96 HydrophobicContact CG2-CD2 3.97Å; I94-L96 HydrophobicContact CG2-CG 4.32Å; I94-E114 HydrophobicContact CB-CB 4.23Å; I94-E114 HydrophobicContact CD1-CB 4.02Å; I94-E114 HydrophobicContact CG1-CB 3.9Å; I94-E114 HydrophobicContact CG2-CB 3.41Å; I94-E114 VanDerWaalsContact CG2-CB 3.41Å; I94-E114 HydrophobicContact CG2-CG 3.81Å; I94-L115 HydrophobicContact CD1-CD2 3.79Å; I94-L115 HydrophobicContact CD1-CG 3.98Å; I94-A118 HydrophobicContact CD1-CB 4.27Å
95	V	96.4	Very high	94.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.9	172.9	-175	0	0	0	0	108.9	F16 S75 E77 G85 G86	F16-V95 HydrophobicContact CD1-CB 4.05Å; F16-V95 HydrophobicContact CD1-CG1 3.65Å; F16-V95 HydrophobicContact CD1-CG2 4.45Å; F16-V95 HydrophobicContact CE1-CB 3.97Å; F16-V95 HydrophobicContact CE1-CG1 3.89Å; S75-V95 CarbonylContact O-C 3.59Å; E77-V95 HydrophobicContact CB-CG1 3.84Å; E77-V95 HydrophobicContact CG-CG1 3.94Å; G85-V95 CarbonylContact C-O 3.59Å; G85-V95 WeakPolarHBondContact CA-O 3.34Å; G86-V95 PolarHBondContact N-O 3.37Å; G86-V95 PolarHBondContact O-N 2.66Å
96	L	97.2	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.3	177.1	-58.9	172.9	0	0	0	108.4	L44 F74 S75 C76 E77 I94 Q98 I101 M107 V110 V111	L44-L96 HydrophobicContact CB-CD1 4.19Å; L44-L96 HydrophobicContact CD1-CD1 3.86Å; L44-L96 HydrophobicContact CD2-CD1 3.93Å; L44-L96 HydrophobicContact CG-CD1 4.2Å; F74-L96 HydrophobicContact CD1-CD1 4.01Å; F74-L96 HydrophobicContact CD1-CG 4.43Å; S75-L96 PolarHBondContact O-N 3.47Å; C76-L96 WeakPolarHBondContact CA-O 3.4Å; E77-L96 PolarHBondContact N-O 3.05Å; I94-L96 HydrophobicContact CG2-CD2 3.97Å; I94-L96 HydrophobicContact CG2-CG 4.32Å; L96-Q98 PolarHBondContact O-N 2.86Å; L96-I101 HydrophobicContact CB-CD1 4.22Å; L96-M107 HydrophobicContact CD1-CE 4.3Å; L96-M107 HydrophobicContact CD1-SD 3.86Å; L96-M107 HydrophobicContact CD2-SD 4.23Å; L96-M107 HydrophobicContact CG-SD 4.49Å; L96-V110 HydrophobicContact CD2-CG1 3.71Å; L96-V111 HydrophobicContact CD1-CG2 4.13Å; L96-V111 HydrophobicContact CD2-CG2 3.91Å
97	C	95.1	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	91.3	-175	-58.4	0	0	0	0	110.1	E77 C79 S84 N99 N100 I101	E77-C97 CarbonylContact O-C 3.49Å; E77-C97 WeakPolarHBondContact O-CA 3.42Å; C79-C97 HydrophobicContact CB-CB 3.52Å; C79-C97 WeakPolarHBondContact CB-SG 3.47Å; C79-C97 WeakPolarHBondContact SG-CA 3.46Å; C79-C97 WeakPolarHBondContact SG-CB 3.44Å; C79-C97 CovalentContact SG-SG 2.03Å; C79-C97 PolarHBondContact SG-SG 3.08Å; S84-C97 VanDerWaalsContact C-SG 3.59Å; S84-C97 WeakPolarHBondContact O-CB 3.39Å; S84-C97 PolarHBondContact O-N 2.97Å; C97-N99 PolarHBondContact O-N 3.3Å; C97-N100 HydrophobicContact CB-CB 4.26Å; C97-N100 PolarHBondContact O-N 2.92Å; C97-I101 WeakPolarHBondContact O-CG1 3.13Å; C97-I101 PolarHBondContact O-N 2.83Å; C97-I101 VanDerWaalsContact O-N 3.09Å
98	Q	93.5	Very high	94.4	Very high	23 Å²	23	40.2 Å²	40.2	11%	0.107	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.3	-170.2	70.2	-178.5	11.5	0	0	112.4	C40 E77 D78 L96 N100	C40-Q98 HydrophobicContact CB-CB 3.83Å; E77-Q98 PolarHBondContact O-N 3.32Å; D78-Q98 WeakPolarHBondContact OD1-CG 3.43Å; D78-Q98 PolarHBondContact OD1-NE2 3.06Å; L96-Q98 PolarHBondContact O-N 2.86Å; Q98-N100 VanDerWaalsContact C-N 3.26Å; Q98-N100 PolarHBondContact O-N 2.84Å
99	N	92.4	Very high	94.5	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.8	176.3	62.7	-46	0	0	0	113.4	C79 C97 H102	C79-N99 PolarHBondContact N-OD1 2.73Å; C79-N99 PolarHBondContact O-ND2 2.86Å; C97-N99 PolarHBondContact O-N 3.3Å; N99-H102 PolarHBondContact O-CE1 3.46Å; N99-H102 PolarHBondContact O-NE2 2.96Å
100	N	92.9	Very high	94.7	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.171	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-13.1	-178	-61.3	-26.7	0	0	0	113.1	D80 V83 C97 Q98 H106	D80-N100 PolarHBondContact O-ND2 2.82Å; V83-N100 PolarHBondContact O-ND2 3.48Å; C97-N100 HydrophobicContact CB-CB 4.26Å; C97-N100 PolarHBondContact O-N 2.92Å; Q98-N100 VanDerWaalsContact C-N 3.26Å; Q98-N100 PolarHBondContact O-N 2.84Å; N100-H106 PolarHBondContact O-ND1 2.74Å
101	I	93.8	Very high	95	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.191	C	C	.	.			trans	-102.3	100.5	178.5	-55.3	171.8	0	0	0	111.1	M43 S84 L96 C97 H106 M107 V110	M43-I101 HydrophobicContact CE-CG2 4.06Å; S84-I101 WeakPolarHBondContact O-CD1 3.49Å; L96-I101 HydrophobicContact CB-CD1 4.22Å; C97-I101 WeakPolarHBondContact O-CG1 3.13Å; C97-I101 PolarHBondContact O-N 2.83Å; C97-I101 VanDerWaalsContact O-N 3.09Å; I101-H106 HydrophobicContact CG2-CB 4.27Å; I101-M107 HydrophobicContact CB-CE 4.42Å; I101-M107 HydrophobicContact CD1-CE 3.97Å; I101-M107 HydrophobicContact CD1-SD 3.92Å; I101-M107 HydrophobicContact CG2-CB 3.75Å; I101-M107 HydrophobicContact CG2-CE 3.91Å; I101-M107 HydrophobicContact CG2-SD 4.28Å; I101-V110 HydrophobicContact CD1-CB 4.19Å; I101-V110 HydrophobicContact CD1-CG1 4.1Å; I101-V110 HydrophobicContact CD1-CG2 4.13Å; I101-V110 HydrophobicContact CG1-CG2 4.35Å
102	H	90.9	Very high	95.4	Very high	119 Å²	119	34.5 Å²	34.5	55%	0.551	18%	0.176	S	C	*	.			trans	-101.7	-19.5	-177.7	-55.6	-47.9	0	0	0	115.5	K39 N99	K39-H102 PolarHBondContact NZ-O 3.27Å; K39-H102 VanDerWaalsContact NZ-O 3.14Å; N99-H102 PolarHBondContact O-CE1 3.46Å; N99-H102 PolarHBondContact O-NE2 2.96Å
103	Q	94.4	Very high	95.6	Very high	128 Å²	128	32.7 Å²	32.7	60%	0.598	16%	0.162	S	C	*	.	S	Bend	trans	-126.3	145.5	-171.8	-59.7	-178.4	30.9	0	0	111.9	M43 S105 H106 M107	M43-Q103 VanDerWaalsContact CE-O 3.24Å; M43-Q103 WeakPolarHBondContact CE-O 3.41Å; Q103-S105 VanDerWaalsContact C-N 3.26Å; Q103-S105 PolarHBondContact O-N 3.32Å; Q103-H106 HydrophobicContact CB-CB 4.49Å; Q103-H106 WeakPolarHBondContact O-CA 3.29Å; Q103-H106 WeakPolarHBondContact O-CB 3.49Å; Q103-H106 PolarHBondContact O-N 3.25Å; Q103-M107 PolarHBondContact O-N 2.88Å
104	Q	96.2	Very high	95.8	Very high	52 Å²	52	30.4 Å²	30.4	24%	0.243	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-36	-178.2	-173.3	62.5	53.7	0	0	112.3	M43 F46 H106 M107 N108	M43-Q104 VanDerWaalsContact CA-OE1 3.24Å; M43-Q104 PolarHBondContact O-NE2 2.94Å; M43-Q104 PolarHBondContact O-OE1 3.42Å; F46-Q104 HydrophobicContact CD1-CG 3.67Å; F46-Q104 HydrophobicContact CE1-CG 4.05Å; Q104-H106 VanDerWaalsContact C-N 3.27Å; Q104-H106 PolarHBondContact O-N 3.46Å; Q104-M107 PolarHBondContact O-N 3.3Å; Q104-N108 PolarHBondContact NE2-OD1 3.29Å; Q104-N108 WeakPolarHBondContact O-CB 3.33Å; Q104-N108 PolarHBondContact O-N 3.21Å; Q104-N108 PolarHBondContact O-ND2 3.42Å; Q104-N108 PolarHBondContact O-OD1 2.8Å
105	S	94.4	Very high	95.8	Very high	60 Å²	60	30.3 Å²	30.3	42%	0.42	15%	0.151	S	C	.	.	H	α-helix	trans	-63.4	-33.1	174.9	57	0	0	0	0	112.5	Q103 R109	Q103-S105 VanDerWaalsContact C-N 3.26Å; Q103-S105 PolarHBondContact O-N 3.32Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 3.01Å; S105-R109 PolarHBondContact O-NE 2.82Å
106	H	94.9	Very high	95.9	Very high	47 Å²	47	30.3 Å²	30.3	22%	0.218	15%	0.151	C	C	.	.	H	α-helix	trans	-71.9	-47.9	173.7	-167.3	-163.8	0	0	0	110.7	S84 N100 I101 Q103 Q104 N108 R109 V110	S84-H106 PolarHBondContact OG-CE1 3.2Å; S84-H106 PolarHBondContact OG-NE2 3.39Å; N100-H106 PolarHBondContact O-ND1 2.74Å; I101-H106 HydrophobicContact CG2-CB 4.27Å; Q103-H106 HydrophobicContact CB-CB 4.49Å; Q103-H106 WeakPolarHBondContact O-CA 3.29Å; Q103-H106 WeakPolarHBondContact O-CB 3.49Å; Q103-H106 PolarHBondContact O-N 3.25Å; Q104-H106 VanDerWaalsContact C-N 3.27Å; Q104-H106 PolarHBondContact O-N 3.46Å; H106-N108 VanDerWaalsContact C-N 3.31Å; H106-N108 PolarHBondContact O-N 2.72Å; H106-R109 PolarHBondContact O-N 3.04Å; H106-R109 VanDerWaalsContact O-N 3.08Å; H106-V110 WeakPolarHBondContact O-CG2 3.38Å; H106-V110 PolarHBondContact O-N 3.02Å
107	M	97.1	Very high	96	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-46.2	175.6	-177.6	62.3	82.9	0	0	112.3	C40 M43 A47 L96 I101 Q103 Q104 R109 V110 V111	C40-M107 HydrophobicContact CB-CE 4.47Å; M43-M107 HydrophobicContact CB-CB 4.27Å; M43-M107 HydrophobicContact CB-CE 3.92Å; M43-M107 HydrophobicContact CB-CG 3.92Å; M43-M107 HydrophobicContact CE-CB 3.84Å; A47-M107 HydrophobicContact CB-CG 4.21Å; L96-M107 HydrophobicContact CD1-CE 4.3Å; L96-M107 HydrophobicContact CD1-SD 3.86Å; L96-M107 HydrophobicContact CD2-SD 4.23Å; L96-M107 HydrophobicContact CG-SD 4.49Å; I101-M107 HydrophobicContact CB-CE 4.42Å; I101-M107 HydrophobicContact CD1-CE 3.97Å; I101-M107 HydrophobicContact CD1-SD 3.92Å; I101-M107 HydrophobicContact CG2-CB 3.75Å; I101-M107 HydrophobicContact CG2-CE 3.91Å; I101-M107 HydrophobicContact CG2-SD 4.28Å; Q103-M107 PolarHBondContact O-N 2.88Å; Q104-M107 PolarHBondContact O-N 3.3Å; M107-R109 PolarHBondContact O-N 3.31Å; M107-V110 PolarHBondContact O-N 3.4Å; M107-V111 HydrophobicContact CG-CG2 4.09Å; M107-V111 WeakPolarHBondContact O-CB 3.38Å; M107-V111 WeakPolarHBondContact O-CG2 3.37Å; M107-V111 PolarHBondContact O-N 2.9Å; M107-V111 HydrophobicContact SD-CG2 3.71Å
108	N	97.4	Very high	96.1	Very high	36 Å²	36	31 Å²	31	19%	0.193	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-38.7	179.5	-69.3	-9.6	0	0	0	112.3	A47 Q104 H106 T112	A47-N108 WeakPolarHBondContact CA-OD1 3.35Å; A47-N108 VanDerWaalsContact CB-OD1 3.27Å; A47-N108 WeakPolarHBondContact CB-OD1 3.44Å; Q104-N108 PolarHBondContact NE2-OD1 3.29Å; Q104-N108 WeakPolarHBondContact O-CB 3.33Å; Q104-N108 PolarHBondContact O-N 3.21Å; Q104-N108 PolarHBondContact O-ND2 3.42Å; Q104-N108 PolarHBondContact O-OD1 2.8Å; H106-N108 VanDerWaalsContact C-N 3.31Å; H106-N108 PolarHBondContact O-N 2.72Å; N108-T112 WeakPolarHBondContact O-CB 3.35Å; N108-T112 PolarHBondContact O-N 3.21Å; N108-T112 VanDerWaalsContact O-N 3.16Å; N108-T112 PolarHBondContact O-OG1 3.07Å
109	R	96	Very high	96.4	Very high	46 Å²	46	30.4 Å²	30.4	17%	0.174	15%	0.152	C	C	.	.	H	α-helix	trans	-72.5	-48.1	179.1	-72.5	176.1	-69.1	157.7	3.6	111.3	S105 H106 M107 T112 H113 N153	S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 3.01Å; S105-R109 PolarHBondContact O-NE 2.82Å; H106-R109 PolarHBondContact O-N 3.04Å; H106-R109 VanDerWaalsContact O-N 3.08Å; M107-R109 PolarHBondContact O-N 3.31Å; R109-T112 PolarHBondContact O-N 3.45Å; R109-H113 WeakPolarHBondContact O-CB 3.34Å; R109-H113 PolarHBondContact O-N 2.03Å; R109-N153 VanDerWaalsContact CD-ND2 3.33Å; R109-N153 WeakPolarHBondContact CD-ND2 3.41Å; R109-N153 PolarHBondContact NH1-ND2 3.06Å
110	V	97.4	Very high	96.6	Very high	10 Å²	10	28 Å²	28	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-58.8	-52.7	177.5	177.4	0	0	0	0	110.3	L96 I101 H106 M107 T112 H113 E114	L96-V110 HydrophobicContact CD2-CG1 3.71Å; I101-V110 HydrophobicContact CD1-CB 4.19Å; I101-V110 HydrophobicContact CD1-CG1 4.1Å; I101-V110 HydrophobicContact CD1-CG2 4.13Å; I101-V110 HydrophobicContact CG1-CG2 4.35Å; H106-V110 WeakPolarHBondContact O-CG2 3.38Å; H106-V110 PolarHBondContact O-N 3.02Å; M107-V110 PolarHBondContact O-N 3.4Å; V110-T112 PolarHBondContact O-N 3.4Å; V110-H113 WeakPolarHBondContact O-CB 3.28Å; V110-H113 PolarHBondContact O-N 2.97Å; V110-E114 HydrophobicContact CG1-CG 4.12Å; V110-E114 WeakPolarHBondContact O-CG 3.39Å; V110-E114 PolarHBondContact O-N 3.48Å
111	V	98.4	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.4	-40.4	178	169	0	0	0	0	111.7	L44 A47 A54 F74 L96 M107 L115	L44-V111 HydrophobicContact CD1-CG1 4.38Å; L44-V111 HydrophobicContact CD1-CG2 3.74Å; A47-V111 HydrophobicContact CB-CB 4.44Å; A47-V111 HydrophobicContact CB-CG1 4.48Å; A47-V111 HydrophobicContact CB-CG2 4.3Å; A54-V111 HydrophobicContact CB-CG1 4.44Å; F74-V111 HydrophobicContact CE1-CG1 4.12Å; F74-V111 HydrophobicContact CE1-CG2 4.48Å; F74-V111 HydrophobicContact CZ-CG1 4.35Å; L96-V111 HydrophobicContact CD1-CG2 4.13Å; L96-V111 HydrophobicContact CD2-CG2 3.91Å; M107-V111 HydrophobicContact CG-CG2 4.09Å; M107-V111 WeakPolarHBondContact O-CB 3.38Å; M107-V111 WeakPolarHBondContact O-CG2 3.37Å; M107-V111 PolarHBondContact O-N 2.9Å; M107-V111 HydrophobicContact SD-CG2 3.71Å; V111-L115 HydrophobicContact CG1-CD1 3.76Å; V111-L115 HydrophobicContact CG1-CG 4.36Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 WeakPolarHBondContact O-CD1 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.32Å; V111-L115 PolarHBondContact O-N 2.9Å
112	T	98.4	Very high	97	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-67.8	-43.8	177.6	-56.8	0	0	0	0	111.6	Y53 L57 N108 R109 V110 L115 I116 F207	Y53-T112 WeakPolarHBondContact CB-OG1 3.02Å; Y53-T112 HydrophobicContact CD1-CG2 3.92Å; Y53-T112 HydrophobicContact CG-CG2 4.11Å; L57-T112 HydrophobicContact CD1-CG2 3.78Å; N108-T112 WeakPolarHBondContact O-CB 3.35Å; N108-T112 PolarHBondContact O-N 3.21Å; N108-T112 VanDerWaalsContact O-N 3.16Å; N108-T112 PolarHBondContact O-OG1 3.07Å; R109-T112 PolarHBondContact O-N 3.45Å; V110-T112 PolarHBondContact O-N 3.4Å; T112-L115 PolarHBondContact O-N 3.45Å; T112-I116 HydrophobicContact CG2-CD1 4.1Å; T112-I116 WeakPolarHBondContact O-CD1 3.29Å; T112-I116 VanDerWaalsContact O-CG1 3.28Å; T112-I116 WeakPolarHBondContact O-CG1 3.06Å; T112-I116 PolarHBondContact O-N 3.26Å; T112-F207 HydrophobicContact CG2-CZ 4.49Å
113	H	98.3	Very high	97.2	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.046	14%	0.138	C	C	.	.	H	α-helix	trans	-57.2	-53.8	177.4	-169.6	104.9	0	0	0	110.8	R109 V110 L115 I116 H117 E139 A142 D148	R109-H113 WeakPolarHBondContact O-CB 3.34Å; R109-H113 PolarHBondContact O-N 2.03Å; V110-H113 WeakPolarHBondContact O-CB 3.28Å; V110-H113 PolarHBondContact O-N 2.97Å; H113-L115 VanDerWaalsContact C-N 3.34Å; H113-L115 PolarHBondContact O-N 3.41Å; H113-I116 WeakPolarHBondContact O-CB 3.09Å; H113-I116 PolarHBondContact O-N 2.88Å; H113-H117 AromaticContact CD2-CD2 3.75Å; H113-H117 AromaticContact CD2-NE2 3.39Å; H113-H117 PolarHBondContact CD2-NE2 3.3Å; H113-H117 AromaticContact NE2-NE2 3.21Å; H113-H117 PolarHBondContact NE2-NE2 2.93Å; H113-H117 PolarHBondContact O-N 3.07Å; H113-E139 IonicContact NE2-OE2 3.82Å; H113-A142 VanDerWaalsContact CE1-CB 3.4Å; H113-A142 WeakPolarHBondContact CE1-CB 3.42Å; H113-D148 IonicContact CE1-OD2 3.65Å; H113-D148 IonicContact CG-OD2 3.67Å; H113-D148 IonicContact ND1-OD2 3.14Å; H113-D148 PolarHBondContact ND1-OD2 3.41Å
114	E	98.4	Very high	97.2	Very high	13 Å²	13	24.8 Å²	24.8	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-68.7	-31.9	-179.1	-54.4	-45.9	142.8	0	0	112.8	G86 F87 I94 V110 I116 H117 A118	G86-E114 VanDerWaalsContact CA-CD 3.5Å; G86-E114 WeakPolarHBondContact CA-OE2 3.48Å; F87-E114 PolarHBondContact N-OE2 2.88Å; I94-E114 HydrophobicContact CB-CB 4.23Å; I94-E114 HydrophobicContact CD1-CB 4.02Å; I94-E114 HydrophobicContact CG1-CB 3.9Å; I94-E114 HydrophobicContact CG2-CB 3.41Å; I94-E114 VanDerWaalsContact CG2-CB 3.41Å; I94-E114 HydrophobicContact CG2-CG 3.81Å; V110-E114 HydrophobicContact CG1-CG 4.12Å; V110-E114 WeakPolarHBondContact O-CG 3.39Å; V110-E114 PolarHBondContact O-N 3.48Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 PolarHBondContact O-N 3.45Å; E114-H117 WeakPolarHBondContact O-CB 3.21Å; E114-H117 PolarHBondContact O-N 2.9Å; E114-H117 IonicContact OE2-CD2 3.23Å; E114-H117 PolarHBondContact OE2-CD2 3.42Å; E114-A118 PolarHBondContact O-N 2.92Å
115	L	98.6	Very high	97.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.8	-29.5	171.6	-80.7	171.9	0	0	0	112.7	A54 L57 L58 M61 V68 F74 I94 V111 T112 H113 A118 F119	A54-L115 HydrophobicContact CB-CD1 4.09Å; L57-L115 HydrophobicContact CB-CB 4.18Å; L57-L115 HydrophobicContact CB-CD1 4.34Å; L57-L115 HydrophobicContact CD1-CB 3.71Å; L57-L115 HydrophobicContact CG-CB 4.48Å; L58-L115 HydrophobicContact CD2-CD1 4.3Å; L58-L115 HydrophobicContact CD2-CD2 3.93Å; L58-L115 HydrophobicContact CG-CD1 4.28Å; M61-L115 HydrophobicContact SD-CD2 4.01Å; V68-L115 HydrophobicContact CG1-CD2 4.3Å; V68-L115 HydrophobicContact CG2-CD2 4.43Å; F74-L115 HydrophobicContact CZ-CD1 4.44Å; F74-L115 HydrophobicContact CZ-CD2 3.93Å; F74-L115 HydrophobicContact CZ-CG 4.14Å; I94-L115 HydrophobicContact CD1-CD2 3.79Å; I94-L115 HydrophobicContact CD1-CG 3.98Å; V111-L115 HydrophobicContact CG1-CD1 3.76Å; V111-L115 HydrophobicContact CG1-CG 4.36Å; V111-L115 WeakPolarHBondContact O-CB 3.4Å; V111-L115 WeakPolarHBondContact O-CD1 3.25Å; V111-L115 WeakPolarHBondContact O-CG 3.32Å; V111-L115 PolarHBondContact O-N 2.9Å; T112-L115 PolarHBondContact O-N 3.45Å; H113-L115 VanDerWaalsContact C-N 3.34Å; H113-L115 PolarHBondContact O-N 3.41Å; L115-A118 PolarHBondContact O-N 3.37Å; L115-F119 VanDerWaalsContact O-CB 3.25Å; L115-F119 WeakPolarHBondContact O-CB 3.34Å; L115-F119 PolarHBondContact O-N 2.71Å
116	I	98.6	Very high	97.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-43.7	173.4	-69.1	156.1	0	0	0	109.7	L57 T112 H113 E114 A118 F119 D120 R141 A142 L145 F207	L57-I116 HydrophobicContact CD1-CG1 3.88Å; L57-I116 HydrophobicContact CD2-CG1 4.08Å; T112-I116 HydrophobicContact CG2-CD1 4.1Å; T112-I116 WeakPolarHBondContact O-CD1 3.29Å; T112-I116 VanDerWaalsContact O-CG1 3.28Å; T112-I116 WeakPolarHBondContact O-CG1 3.06Å; T112-I116 PolarHBondContact O-N 3.26Å; H113-I116 WeakPolarHBondContact O-CB 3.09Å; H113-I116 PolarHBondContact O-N 2.88Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 PolarHBondContact O-N 3.45Å; I116-A118 PolarHBondContact O-N 2.9Å; I116-F119 PolarHBondContact O-N 3.11Å; I116-D120 WeakPolarHBondContact O-CB 3.49Å; I116-D120 PolarHBondContact O-N 3.16Å; I116-R141 HydrophobicContact CG2-CB 4.07Å; I116-A142 HydrophobicContact CB-CB 4.31Å; I116-A142 HydrophobicContact CG2-CB 4.15Å; I116-L145 HydrophobicContact CD1-CB 3.69Å; I116-F207 HydrophobicContact CG1-CE2 4.45Å
117	H	98.4	Very high	97.2	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.032	14%	0.14	C	C	.	.	H	α-helix	trans	-58	-47.2	172.1	-68.2	-42	0	0	0	112.1	F87 H113 E114 F119 D120 H121 W128 S138 E139	F87-H117 HydrophobicContact CB-CB 3.68Å; F87-H117 HydrophobicContact CD1-CB 4Å; F87-H117 HydrophobicContact CG-CB 3.95Å; H113-H117 AromaticContact CD2-CD2 3.75Å; H113-H117 AromaticContact CD2-NE2 3.39Å; H113-H117 PolarHBondContact CD2-NE2 3.3Å; H113-H117 AromaticContact NE2-NE2 3.21Å; H113-H117 PolarHBondContact NE2-NE2 2.93Å; H113-H117 PolarHBondContact O-N 3.07Å; E114-H117 WeakPolarHBondContact O-CB 3.21Å; E114-H117 PolarHBondContact O-N 2.9Å; E114-H117 IonicContact OE2-CD2 3.23Å; E114-H117 PolarHBondContact OE2-CD2 3.42Å; H117-F119 VanDerWaalsContact C-N 3.33Å; H117-F119 PolarHBondContact O-N 2.83Å; H117-D120 PolarHBondContact O-N 2.86Å; H117-H121 WeakPolarHBondContact O-CB 3.47Å; H117-H121 PolarHBondContact O-N 3Å; H117-W128 HydrophobicContact CB-CH2 3.63Å; H117-W128 HydrophobicContact CB-CZ2 4.26Å; H117-W128 HydrophobicContact CB-CZ3 4.46Å; H117-W128 AromaticContact CG-CH2 3.84Å; H117-W128 AromaticContact ND1-CH2 3.61Å; H117-W128 AromaticContact ND1-CZ3 3.92Å; H117-W128 WeakPolarHBondContact O-CZ2 3.24Å; H117-S138 PolarHBondContact ND1-OG 3.23Å; H117-E139 IonicContact CE1-OE1 3.86Å; H117-E139 IonicContact CE1-OE2 2.63Å; H117-E139 IonicContact NE2-OE1 3.98Å; H117-E139 IonicContact NE2-OE2 2.68Å
118	A	98.3	Very high	97.1	Very high	8 Å²	8	28.7 Å²	28.7	7%	0.066	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-39.3	177.3	0	0	0	0	0	112.5	M61 F87 I94 E114 L115 I116 C122	M61-A118 HydrophobicContact CE-CB 3.65Å; M61-A118 HydrophobicContact SD-CB 4.27Å; F87-A118 HydrophobicContact CD2-CB 3.83Å; F87-A118 HydrophobicContact CE2-CB 3.62Å; F87-A118 HydrophobicContact CZ-CB 4.23Å; I94-A118 HydrophobicContact CD1-CB 4.27Å; E114-A118 PolarHBondContact O-N 2.92Å; L115-A118 PolarHBondContact O-N 3.37Å; I116-A118 PolarHBondContact O-N 2.9Å; A118-C122 WeakPolarHBondContact O-CB 3.27Å; A118-C122 PolarHBondContact O-N 3.08Å
119	F	98.4	Very high	96.7	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.044	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-41.3	175.8	176.8	-112.6	0	0	0	112.2	L57 A60 M61 L115 I116 H117 C122 R123 A205 P206	L57-F119 HydrophobicContact CD2-CB 4.24Å; L57-F119 HydrophobicContact CD2-CD1 4.47Å; L57-F119 HydrophobicContact CD2-CG 4.37Å; A60-F119 HydrophobicContact CB-CD2 4.32Å; A60-F119 HydrophobicContact CB-CE2 3.84Å; A60-F119 HydrophobicContact CB-CZ 4.4Å; M61-F119 HydrophobicContact CG-CB 4.03Å; M61-F119 HydrophobicContact CG-CD2 3.77Å; M61-F119 HydrophobicContact CG-CG 4.38Å; M61-F119 HydrophobicContact SD-CB 4.23Å; L115-F119 VanDerWaalsContact O-CB 3.25Å; L115-F119 WeakPolarHBondContact O-CB 3.34Å; L115-F119 PolarHBondContact O-N 2.71Å; I116-F119 PolarHBondContact O-N 3.11Å; H117-F119 VanDerWaalsContact C-N 3.33Å; H117-F119 PolarHBondContact O-N 2.83Å; F119-C122 PolarHBondContact O-N 3.2Å; F119-R123 HydrophobicContact CE1-CG 4.45Å; F119-R123 HydrophobicContact CE2-CB 4.48Å; F119-R123 HydrophobicContact CZ-CG 4.47Å; F119-R123 PolarHBondContact O-N 2.89Å; F119-A205 HydrophobicContact CE1-CB 4.24Å; F119-P206 HydrophobicContact CD1-CG 3.99Å; F119-P206 HydrophobicContact CD2-CG 4.4Å; F119-P206 HydrophobicContact CE1-CB 4.13Å; F119-P206 VanDerWaalsContact CE1-CD 3.42Å; F119-P206 HydrophobicContact CE1-CG 3.5Å; F119-P206 HydrophobicContact CE2-CB 4.47Å; F119-P206 HydrophobicContact CE2-CG 4Å; F119-P206 HydrophobicContact CG-CG 4.4Å; F119-P206 HydrophobicContact CZ-CB 3.83Å; F119-P206 HydrophobicContact CZ-CG 3.52Å
120	D	98.4	Very high	96.4	Very high	3 Å²	3	33 Å²	33	2%	0.016	17%	0.168	C	C	.	.	H	α-helix	trans	-65.9	-43.3	176.7	-70.3	-13.2	0	0	0	111.1	I116 H117 C122 R123 A124 V126 S138 R141	I116-D120 WeakPolarHBondContact O-CB 3.49Å; I116-D120 PolarHBondContact O-N 3.16Å; H117-D120 PolarHBondContact O-N 2.86Å; D120-C122 VanDerWaalsContact C-N 3.29Å; D120-C122 PolarHBondContact O-N 3.48Å; D120-R123 PolarHBondContact O-N 2.82Å; D120-R123 IonicContact OD1-NE 3.9Å; D120-A124 WeakPolarHBondContact O-CA 3.44Å; D120-A124 WeakPolarHBondContact O-CB 3.48Å; D120-A124 PolarHBondContact O-N 2.94Å; D120-V126 HydrophobicContact CB-CG2 3.8Å; D120-S138 PolarHBondContact OD2-OG 3.31Å; D120-R141 IonicContact OD1-CZ 2.72Å; D120-R141 IonicContact OD1-NE 3.67Å; D120-R141 PolarHBondContact OD1-NE 2.83Å; D120-R141 IonicContact OD1-NH2 2.61Å; D120-R141 PolarHBondContact OD1-NH2 2.93Å; D120-R141 WeakPolarHBondContact OD2-CD 3.24Å; D120-R141 IonicContact OD2-CZ 3.94Å; D120-R141 IonicContact OD2-NE 3.37Å; D120-R141 PolarHBondContact OD2-NE 2.83Å
121	H	97.5	Very high	96.2	Very high	54 Å²	54	34.8 Å²	34.8	25%	0.25	18%	0.177	C	C	.	.	H	α-helix	trans	-55.3	-46.7	172.9	-175.1	59.2	0	0	0	111.6	F87 H117 H125 W128	F87-H121 HydrophobicContact CE1-CB 3.63Å; F87-H121 AromaticContact CE1-CG 3.79Å; F87-H121 HydrophobicContact CZ-CB 3.86Å; F87-H121 AromaticContact CZ-CD2 3.77Å; F87-H121 AromaticContact CZ-CG 3.91Å; H117-H121 WeakPolarHBondContact O-CB 3.47Å; H117-H121 PolarHBondContact O-N 3Å; H121-H125 WeakPolarHBondContact O-CA 3.39Å; H121-H125 PolarHBondContact O-N 2.92Å; H121-W128 HydrophobicContact CB-CZ2 3.93Å; H121-W128 AromaticContact CE1-NE1 3.86Å; H121-W128 AromaticContact CG-NE1 3.56Å; H121-W128 AromaticContact ND1-CD1 3.62Å; H121-W128 AromaticContact ND1-NE1 2.97Å; H121-W128 PolarHBondContact ND1-NE1 3.26Å
122	C	96.1	Very high	95.9	Very high	19 Å²	19	38.1 Å²	38.1	13%	0.128	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-51.2	179.2	169	0	0	0	0	113	C66 A118 F119 D120	C66-C122 HydrophobicContact CB-CB 3.61Å; C66-C122 WeakPolarHBondContact CB-SG 3.33Å; C66-C122 WeakPolarHBondContact SG-CB 3.42Å; C66-C122 CovalentContact SG-SG 2.02Å; C66-C122 PolarHBondContact SG-SG 3.33Å; A118-C122 WeakPolarHBondContact O-CB 3.27Å; A118-C122 PolarHBondContact O-N 3.08Å; F119-C122 PolarHBondContact O-N 3.2Å; D120-C122 VanDerWaalsContact C-N 3.29Å; D120-C122 PolarHBondContact O-N 3.48Å
123	R	95.9	Very high	95.8	Very high	90 Å²	90	42.1 Å²	42.1	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-88.5	-29.7	-167.8	90.5	-172.9	-179.6	99	7.4	114.1	F119 D120 R141 D203	F119-R123 HydrophobicContact CE1-CG 4.45Å; F119-R123 HydrophobicContact CE2-CB 4.48Å; F119-R123 HydrophobicContact CZ-CG 4.47Å; F119-R123 PolarHBondContact O-N 2.89Å; D120-R123 PolarHBondContact O-N 2.82Å; D120-R123 IonicContact OD1-NE 3.9Å; R123-R141 VanDerWaalsContact NH2-NH1 3.16Å; R123-D203 IonicContact CZ-OD1 3.56Å; R123-D203 IonicContact CZ-OD2 3.1Å; R123-D203 IonicContact NH1-OD2 2.94Å; R123-D203 IonicContact NH2-OD1 3.82Å; R123-D203 PolarHBondContact NH2-OD1 3.22Å; R123-D203 IonicContact NH2-OD2 3.82Å; R123-D203 PolarHBondContact NH2-OD2 3.49Å
124	A	94.9	Very high	95.8	Very high	52 Å²	52	45.2 Å²	45.2	43%	0.43	22%	0.223	S	C	.	.	H	α-helix	trans	-116.8	1.1	-169.4	0	0	0	0	0	112.2	D120 V126	D120-A124 WeakPolarHBondContact O-CA 3.44Å; D120-A124 WeakPolarHBondContact O-CB 3.48Å; D120-A124 PolarHBondContact O-N 2.94Å; A124-V126 HydrophobicContact CB-CG2 4.39Å; A124-V126 PolarHBondContact O-N 3.42Å
125	H	94.6	Very high	95.7	Very high	151 Å²	151	44.8 Å²	44.8	70%	0.699	22%	0.221	S	C	*	.			trans	49.4	48.9	179.9	-55.9	-60.3	0	0	0	111.7	H121 D127	H121-H125 WeakPolarHBondContact O-CA 3.39Å; H121-H125 PolarHBondContact O-N 2.92Å; H125-D127 PolarHBondContact O-N 3.34Å
126	V	96.1	Very high	95.7	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.097	22%	0.221	C	C	.	.			trans	-52.4	127.8	-179.9	175.6	0	0	0	0	109.4	D120 A124 W128 H134	D120-V126 HydrophobicContact CB-CG2 3.8Å; A124-V126 HydrophobicContact CB-CG2 4.39Å; A124-V126 PolarHBondContact O-N 3.42Å; V126-W128 HydrophobicContact CB-CD2 4.34Å; V126-W128 HydrophobicContact CB-CZ2 3.91Å; V126-W128 HydrophobicContact CG1-CD2 3.56Å; V126-W128 VanDerWaalsContact CG1-CE2 3.46Å; V126-W128 HydrophobicContact CG1-CE3 3.9Å; V126-W128 HydrophobicContact CG1-CG 4.05Å; V126-W128 HydrophobicContact CG1-CH2 4.01Å; V126-W128 HydrophobicContact CG1-CZ2 3.7Å; V126-W128 HydrophobicContact CG1-CZ3 4.12Å; V126-W128 HydrophobicContact CG2-CZ2 4.39Å; V126-W128 VanDerWaalsContact O-CD1 3.22Å; V126-W128 PolarHBondContact O-N 2.92Å; V126-H134 HydrophobicContact CG1-CB 3.95Å
127	D	94.7	Very high	95.7	Very high	54 Å²	54	46.2 Å²	46.2	29%	0.289	23%	0.231	S	C	.	.			trans	-93.9	92	174.6	176.9	0.7	0	0	0	106.9	H125 F129 N130 N131 H134	H125-D127 PolarHBondContact O-N 3.34Å; D127-F129 VanDerWaalsContact C-N 3.28Å; D127-F129 PolarHBondContact O-N 3.13Å; D127-F129 PolarHBondContact OD1-N 3.01Å; D127-N130 PolarHBondContact OD1-N 3.26Å; D127-N130 PolarHBondContact OD1-ND2 2.91Å; D127-N130 VanDerWaalsContact OD1-ND2 3.16Å; D127-N130 WeakPolarHBondContact OD2-CB 3.46Å; D127-N131 HydrophobicContact CB-CB 3.85Å; D127-H134 PolarHBondContact N-ND1 3.03Å
128	W	93.7	Very high	95.7	Very high	21 Å²	21	45.9 Å²	45.9	8%	0.08	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.6	-173.7	-61.5	96.7	0	0	0	112.2	F87 A89 H117 H121 V126 L135 S138 R182	F87-W128 HydrophobicContact CD1-CH2 4.24Å; F87-W128 AromaticContact CD1-CZ2 3.79Å; F87-W128 HydrophobicContact CD1-CZ2 3.79Å; F87-W128 AromaticContact CE1-CE2 3.97Å; F87-W128 AromaticContact CE1-CZ2 3.87Å; F87-W128 HydrophobicContact CE1-CZ2 3.87Å; F87-W128 AromaticContact CE1-NE1 3.92Å; A89-W128 HydrophobicContact CB-CB 4.48Å; A89-W128 HydrophobicContact CB-CD2 4.49Å; A89-W128 HydrophobicContact CB-CG 3.83Å; H117-W128 HydrophobicContact CB-CH2 3.63Å; H117-W128 HydrophobicContact CB-CZ2 4.26Å; H117-W128 HydrophobicContact CB-CZ3 4.46Å; H117-W128 AromaticContact CG-CH2 3.84Å; H117-W128 AromaticContact ND1-CH2 3.61Å; H117-W128 AromaticContact ND1-CZ3 3.92Å; H117-W128 WeakPolarHBondContact O-CZ2 3.24Å; H121-W128 HydrophobicContact CB-CZ2 3.93Å; H121-W128 AromaticContact CE1-NE1 3.86Å; H121-W128 AromaticContact CG-NE1 3.56Å; H121-W128 AromaticContact ND1-CD1 3.62Å; H121-W128 AromaticContact ND1-NE1 2.97Å; H121-W128 PolarHBondContact ND1-NE1 3.26Å; V126-W128 HydrophobicContact CB-CD2 4.34Å; V126-W128 HydrophobicContact CB-CZ2 3.91Å; V126-W128 HydrophobicContact CG1-CD2 3.56Å; V126-W128 VanDerWaalsContact CG1-CE2 3.46Å; V126-W128 HydrophobicContact CG1-CE3 3.9Å; V126-W128 HydrophobicContact CG1-CG 4.05Å; V126-W128 HydrophobicContact CG1-CH2 4.01Å; V126-W128 HydrophobicContact CG1-CZ2 3.7Å; V126-W128 HydrophobicContact CG1-CZ3 4.12Å; V126-W128 HydrophobicContact CG2-CZ2 4.39Å; V126-W128 VanDerWaalsContact O-CD1 3.22Å; V126-W128 PolarHBondContact O-N 2.92Å; W128-L135 HydrophobicContact CE3-CD1 3.91Å; W128-L135 HydrophobicContact CZ3-CD1 4.14Å; W128-S138 WeakPolarHBondContact CH2-OG 3.31Å; W128-R182 PolarHBondContact O-NH2 3.36Å
129	F	89	Confident	95.7	Very high	54 Å²	54	46.2 Å²	46.2	24%	0.237	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-43.6	-165.9	-57.5	-71.6	0	0	0	112.1	Y11 Y13 A89 D127	Y11-F129 AromaticContact CD1-CD1 3.67Å; Y11-F129 HydrophobicContact CD1-CD1 3.67Å; Y11-F129 HydrophobicContact CD1-CE1 4.38Å; Y11-F129 AromaticContact CD2-CD1 3.67Å; Y11-F129 HydrophobicContact CD2-CD1 3.67Å; Y11-F129 AromaticContact CD2-CE1 3.87Å; Y11-F129 HydrophobicContact CD2-CE1 3.87Å; Y11-F129 HydrophobicContact CE1-CB 3.99Å; Y11-F129 AromaticContact CE1-CD1 3.67Å; Y11-F129 HydrophobicContact CE1-CD1 3.67Å; Y11-F129 HydrophobicContact CE1-CG 4.32Å; Y11-F129 AromaticContact CE2-CD1 3.64Å; Y11-F129 HydrophobicContact CE2-CD1 3.64Å; Y11-F129 HydrophobicContact CE2-CE1 4.19Å; Y11-F129 HydrophobicContact CE2-CG 4.45Å; Y11-F129 AromaticContact CG-CD1 3.65Å; Y11-F129 HydrophobicContact CG-CD1 3.65Å; Y11-F129 AromaticContact CG-CE1 3.93Å; Y11-F129 HydrophobicContact CG-CE1 3.93Å; Y11-F129 AromaticContact CZ-CD1 3.63Å; Y13-F129 HydrophobicContact CE2-CE1 4.35Å; A89-F129 HydrophobicContact CB-CE2 4.43Å; D127-F129 VanDerWaalsContact C-N 3.28Å; D127-F129 PolarHBondContact O-N 3.13Å; D127-F129 PolarHBondContact OD1-N 3.01Å
130	N	89.4	Confident	95.7	Very high	119 Å²	119	45.7 Å²	45.7	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-9.8	-170.6	-44	-77.9	0	0	0	113.3	D127	D127-N130 PolarHBondContact OD1-N 3.26Å; D127-N130 PolarHBondContact OD1-ND2 2.91Å; D127-N130 VanDerWaalsContact OD1-ND2 3.16Å; D127-N130 WeakPolarHBondContact OD2-CB 3.46Å
131	N	93.3	Very high	95.7	Very high	48 Å²	48	45.8 Å²	45.8	26%	0.257	23%	0.228	S	C	.	.			trans	-125	96.2	-176.2	-166.6	-28	0	0	0	112.7	D127 K133 H134 L135	D127-N131 HydrophobicContact CB-CB 3.85Å; N131-K133 PolarHBondContact O-N 3.38Å; N131-K133 WeakPolarHBondContact OD1-CB 3.37Å; N131-K133 PolarHBondContact OD1-N 2.8Å; N131-K133 VanDerWaalsContact OD1-N 3.1Å; N131-H134 HydrophobicContact CB-CB 4.03Å; N131-H134 VanDerWaalsContact CG-CD2 3.46Å; N131-H134 PolarHBondContact ND2-CD2 3.33Å; N131-H134 PolarHBondContact ND2-NE2 3.28Å; N131-H134 WeakPolarHBondContact O-CB 3.46Å; N131-H134 PolarHBondContact O-N 3.42Å; N131-H134 PolarHBondContact OD1-N 2.98Å; N131-L135 PolarHBondContact O-N 2.94Å; N131-L135 VanDerWaalsContact O-N 3.17Å
132	F	92.6	Very high	95.7	Very high	69 Å²	69	43.2 Å²	43.2	30%	0.303	22%	0.216	S	C	.	.	H	α-helix	trans	-57.9	-31.7	178.9	-81	-100.7	0	0	0	113.7	A136 R182 V184 V192	F132-A136 VanDerWaalsContact O-CB 3.31Å; F132-A136 WeakPolarHBondContact O-CB 3.44Å; F132-A136 PolarHBondContact O-N 3.23Å; F132-R182 HydrophobicContact CE1-CB 3.89Å; F132-R182 HydrophobicContact CE1-CG 3.78Å; F132-R182 HydrophobicContact CZ-CB 4.42Å; F132-R182 HydrophobicContact CZ-CG 4.23Å; F132-V184 HydrophobicContact CD1-CG1 4.17Å; F132-V184 HydrophobicContact CE1-CB 4.45Å; F132-V184 HydrophobicContact CE1-CG1 3.3Å; F132-V184 HydrophobicContact CE1-CG2 4.38Å; F132-V184 HydrophobicContact CZ-CG1 3.76Å; F132-V192 HydrophobicContact CB-CG1 4.21Å; F132-V192 HydrophobicContact CB-CG2 4.46Å
133	K	97.1	Very high	95.8	Very high	85 Å²	85	42.3 Å²	42.3	37%	0.37	21%	0.209	S	C	.	.	H	α-helix	trans	-68.6	-37.8	176.8	-66.7	178	-176.1	-174.3	0	111.3	N131 C137 V192 E195 V196	N131-K133 PolarHBondContact O-N 3.38Å; N131-K133 WeakPolarHBondContact OD1-CB 3.37Å; N131-K133 PolarHBondContact OD1-N 2.8Å; N131-K133 VanDerWaalsContact OD1-N 3.1Å; K133-C137 WeakPolarHBondContact O-CB 3.48Å; K133-C137 PolarHBondContact O-N 3.05Å; K133-V192 HydrophobicContact CG-CG1 4.1Å; K133-E195 VanDerWaalsContact CE-OE1 3.26Å; K133-E195 WeakPolarHBondContact CE-OE1 3.44Å; K133-E195 WeakPolarHBondContact CE-OE2 3.34Å; K133-E195 IonicContact NZ-OE1 3.85Å; K133-E195 PolarHBondContact NZ-OE1 3.14Å; K133-E195 IonicContact NZ-OE2 3.12Å; K133-E195 PolarHBondContact NZ-OE2 3Å; K133-V196 HydrophobicContact CB-CG1 3.73Å; K133-V196 HydrophobicContact CD-CG1 4.35Å; K133-V196 HydrophobicContact CG-CG1 3.91Å
134	H	97.6	Very high	95.9	Very high	75 Å²	75	38 Å²	38	35%	0.347	19%	0.194	S	C	.	.	H	α-helix	trans	-66.9	-46	177.1	-75.2	-157.1	0	0	0	110.8	V126 D127 N131 C137 S138	V126-H134 HydrophobicContact CG1-CB 3.95Å; D127-H134 PolarHBondContact N-ND1 3.03Å; N131-H134 HydrophobicContact CB-CB 4.03Å; N131-H134 VanDerWaalsContact CG-CD2 3.46Å; N131-H134 PolarHBondContact ND2-CD2 3.33Å; N131-H134 PolarHBondContact ND2-NE2 3.28Å; N131-H134 WeakPolarHBondContact O-CB 3.46Å; N131-H134 PolarHBondContact O-N 3.42Å; N131-H134 PolarHBondContact OD1-N 2.98Å; H134-C137 PolarHBondContact O-N 3.34Å; H134-S138 PolarHBondContact O-N 2.75Å; H134-S138 VanDerWaalsContact O-N 3.08Å
135	L	96.8	Very high	96	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-55.1	173	176.1	63.1	0	0	0	111	W128 N131 C137 S138 E139 I178 V181 R182	W128-L135 HydrophobicContact CE3-CD1 3.91Å; W128-L135 HydrophobicContact CZ3-CD1 4.14Å; N131-L135 PolarHBondContact O-N 2.94Å; N131-L135 VanDerWaalsContact O-N 3.17Å; L135-C137 VanDerWaalsContact C-N 3.27Å; L135-C137 PolarHBondContact O-N 2.86Å; L135-S138 PolarHBondContact O-N 3.41Å; L135-S138 VanDerWaalsContact O-N 3.12Å; L135-E139 HydrophobicContact CD1-CG 4.27Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 3.11Å; L135-I178 HydrophobicContact CD2-CG1 4.48Å; L135-I178 HydrophobicContact CG-CG1 4.46Å; L135-V181 HydrophobicContact CD2-CG2 4.18Å; L135-R182 HydrophobicContact CD2-CG 3.73Å
136	A	98.1	Very high	96.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-39	-179.6	0	0	0	0	0	112.6	F132 E139 I140 I178 V192 V193 V196	F132-A136 VanDerWaalsContact O-CB 3.31Å; F132-A136 WeakPolarHBondContact O-CB 3.44Å; F132-A136 PolarHBondContact O-N 3.23Å; A136-E139 PolarHBondContact O-N 3Å; A136-I140 WeakPolarHBondContact O-CB 3.37Å; A136-I140 WeakPolarHBondContact O-CD1 3.2Å; A136-I140 WeakPolarHBondContact O-CG1 3.03Å; A136-I140 PolarHBondContact O-N 3.21Å; A136-I178 HydrophobicContact CB-CD1 3.64Å; A136-V192 HydrophobicContact CB-CG1 3.71Å; A136-V193 HydrophobicContact CB-CG2 4.3Å; A136-V196 HydrophobicContact CB-CG2 4.01Å
137	C	98.6	Very high	95.9	Very high	30 Å²	30	28 Å²	28	20%	0.203	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-44.6	177	-167.2	0	0	0	0	112.4	K133 H134 L135 I140 R141 V196 C200	K133-C137 WeakPolarHBondContact O-CB 3.48Å; K133-C137 PolarHBondContact O-N 3.05Å; H134-C137 PolarHBondContact O-N 3.34Å; L135-C137 VanDerWaalsContact C-N 3.27Å; L135-C137 PolarHBondContact O-N 2.86Å; C137-I140 PolarHBondContact O-N 3.01Å; C137-R141 WeakPolarHBondContact O-CG 3.37Å; C137-R141 PolarHBondContact O-N 3.4Å; C137-V196 HydrophobicContact CB-CG2 4.44Å; C137-C200 WeakPolarHBondContact CA-SG 3.23Å; C137-C200 HydrophobicContact CB-CB 3.95Å; C137-C200 WeakPolarHBondContact CB-SG 3.46Å; C137-C200 WeakPolarHBondContact SG-CB 3.33Å; C137-C200 CovalentContact SG-SG 2.02Å; C137-C200 PolarHBondContact SG-SG 3.47Å
138	S	98.5	Very high	95.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-69	-37.2	179	-162.5	0	0	0	0	111.8	H117 D120 W128 H134 L135 R141 A142	H117-S138 PolarHBondContact ND1-OG 3.23Å; D120-S138 PolarHBondContact OD2-OG 3.31Å; W128-S138 WeakPolarHBondContact CH2-OG 3.31Å; H134-S138 PolarHBondContact O-N 2.75Å; H134-S138 VanDerWaalsContact O-N 3.08Å; L135-S138 PolarHBondContact O-N 3.41Å; L135-S138 VanDerWaalsContact O-N 3.12Å; S138-R141 PolarHBondContact O-N 3.12Å; S138-A142 VanDerWaalsContact O-CB 3.28Å; S138-A142 WeakPolarHBondContact O-CB 3.46Å; S138-A142 PolarHBondContact O-N 3.41Å
139	E	98.3	Very high	95.4	Very high	14 Å²	14	24.9 Å²	24.9	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-41.4	173.2	-69.7	-63.5	167.1	0	0	113	H113 H117 L135 A136 A142 A143 A174 S177 I178	H113-E139 IonicContact NE2-OE2 3.82Å; H117-E139 IonicContact CE1-OE1 3.86Å; H117-E139 IonicContact CE1-OE2 2.63Å; H117-E139 IonicContact NE2-OE1 3.98Å; H117-E139 IonicContact NE2-OE2 2.68Å; L135-E139 HydrophobicContact CD1-CG 4.27Å; L135-E139 WeakPolarHBondContact O-CG 3.43Å; L135-E139 PolarHBondContact O-N 3.11Å; A136-E139 PolarHBondContact O-N 3Å; E139-A142 PolarHBondContact O-N 3.28Å; E139-A143 WeakPolarHBondContact O-CB 2.92Å; E139-A143 PolarHBondContact O-N 3.33Å; E139-A174 HydrophobicContact CB-CB 3.86Å; E139-S177 WeakPolarHBondContact OE1-CB 3.34Å; E139-S177 WeakPolarHBondContact OE2-CB 3.41Å; E139-S177 PolarHBondContact OE2-OG 3.25Å; E139-I178 HydrophobicContact CG-CG1 4.33Å
140	I	98.7	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-47.6	174.9	-71.6	167	0	0	0	110.1	A136 C137 A143 N144 V170 A174 V193 V196 F197 C200 F201	A136-I140 WeakPolarHBondContact O-CB 3.37Å; A136-I140 WeakPolarHBondContact O-CD1 3.2Å; A136-I140 WeakPolarHBondContact O-CG1 3.03Å; A136-I140 PolarHBondContact O-N 3.21Å; C137-I140 PolarHBondContact O-N 3.01Å; I140-A143 PolarHBondContact O-N 3.27Å; I140-N144 WeakPolarHBondContact O-CB 3.2Å; I140-N144 PolarHBondContact O-N 3.12Å; I140-V170 HydrophobicContact CB-CG1 4.35Å; I140-V170 HydrophobicContact CG2-CG1 3.83Å; I140-V170 WeakPolarHBondContact O-CG1 3.06Å; I140-A174 HydrophobicContact CG1-CB 3.66Å; I140-V193 HydrophobicContact CD1-CG1 4.07Å; I140-V193 HydrophobicContact CG1-CG1 4.47Å; I140-V196 HydrophobicContact CD1-CG2 3.74Å; I140-F197 HydrophobicContact CD1-CB 4.43Å; I140-F197 HydrophobicContact CD1-CD2 4.03Å; I140-F197 HydrophobicContact CG1-CD2 4.4Å; I140-F197 HydrophobicContact CG2-CD2 4.39Å; I140-F197 HydrophobicContact CG2-CE2 4.44Å; I140-C200 HydrophobicContact CB-CB 4.16Å; I140-C200 HydrophobicContact CD1-CB 4.44Å; I140-C200 HydrophobicContact CG2-CB 3.91Å; I140-F201 HydrophobicContact CG2-CB 4.2Å
141	R	98.6	Very high	94.1	Very high	4 Å²	4	25 Å²	25	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-44.9	178.1	-73.9	169	52.7	81.3	-1.6	111.7	I116 D120 R123 C137 S138 N144 L145 C200 D203 A205	I116-R141 HydrophobicContact CG2-CB 4.07Å; D120-R141 IonicContact OD1-CZ 2.72Å; D120-R141 IonicContact OD1-NE 3.67Å; D120-R141 PolarHBondContact OD1-NE 2.83Å; D120-R141 IonicContact OD1-NH2 2.61Å; D120-R141 PolarHBondContact OD1-NH2 2.93Å; D120-R141 WeakPolarHBondContact OD2-CD 3.24Å; D120-R141 IonicContact OD2-CZ 3.94Å; D120-R141 IonicContact OD2-NE 3.37Å; D120-R141 PolarHBondContact OD2-NE 2.83Å; R123-R141 VanDerWaalsContact NH2-NH1 3.16Å; C137-R141 WeakPolarHBondContact O-CG 3.37Å; C137-R141 PolarHBondContact O-N 3.4Å; S138-R141 PolarHBondContact O-N 3.12Å; R141-N144 PolarHBondContact O-N 3.08Å; R141-L145 WeakPolarHBondContact O-CB 3.47Å; R141-L145 WeakPolarHBondContact O-CG 3.49Å; R141-L145 PolarHBondContact O-N 2.89Å; R141-C200 HydrophobicContact CG-CB 4.47Å; R141-C200 WeakPolarHBondContact CG-O 3.49Å; R141-D203 IonicContact CZ-OD1 3.87Å; R141-D203 VanDerWaalsContact NH1-CB 3.3Å; R141-D203 PolarHBondContact NH1-O 2.91Å; R141-D203 IonicContact NH1-OD1 3.68Å; R141-D203 PolarHBondContact NH1-OD1 3.37Å; R141-D203 IonicContact NH1-OD2 2.69Å; R141-D203 PolarHBondContact NH1-OD2 2.97Å; R141-A205 PolarHBondContact NH2-O 2.8Å
142	A	98.3	Very high	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-48.1	179.3	0	0	0	0	0	111.1	H113 I116 S138 E139 N144 S146	H113-A142 VanDerWaalsContact CE1-CB 3.4Å; H113-A142 WeakPolarHBondContact CE1-CB 3.42Å; I116-A142 HydrophobicContact CB-CB 4.31Å; I116-A142 HydrophobicContact CG2-CB 4.15Å; S138-A142 VanDerWaalsContact O-CB 3.28Å; S138-A142 WeakPolarHBondContact O-CB 3.46Å; S138-A142 PolarHBondContact O-N 3.41Å; E139-A142 PolarHBondContact O-N 3.28Å; A142-N144 VanDerWaalsContact C-N 3.34Å; A142-N144 PolarHBondContact O-N 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.3Å; A142-S146 PolarHBondContact O-N 2.91Å; A142-S146 VanDerWaalsContact O-N 3.07Å; A142-S146 PolarHBondContact O-OG 2.02Å
143	A	97.3	Very high	91.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-35.1	176.4	0	0	0	0	0	113.7	E139 I140 V170 R173	E139-A143 WeakPolarHBondContact O-CB 2.92Å; E139-A143 PolarHBondContact O-N 3.33Å; I140-A143 PolarHBondContact O-N 3.27Å; A143-V170 HydrophobicContact CB-CG1 4.22Å; A143-V170 HydrophobicContact CB-CG2 4.47Å; A143-R173 HydrophobicContact CB-CB 3.65Å; A143-R173 HydrophobicContact CB-CG 4.39Å
144	N	97.4	Very high	90.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-71.9	-44.8	-179.5	-170.5	30.9	0	0	0	112.1	I140 R141 A142 H166 V170 F201 I210	I140-N144 WeakPolarHBondContact O-CB 3.2Å; I140-N144 PolarHBondContact O-N 3.12Å; R141-N144 PolarHBondContact O-N 3.08Å; A142-N144 VanDerWaalsContact C-N 3.34Å; A142-N144 PolarHBondContact O-N 3.27Å; N144-H166 PolarHBondContact OD1-NE2 3.34Å; N144-V170 HydrophobicContact CB-CG1 4.18Å; N144-V170 HydrophobicContact CB-CG2 3.95Å; N144-F201 HydrophobicContact CB-CD2 4.5Å; N144-F201 PolarHBondContact ND2-O 2.52Å; N144-F201 VanDerWaalsContact OD1-CE2 3.25Å; N144-F201 WeakPolarHBondContact OD1-CE2 3.03Å; N144-I210 VanDerWaalsContact OD1-CD1 3.32Å; N144-I210 WeakPolarHBondContact OD1-CD1 3.42Å
145	L	97.7	Very high	88.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-100.3	-16.4	-166.8	-59.9	172.7	0	0	0	114.2	Y53 I116 R141 G147 F207 I210	Y53-L145 WeakPolarHBondContact CD1-O 3.46Å; Y53-L145 WeakPolarHBondContact CE1-O 3.2Å; I116-L145 HydrophobicContact CD1-CB 3.69Å; R141-L145 WeakPolarHBondContact O-CB 3.47Å; R141-L145 WeakPolarHBondContact O-CG 3.49Å; R141-L145 PolarHBondContact O-N 2.89Å; L145-G147 VanDerWaalsContact C-N 3.28Å; L145-G147 PolarHBondContact O-N 2.99Å; L145-F207 HydrophobicContact CB-CD2 4.09Å; L145-F207 HydrophobicContact CB-CE2 4.03Å; L145-F207 HydrophobicContact CD1-CD2 4.08Å; L145-F207 HydrophobicContact CD1-CE2 4.49Å; L145-F207 HydrophobicContact CD2-CD2 4.33Å; L145-F207 HydrophobicContact CG-CD2 4.4Å; L145-I210 HydrophobicContact CD2-CG1 4.3Å
146	S	96.4	Very high	87	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.014	14%	0.138	C	C	.	.	S	Bend	trans	-75.7	-12.4	-177.3	70.1	0	0	0	0	115	A142 D148	A142-S146 WeakPolarHBondContact O-CB 3.3Å; A142-S146 PolarHBondContact O-N 2.91Å; A142-S146 VanDerWaalsContact O-N 3.07Å; A142-S146 PolarHBondContact O-OG 2.02Å; S146-D148 VanDerWaalsContact C-N 3.31Å; S146-D148 VanDerWaalsContact OG-CB 3.29Å; S146-D148 WeakPolarHBondContact OG-CB 3.28Å; S146-D148 PolarHBondContact OG-N 3Å; S146-D148 VanDerWaalsContact OG-N 3.11Å; S146-D148 PolarHBondContact OG-OD2 2.79Å
147	G	91.7	Very high	85.5	Confident	7 Å²	7	29.8 Å²	29.8	7%	0.072	15%	0.153	C	C	.	.	S	Bend	trans	81.2	6.9	-169	0	0	0	0	0	114	L145 C149 S150 N153	L145-G147 VanDerWaalsContact C-N 3.28Å; L145-G147 PolarHBondContact O-N 2.99Å; G147-C149 VanDerWaalsContact C-N 3.27Å; G147-C149 PolarHBondContact O-N 2.96Å; G147-S150 VanDerWaalsContact O-CB 3.27Å; G147-S150 WeakPolarHBondContact O-CB 3.4Å; G147-S150 PolarHBondContact O-N 2.79Å; G147-S150 VanDerWaalsContact O-N 3.14Å; G147-S150 PolarHBondContact O-OG 2.67Å; G147-N153 PolarHBondContact O-ND2 3.34Å
148	D	88.8	Confident	83.7	Confident	5 Å²	5	36 Å²	36	3%	0.027	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-41.1	175.4	-78.5	-37.4	0	0	0	112.8	H113 S146 S150 N153 R173	H113-D148 IonicContact CE1-OD2 3.65Å; H113-D148 IonicContact CG-OD2 3.67Å; H113-D148 IonicContact ND1-OD2 3.14Å; H113-D148 PolarHBondContact ND1-OD2 3.41Å; S146-D148 VanDerWaalsContact C-N 3.31Å; S146-D148 VanDerWaalsContact OG-CB 3.29Å; S146-D148 WeakPolarHBondContact OG-CB 3.28Å; S146-D148 PolarHBondContact OG-N 3Å; S146-D148 VanDerWaalsContact OG-N 3.11Å; S146-D148 PolarHBondContact OG-OD2 2.79Å; D148-S150 VanDerWaalsContact C-N 3.32Å; D148-S150 PolarHBondContact O-N 2.93Å; D148-N153 PolarHBondContact O-ND2 3.46Å; D148-R173 IonicContact OD1-NH2 2.73Å; D148-R173 PolarHBondContact OD1-NH2 3.03Å; D148-R173 VanDerWaalsContact OD1-NH2 3.1Å; D148-R173 IonicContact OD2-CZ 3.91Å; D148-R173 IonicContact OD2-NE 3.25Å; D148-R173 IonicContact OD2-NH2 3.85Å; D148-R173 PolarHBondContact OD2-NH2 3.01Å
149	C	89.3	Confident	81.9	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.02	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	24.7	177.9	-68.1	0	0	0	0	113.5	G147 H166 C169 V170	G147-C149 VanDerWaalsContact C-N 3.27Å; G147-C149 PolarHBondContact O-N 2.96Å; C149-H166 WeakPolarHBondContact CB-ND1 3.34Å; C149-H166 PolarHBondContact O-ND1 3.42Å; C149-C169 WeakPolarHBondContact CA-SG 3.06Å; C149-C169 HydrophobicContact CB-CB 3.66Å; C149-C169 WeakPolarHBondContact CB-SG 2.98Å; C149-C169 WeakPolarHBondContact SG-CB 3.42Å; C149-C169 CovalentContact SG-SG 2.04Å; C149-C169 PolarHBondContact SG-SG 2.04Å; C149-V170 HydrophobicContact CB-CG2 4.2Å; C149-V170 PolarHBondContact SG-N 3.5Å; C149-V170 VanDerWaalsContact SG-N 3.43Å
150	S	81.9	Confident	79.9	Confident	20 Å²	20	46.2 Å²	46.2	14%	0.14	23%	0.225	C	C	.	.			trans	-68.3	149.2	173	60.3	0	0	0	0	111.5	G147 D148 H152 N153 E154	G147-S150 VanDerWaalsContact O-CB 3.27Å; G147-S150 WeakPolarHBondContact O-CB 3.4Å; G147-S150 PolarHBondContact O-N 2.79Å; G147-S150 VanDerWaalsContact O-N 3.14Å; G147-S150 PolarHBondContact O-OG 2.67Å; D148-S150 VanDerWaalsContact C-N 3.32Å; D148-S150 PolarHBondContact O-N 2.93Å; S150-H152 VanDerWaalsContact C-N 3.31Å; S150-H152 PolarHBondContact O-N 3.4Å; S150-N153 WeakPolarHBondContact O-CB 3.35Å; S150-N153 PolarHBondContact O-N 2.94Å; S150-N153 PolarHBondContact OG-ND2 3.05Å; S150-E154 PolarHBondContact O-N 3.21Å; S150-E154 VanDerWaalsContact O-N 3.11Å
151	F	69.9	Low	77.8	Confident	155 Å²	155	48.4 Å²	48.4	68%	0.68	25%	0.248	S	C	*	.	H	α-helix	trans	-53.7	-44.4	-174.6	179.6	-102.4	0	0	0	113.3	N153 E154 V155	F151-N153 VanDerWaalsContact C-N 3.29Å; F151-N153 PolarHBondContact O-N 3.43Å; F151-E154 PolarHBondContact O-N 3.48Å; F151-E154 VanDerWaalsContact O-N 3.16Å; F151-V155 HydrophobicContact CD1-CG2 3.98Å; F151-V155 HydrophobicContact CD2-CG2 4.24Å; F151-V155 HydrophobicContact CE1-CG2 3.53Å; F151-V155 HydrophobicContact CE2-CG2 3.82Å; F151-V155 HydrophobicContact CG-CG2 4.32Å; F151-V155 HydrophobicContact CZ-CG2 3.45Å; F151-V155 VanDerWaalsContact CZ-CG2 3.45Å; F151-V155 WeakPolarHBondContact O-CG2 3.15Å; F151-V155 PolarHBondContact O-N 3.39Å
152	H	68.7	Low	75.7	Confident	147 Å²	147	56.5 Å²	56.5	68%	0.681	29%	0.29	S	S	*	.	H	α-helix	trans	-59.3	-40.3	178.1	176.9	-82.7	0	0	0	112.4	S150 E154 S156	S150-H152 VanDerWaalsContact C-N 3.31Å; S150-H152 PolarHBondContact O-N 3.4Å; H152-E154 VanDerWaalsContact C-N 3.33Å; H152-S156 PolarHBondContact O-N 3.1Å
153	N	66.6	Low	73.6	Confident	18 Å²	18	65.5 Å²	65.5	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-68.9	-35.8	178.7	-67.8	-18.4	0	0	0	111.5	R109 G147 D148 S150 F151 S156 R157	R109-N153 VanDerWaalsContact CD-ND2 3.33Å; R109-N153 WeakPolarHBondContact CD-ND2 3.41Å; R109-N153 PolarHBondContact NH1-ND2 3.06Å; G147-N153 PolarHBondContact O-ND2 3.34Å; D148-N153 PolarHBondContact O-ND2 3.46Å; S150-N153 WeakPolarHBondContact O-CB 3.35Å; S150-N153 PolarHBondContact O-N 2.94Å; S150-N153 PolarHBondContact OG-ND2 3.05Å; F151-N153 VanDerWaalsContact C-N 3.29Å; F151-N153 PolarHBondContact O-N 3.43Å; N153-S156 PolarHBondContact O-N 3Å; N153-S156 PolarHBondContact O-OG 2.99Å; N153-R157 WeakPolarHBondContact O-CG 3.02Å; N153-R157 PolarHBondContact O-N 3.01Å
154	E	68.9	Low	72.3	Confident	7 Å²	7	72.8 Å²	72.8	3%	0.033	36%	0.361	C	S	.	.	H	α-helix	trans	-77.2	-34.2	-179.9	-67.2	-61	116.6	0	0	112.7	S150 F151 H152 S156 R157 F158 N159 H165 C169	S150-E154 PolarHBondContact O-N 3.21Å; S150-E154 VanDerWaalsContact O-N 3.11Å; F151-E154 PolarHBondContact O-N 3.48Å; F151-E154 VanDerWaalsContact O-N 3.16Å; H152-E154 VanDerWaalsContact C-N 3.33Å; E154-S156 VanDerWaalsContact C-N 3.33Å; E154-R157 CarbonylContact O-C 3.59Å; E154-R157 WeakPolarHBondContact O-CA 3.44Å; E154-R157 WeakPolarHBondContact O-CB 3.14Å; E154-R157 PolarHBondContact O-N 3.33Å; E154-R157 WeakPolarHBondContact OE1-CD 3.02Å; E154-R157 IonicContact OE1-CZ 2.55Å; E154-R157 IonicContact OE1-NE 3.17Å; E154-R157 IonicContact OE1-NH1 2.92Å; E154-R157 PolarHBondContact OE1-NH1 2.94Å; E154-F158 PolarHBondContact O-N 3.48Å; E154-N159 PolarHBondContact O-N 2.97Å; E154-N159 VanDerWaalsContact O-N 3.08Å; E154-N159 PolarHBondContact OE2-ND2 3.39Å; E154-H165 WeakPolarHBondContact CB-CE1 3.43Å; E154-H165 WeakPolarHBondContact CG-CE1 3.43Å; E154-H165 IonicContact OE2-CE1 3.93Å; E154-H165 PolarHBondContact OE2-CE1 3.07Å; E154-H165 IonicContact OE2-NE2 2.84Å; E154-C169 VanDerWaalsContact CD-SG 3.52Å; E154-C169 HydrophobicContact CG-CB 4.46Å; E154-C169 PolarHBondContact OE1-SG 3.38Å; E154-C169 VanDerWaalsContact OE1-SG 3.38Å
155	V	62.9	Low	71.6	Confident	54 Å²	54	74.1 Å²	74.1	33%	0.327	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-41.9	167.5	171.4	0	0	0	0	110.9	F151 R157 F158	F151-V155 HydrophobicContact CD1-CG2 3.98Å; F151-V155 HydrophobicContact CD2-CG2 4.24Å; F151-V155 HydrophobicContact CE1-CG2 3.53Å; F151-V155 HydrophobicContact CE2-CG2 3.82Å; F151-V155 HydrophobicContact CG-CG2 4.32Å; F151-V155 HydrophobicContact CZ-CG2 3.45Å; F151-V155 VanDerWaalsContact CZ-CG2 3.45Å; F151-V155 WeakPolarHBondContact O-CG2 3.15Å; F151-V155 PolarHBondContact O-N 3.39Å; V155-R157 PolarHBondContact O-N 3.48Å; V155-R157 VanDerWaalsContact O-N 3.11Å; V155-F158 PolarHBondContact O-N 2.69Å
156	S	61.2	Low	71.1	Confident	74 Å²	74	75.6 Å²	75.6	52%	0.517	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.8	174.3	78.7	0	0	0	0	113.5	H152 N153 E154	H152-S156 PolarHBondContact O-N 3.1Å; N153-S156 PolarHBondContact O-N 3Å; N153-S156 PolarHBondContact O-OG 2.99Å; E154-S156 VanDerWaalsContact C-N 3.33Å
157	R	65.3	Low	71	Confident	84 Å²	84	78.6 Å²	78.6	32%	0.317	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	11.7	175.5	-68.2	168.9	176	166	0.9	112.9	N153 E154 V155 N159	N153-R157 WeakPolarHBondContact O-CG 3.02Å; N153-R157 PolarHBondContact O-N 3.01Å; E154-R157 CarbonylContact O-C 3.59Å; E154-R157 WeakPolarHBondContact O-CA 3.44Å; E154-R157 WeakPolarHBondContact O-CB 3.14Å; E154-R157 PolarHBondContact O-N 3.33Å; E154-R157 WeakPolarHBondContact OE1-CD 3.02Å; E154-R157 IonicContact OE1-CZ 2.55Å; E154-R157 IonicContact OE1-NE 3.17Å; E154-R157 IonicContact OE1-NH1 2.92Å; E154-R157 PolarHBondContact OE1-NH1 2.94Å; V155-R157 PolarHBondContact O-N 3.48Å; V155-R157 VanDerWaalsContact O-N 3.11Å; R157-N159 VanDerWaalsContact C-N 3.27Å; R157-N159 PolarHBondContact O-N 3.09Å
158	F	61.9	Low	71	Confident	161 Å²	161	83.9 Å²	83.9	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	24.6	178.6	-55.9	-82	0	0	0	115.4	E154 V155 F160	E154-F158 PolarHBondContact O-N 3.48Å; V155-F158 PolarHBondContact O-N 2.69Å; F158-F160 HydrophobicContact CB-CE2 4.1Å; F158-F160 HydrophobicContact CD1-CE2 4.42Å; F158-F160 HydrophobicContact CD1-CZ 4.29Å; F158-F160 WeakPolarHBondContact O-CD2 3.02Å; F158-F160 VanDerWaalsContact O-CE2 3.29Å; F158-F160 WeakPolarHBondContact O-CE2 3.13Å
159	N	59	Low	71.2	Confident	76 Å²	76	84.1 Å²	84.1	41%	0.406	41%	0.413	S	S	.	.			trans	-94	114.3	174.5	-64.3	-31	0	0	0	110.6	E154 R157 H165	E154-N159 PolarHBondContact O-N 2.97Å; E154-N159 VanDerWaalsContact O-N 3.08Å; E154-N159 PolarHBondContact OE2-ND2 3.39Å; R157-N159 VanDerWaalsContact C-N 3.27Å; R157-N159 PolarHBondContact O-N 3.09Å; N159-H165 WeakPolarHBondContact CB-NE2 3.46Å
160	F	57.2	Low	71.6	Confident	152 Å²	152	84 Å²	84	67%	0.667	41%	0.412	S	S	*	.			trans	-110.6	15.1	-171.5	-58.7	-77.1	0	0	0	115	F158	F158-F160 HydrophobicContact CB-CE2 4.1Å; F158-F160 HydrophobicContact CD1-CE2 4.42Å; F158-F160 HydrophobicContact CD1-CZ 4.29Å; F158-F160 WeakPolarHBondContact O-CD2 3.02Å; F158-F160 VanDerWaalsContact O-CE2 3.29Å; F158-F160 WeakPolarHBondContact O-CE2 3.13Å
161	G	54.1	Low	72.2	Confident	46 Å²	46	86.9 Å²	86.9	47%	0.474	42%	0.42	S	S	.	.			trans	-71.4	134.4	-177.5	0	0	0	0	0	113.9
162	L	54.9	Low	73.4	Confident	175 Å²	175	80.6 Å²	80.6	92%	0.916	40%	0.398	S	S	*	.	S	Bend	trans	-94.9	-6.3	-173.8	-79.2	162.1	0	0	0	115.6
163	K	54.8	Low	74.7	Confident	189 Å²	189	76.3 Å²	76.3	82%	0.822	38%	0.376	S	S	*	.	S	Bend	trans	-135.7	135.5	177.3	-110.6	178.5	178.4	177.1	0	110.2	H165	K163-H165 PolarHBondContact O-N 3.29Å; K163-H165 VanDerWaalsContact O-N 3.14Å
164	K	69.6	Low	76.2	Confident	153 Å²	153	75.5 Å²	75.5	67%	0.665	37%	0.372	S	S	*	.	S	Bend	trans	61.7	7.8	178.9	-61.7	-173.2	177	-175.2	0	117.7	H166 Q167 E168	K164-H166 VanDerWaalsContact C-N 3.27Å; K164-H166 PolarHBondContact O-N 3.38Å; K164-Q167 PolarHBondContact O-N 3.42Å; K164-Q167 VanDerWaalsContact O-N 3.13Å; K164-Q167 PolarHBondContact O-OE1 3.13Å; K164-E168 PolarHBondContact O-N 2.9Å
165	H	81.8	Confident	77.5	Confident	29 Å²	29	75.9 Å²	75.9	13%	0.134	37%	0.374	C	S	.	.	H	α-helix	trans	-52.2	-41.7	-179.5	-175.2	-69.7	0	0	0	113.8	E154 N159 K163 E168 C169	E154-H165 WeakPolarHBondContact CB-CE1 3.43Å; E154-H165 WeakPolarHBondContact CG-CE1 3.43Å; E154-H165 IonicContact OE2-CE1 3.93Å; E154-H165 PolarHBondContact OE2-CE1 3.07Å; E154-H165 IonicContact OE2-NE2 2.84Å; N159-H165 WeakPolarHBondContact CB-NE2 3.46Å; K163-H165 PolarHBondContact O-N 3.29Å; K163-H165 VanDerWaalsContact O-N 3.14Å; H165-E168 PolarHBondContact O-N 3.49Å; H165-C169 WeakPolarHBondContact O-CB 3.31Å; H165-C169 PolarHBondContact O-N 3.27Å
166	H	89.2	Confident	79	Confident	31 Å²	31	80.7 Å²	80.7	14%	0.144	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-45.6	-179	-172.6	72.5	0	0	0	111.6	N144 C149 K164 E168 C169 V170 F201	N144-H166 PolarHBondContact OD1-NE2 3.34Å; C149-H166 WeakPolarHBondContact CB-ND1 3.34Å; C149-H166 PolarHBondContact O-ND1 3.42Å; K164-H166 VanDerWaalsContact C-N 3.27Å; K164-H166 PolarHBondContact O-N 3.38Å; H166-E168 VanDerWaalsContact C-N 3.32Å; H166-E168 PolarHBondContact O-N 3.43Å; H166-C169 PolarHBondContact O-N 2.95Å; H166-V170 VanDerWaalsContact O-CG2 3.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.25Å; H166-V170 PolarHBondContact O-N 3.41Å; H166-F201 AromaticContact CD2-CE2 3.85Å; H166-F201 AromaticContact CD2-CZ 3.89Å
167	Q	92.8	Very high	80.5	Confident	64 Å²	64	78.5 Å²	78.5	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-62.2	-39.4	176.7	-67.5	88.5	-18	0	0	112.3	K164 V170 R171 F197 F201	K164-Q167 PolarHBondContact O-N 3.42Å; K164-Q167 VanDerWaalsContact O-N 3.13Å; K164-Q167 PolarHBondContact O-OE1 3.13Å; Q167-V170 PolarHBondContact O-N 3.38Å; Q167-R171 WeakPolarHBondContact O-CG 3.34Å; Q167-R171 PolarHBondContact O-N 3.14Å; Q167-F197 HydrophobicContact CB-CE1 4.31Å; Q167-F197 HydrophobicContact CB-CZ 3.91Å; Q167-F197 HydrophobicContact CG-CE1 4.22Å; Q167-F197 HydrophobicContact CG-CZ 4.15Å; Q167-F201 HydrophobicContact CG-CE1 4.24Å; Q167-F201 HydrophobicContact CG-CE2 3.93Å; Q167-F201 HydrophobicContact CG-CZ 3.74Å
168	E	92.3	Very high	81.9	Confident	119 Å²	119	74.6 Å²	74.6	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-64.7	-43.8	176.1	-71.8	171.6	-174.9	0	0	111.4	K164 H165 H166 V170 R171 G172	K164-E168 PolarHBondContact O-N 2.9Å; H165-E168 PolarHBondContact O-N 3.49Å; H166-E168 VanDerWaalsContact C-N 3.32Å; H166-E168 PolarHBondContact O-N 3.43Å; E168-V170 PolarHBondContact O-N 2.72Å; E168-R171 PolarHBondContact O-N 3.17Å; E168-G172 PolarHBondContact O-N 3.16Å
169	C	93.2	Very high	83.4	Confident	10 Å²	10	70 Å²	70	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-45.6	173.2	174.7	0	0	0	0	111.7	C149 E154 H165 H166 G172 R173	C149-C169 WeakPolarHBondContact CA-SG 3.06Å; C149-C169 HydrophobicContact CB-CB 3.66Å; C149-C169 WeakPolarHBondContact CB-SG 2.98Å; C149-C169 WeakPolarHBondContact SG-CB 3.42Å; C149-C169 CovalentContact SG-SG 2.04Å; C149-C169 PolarHBondContact SG-SG 2.04Å; E154-C169 VanDerWaalsContact CD-SG 3.52Å; E154-C169 HydrophobicContact CG-CB 4.46Å; E154-C169 PolarHBondContact OE1-SG 3.38Å; E154-C169 VanDerWaalsContact OE1-SG 3.38Å; H165-C169 WeakPolarHBondContact O-CB 3.31Å; H165-C169 PolarHBondContact O-N 3.27Å; H166-C169 PolarHBondContact O-N 2.95Å; C169-G172 PolarHBondContact O-N 3.25Å; C169-R173 WeakPolarHBondContact O-CB 3.43Å; C169-R173 VanDerWaalsContact O-CG 3.23Å; C169-R173 WeakPolarHBondContact O-CG 3.48Å; C169-R173 PolarHBondContact O-N 3.08Å
170	V	96.4	Very high	84.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-47.1	179.7	172.6	0	0	0	0	110.9	I140 A143 N144 C149 H166 Q167 E168 G172 R173 A174 F197 F201	I140-V170 HydrophobicContact CB-CG1 4.35Å; I140-V170 HydrophobicContact CG2-CG1 3.83Å; I140-V170 WeakPolarHBondContact O-CG1 3.06Å; A143-V170 HydrophobicContact CB-CG1 4.22Å; A143-V170 HydrophobicContact CB-CG2 4.47Å; N144-V170 HydrophobicContact CB-CG1 4.18Å; N144-V170 HydrophobicContact CB-CG2 3.95Å; C149-V170 HydrophobicContact CB-CG2 4.2Å; C149-V170 PolarHBondContact SG-N 3.5Å; C149-V170 VanDerWaalsContact SG-N 3.43Å; H166-V170 VanDerWaalsContact O-CG2 3.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.25Å; H166-V170 PolarHBondContact O-N 3.41Å; Q167-V170 PolarHBondContact O-N 3.38Å; E168-V170 PolarHBondContact O-N 2.72Å; V170-G172 PolarHBondContact O-N 3.24Å; V170-R173 PolarHBondContact O-N 3.46Å; V170-A174 WeakPolarHBondContact O-CB 3.39Å; V170-A174 PolarHBondContact O-N 3.14Å; V170-F197 HydrophobicContact CB-CE2 4.33Å; V170-F197 HydrophobicContact CG1-CE2 3.95Å; V170-F197 HydrophobicContact CG1-CZ 4.45Å; V170-F201 HydrophobicContact CB-CD2 4.48Å; V170-F201 HydrophobicContact CB-CE2 4.44Å; V170-F201 HydrophobicContact CG1-CD2 4.16Å; V170-F201 HydrophobicContact CG2-CE2 4.16Å
171	R	96.4	Very high	86.3	Confident	81 Å²	81	62.9 Å²	62.9	31%	0.306	32%	0.315	S	S	.	.	H	α-helix	trans	-56.7	-51	173.9	-76.4	-171.9	172.4	76	1.8	111.4	Q167 E168 R173 A174 L175 V193 D194 F197	Q167-R171 WeakPolarHBondContact O-CG 3.34Å; Q167-R171 PolarHBondContact O-N 3.14Å; E168-R171 PolarHBondContact O-N 3.17Å; R171-R173 VanDerWaalsContact C-N 3.31Å; R171-R173 PolarHBondContact O-N 3.14Å; R171-A174 PolarHBondContact O-N 2.96Å; R171-L175 WeakPolarHBondContact O-CB 3.25Å; R171-L175 PolarHBondContact O-N 2.95Å; R171-V193 HydrophobicContact CG-CG1 4.33Å; R171-D194 IonicContact NE-OD1 2.79Å; R171-D194 PolarHBondContact NE-OD1 2.94Å; R171-F197 HydrophobicContact CB-CE2 4.34Å; R171-F197 HydrophobicContact CG-CD2 3.49Å; R171-F197 VanDerWaalsContact CG-CD2 3.49Å; R171-F197 HydrophobicContact CG-CE2 3.27Å; R171-F197 HydrophobicContact CG-CG 4.4Å; R171-F197 HydrophobicContact CG-CZ 4.02Å; R171-F197 VanDerWaalsContact NH1-CE1 3.26Å; R171-F197 VanDerWaalsContact NH1-CZ 3.28Å
172	G	95.1	Very high	87.8	Confident	22 Å²	22	61.8 Å²	61.8	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-28.1	-176	0	0	0	0	0	114.2	E168 C169 V170 R176	E168-G172 PolarHBondContact O-N 3.16Å; C169-G172 PolarHBondContact O-N 3.25Å; V170-G172 PolarHBondContact O-N 3.24Å; G172-R176 WeakPolarHBondContact O-CB 3.33Å; G172-R176 WeakPolarHBondContact O-CG 3.4Å; G172-R176 PolarHBondContact O-N 2.64Å; G172-R176 PolarHBondContact O-NE 3.39Å
173	R	95	Very high	89.4	Confident	58 Å²	58	61.2 Å²	61.2	22%	0.219	29%	0.287	C	S	.	.	H	α-helix	trans	-74.1	-50.7	172.8	-73.7	-83.1	-77.9	-178.1	2.9	110.5	A143 D148 C169 V170 R171 L175 R176 S177	A143-R173 HydrophobicContact CB-CB 3.65Å; A143-R173 HydrophobicContact CB-CG 4.39Å; D148-R173 IonicContact OD1-NH2 2.73Å; D148-R173 PolarHBondContact OD1-NH2 3.03Å; D148-R173 VanDerWaalsContact OD1-NH2 3.1Å; D148-R173 IonicContact OD2-CZ 3.91Å; D148-R173 IonicContact OD2-NE 3.25Å; D148-R173 IonicContact OD2-NH2 3.85Å; D148-R173 PolarHBondContact OD2-NH2 3.01Å; C169-R173 WeakPolarHBondContact O-CB 3.43Å; C169-R173 VanDerWaalsContact O-CG 3.23Å; C169-R173 WeakPolarHBondContact O-CG 3.48Å; C169-R173 PolarHBondContact O-N 3.08Å; V170-R173 PolarHBondContact O-N 3.46Å; R171-R173 VanDerWaalsContact C-N 3.31Å; R171-R173 PolarHBondContact O-N 3.14Å; R173-L175 VanDerWaalsContact C-N 3.31Å; R173-L175 PolarHBondContact O-N 3.34Å; R173-R176 WeakPolarHBondContact O-CB 3.2Å; R173-R176 PolarHBondContact O-N 3.25Å; R173-R176 VanDerWaalsContact O-N 3.08Å; R173-S177 PolarHBondContact O-N 3.08Å; R173-S177 PolarHBondContact O-OG 2.55Å
174	A	97.3	Very high	91.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.7	-44	179.3	0	0	0	0	0	112	E139 I140 V170 R171 R176 S177 I178 V193	E139-A174 HydrophobicContact CB-CB 3.86Å; I140-A174 HydrophobicContact CG1-CB 3.66Å; V170-A174 WeakPolarHBondContact O-CB 3.39Å; V170-A174 PolarHBondContact O-N 3.14Å; R171-A174 PolarHBondContact O-N 2.96Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 3.11Å; A174-S177 PolarHBondContact O-N 2.97Å; A174-I178 WeakPolarHBondContact O-CD1 3.26Å; A174-I178 VanDerWaalsContact O-CG1 3.27Å; A174-I178 WeakPolarHBondContact O-CG1 3.12Å; A174-I178 PolarHBondContact O-N 3.16Å; A174-V193 HydrophobicContact CB-CG2 4.32Å
175	L	96.9	Very high	92.3	Very high	15 Å²	15	48.8 Å²	48.8	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-45.7	174.3	179	62.3	0	0	0	112.1	R171 R173 I178 L179 A189 E190	R171-L175 WeakPolarHBondContact O-CB 3.25Å; R171-L175 PolarHBondContact O-N 2.95Å; R173-L175 VanDerWaalsContact C-N 3.31Å; R173-L175 PolarHBondContact O-N 3.34Å; L175-I178 PolarHBondContact O-N 3.1Å; L175-L179 HydrophobicContact CD1-CD1 3.87Å; L175-L179 HydrophobicContact CD1-CG 4.19Å; L175-L179 HydrophobicContact CG-CD1 3.9Å; L175-L179 WeakPolarHBondContact O-CB 3.39Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 3.18Å; L175-A189 HydrophobicContact CD1-CB 3.46Å; L175-A189 VanDerWaalsContact CD1-CB 3.46Å; L175-E190 HydrophobicContact CD1-CG 3.71Å; L175-E190 HydrophobicContact CD2-CG 3.59Å; L175-E190 WeakPolarHBondContact CD2-OE1 2.89Å; L175-E190 HydrophobicContact CG-CG 4.28Å
176	R	94.3	Very high	93	Very high	156 Å²	156	54.4 Å²	54.4	59%	0.589	26%	0.262	S	S	*	.	H	α-helix	trans	-64.3	-42.7	179.3	-89.9	179.9	-92.6	173.9	-14.2	112.4	G172 R173 A174 L179 A180	G172-R176 WeakPolarHBondContact O-CB 3.33Å; G172-R176 WeakPolarHBondContact O-CG 3.4Å; G172-R176 PolarHBondContact O-N 2.64Å; G172-R176 PolarHBondContact O-NE 3.39Å; R173-R176 WeakPolarHBondContact O-CB 3.2Å; R173-R176 PolarHBondContact O-N 3.25Å; R173-R176 VanDerWaalsContact O-N 3.08Å; A174-R176 VanDerWaalsContact C-N 3.34Å; A174-R176 PolarHBondContact O-N 3.11Å; R176-L179 PolarHBondContact O-N 3.44Å; R176-A180 WeakPolarHBondContact O-CB 3.29Å; R176-A180 PolarHBondContact O-N 2.56Å
177	S	93.5	Very high	93.4	Very high	27 Å²	27	59.4 Å²	59.4	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-47.1	177.2	-57.1	0	0	0	0	111.4	E139 R173 A174 L179 A180 V181	E139-S177 WeakPolarHBondContact OE1-CB 3.34Å; E139-S177 WeakPolarHBondContact OE2-CB 3.41Å; E139-S177 PolarHBondContact OE2-OG 3.25Å; R173-S177 PolarHBondContact O-N 3.08Å; R173-S177 PolarHBondContact O-OG 2.55Å; A174-S177 PolarHBondContact O-N 2.97Å; S177-L179 PolarHBondContact O-N 2.67Å; S177-A180 WeakPolarHBondContact O-CB 3.44Å; S177-A180 PolarHBondContact O-N 3.12Å; S177-A180 VanDerWaalsContact O-N 3.14Å; S177-V181 WeakPolarHBondContact O-CG2 3.47Å; S177-V181 PolarHBondContact O-N 3.17Å
178	I	94.1	Very high	93.5	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-47.7	178.9	-65.8	163.4	0	0	0	110.7	L135 A136 E139 A174 L175 A180 V181 R182 V184 A189 V193	L135-I178 HydrophobicContact CD2-CG1 4.48Å; L135-I178 HydrophobicContact CG-CG1 4.46Å; A136-I178 HydrophobicContact CB-CD1 3.64Å; E139-I178 HydrophobicContact CG-CG1 4.33Å; A174-I178 WeakPolarHBondContact O-CD1 3.26Å; A174-I178 VanDerWaalsContact O-CG1 3.27Å; A174-I178 WeakPolarHBondContact O-CG1 3.12Å; A174-I178 PolarHBondContact O-N 3.16Å; L175-I178 PolarHBondContact O-N 3.1Å; I178-A180 PolarHBondContact O-N 2.92Å; I178-V181 PolarHBondContact O-N 3.17Å; I178-R182 WeakPolarHBondContact O-CB 3.29Å; I178-R182 PolarHBondContact O-N 2.98Å; I178-V184 HydrophobicContact CG2-CG2 4.03Å; I178-A189 HydrophobicContact CG2-CB 3.96Å; I178-V193 HydrophobicContact CD1-CG2 3.47Å; I178-V193 VanDerWaalsContact CD1-CG2 3.47Å
179	L	93.1	Very high	93.7	Very high	63 Å²	63	55.4 Å²	55.4	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-24.3	-180	-69.6	172.1	0	0	0	113.3	L175 R176 S177 V184 R186 A189	L175-L179 HydrophobicContact CD1-CD1 3.87Å; L175-L179 HydrophobicContact CD1-CG 4.19Å; L175-L179 HydrophobicContact CG-CD1 3.9Å; L175-L179 WeakPolarHBondContact O-CB 3.39Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 3.18Å; R176-L179 PolarHBondContact O-N 3.44Å; S177-L179 PolarHBondContact O-N 2.67Å; L179-V184 HydrophobicContact CD2-CG2 4.33Å; L179-R186 HydrophobicContact CD1-CB 4.49Å; L179-R186 HydrophobicContact CD1-CG 4.34Å; L179-A189 HydrophobicContact CD2-CB 4.04Å; L179-A189 HydrophobicContact CG-CB 4.31Å
180	A	89.3	Confident	93.9	Very high	48 Å²	48	58.3 Å²	58.3	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-75.5	-32.8	175.5	0	0	0	0	0	112.2	R176 S177 I178	R176-A180 WeakPolarHBondContact O-CB 3.29Å; R176-A180 PolarHBondContact O-N 2.56Å; S177-A180 WeakPolarHBondContact O-CB 3.44Å; S177-A180 PolarHBondContact O-N 3.12Å; S177-A180 VanDerWaalsContact O-N 3.14Å; I178-A180 PolarHBondContact O-N 2.92Å
181	V	87.5	Confident	94	Very high	31 Å²	31	65.6 Å²	65.6	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-111.3	-5.4	-171.2	-53.7	0	0	0	0	114.1	Y11 G12 L15 L135 S177 I178	Y11-V181 CarbonylContact C-O 3.37Å; Y11-V181 VanDerWaalsContact C-O 3.24Å; Y11-V181 WeakPolarHBondContact CA-O 3.18Å; G12-V181 PolarHBondContact N-O 2.84Å; L15-V181 HydrophobicContact CD1-CG1 4.28Å; L135-V181 HydrophobicContact CD2-CG2 4.18Å; S177-V181 WeakPolarHBondContact O-CG2 3.47Å; S177-V181 PolarHBondContact O-N 3.17Å; I178-V181 PolarHBondContact O-N 3.17Å
182	R	86.5	Confident	94	Very high	23 Å²	23	62.7 Å²	62.7	9%	0.087	30%	0.302	C	S	.	.	S	Bend	trans	-134.6	137.3	178.3	-64.2	-65.7	177.4	-88.3	2.8	111	Y11 W128 F132 L135 I178 V184	Y11-R182 VanDerWaalsContact CA-NH1 3.27Å; Y11-R182 PolarHBondContact O-NH1 3.45Å; W128-R182 PolarHBondContact O-NH2 3.36Å; F132-R182 HydrophobicContact CE1-CB 3.89Å; F132-R182 HydrophobicContact CE1-CG 3.78Å; F132-R182 HydrophobicContact CZ-CB 4.42Å; F132-R182 HydrophobicContact CZ-CG 4.23Å; L135-R182 HydrophobicContact CD2-CG 3.73Å; I178-R182 WeakPolarHBondContact O-CB 3.29Å; I178-R182 PolarHBondContact O-N 2.98Å; R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 HydrophobicContact CB-CG1 4.46Å; R182-V184 HydrophobicContact CB-CG2 4.12Å; R182-V184 PolarHBondContact O-N 3.42Å
183	K	88.3	Confident	94.2	Very high	164 Å²	164	61.8 Å²	61.8	71%	0.713	29%	0.293	S	S	*	.			trans	-78	74.1	169.6	-70.9	176.5	177.9	158.4	0	110.8	D10	D10-K183 HydrophobicContact CB-CD 3.82Å; D10-K183 HydrophobicContact CB-CG 4.1Å; D10-K183 WeakPolarHBondContact OD2-CE 3.37Å; D10-K183 IonicContact OD2-NZ 3.66Å
184	V	90.9	Very high	94.3	Very high	27 Å²	27	63.3 Å²	63.3	16%	0.164	31%	0.305	C	S	.	.			trans	-123.8	157	173.7	-71.1	0	0	0	0	111.3	F132 I178 L179 R182 A189	F132-V184 HydrophobicContact CD1-CG1 4.17Å; F132-V184 HydrophobicContact CE1-CB 4.45Å; F132-V184 HydrophobicContact CE1-CG1 3.3Å; F132-V184 HydrophobicContact CE1-CG2 4.38Å; F132-V184 HydrophobicContact CZ-CG1 3.76Å; I178-V184 HydrophobicContact CG2-CG2 4.03Å; L179-V184 HydrophobicContact CD2-CG2 4.33Å; R182-V184 VanDerWaalsContact C-N 3.26Å; R182-V184 HydrophobicContact CB-CG1 4.46Å; R182-V184 HydrophobicContact CB-CG2 4.12Å; R182-V184 PolarHBondContact O-N 3.42Å; V184-A189 HydrophobicContact CG2-CB 4.02Å
185	S	95.1	Very high	94.4	Very high	54 Å²	54	68.6 Å²	68.6	38%	0.378	33%	0.33	S	S	.	.			trans	-65.8	153.5	171.3	67.7	0	0	0	0	110.5	E187 E188 A189	S185-E187 VanDerWaalsContact C-N 3.27Å; S185-E187 PolarHBondContact O-N 3.36Å; S185-E188 PolarHBondContact O-N 3.28Å; S185-E188 WeakPolarHBondContact OG-CB 2.9Å; S185-E188 PolarHBondContact OG-N 2.9Å; S185-E188 VanDerWaalsContact OG-N 3.16Å; S185-A189 PolarHBondContact O-N 3.31Å
186	R	95.9	Very high	94.5	Very high	147 Å²	147	68.7 Å²	68.7	56%	0.555	33%	0.331	S	S	*	.	H	α-helix	trans	-61	-41.1	176.1	179.1	173.7	176.6	142.9	3.7	111.2	L179 E188 A189 E190	L179-R186 HydrophobicContact CD1-CB 4.49Å; L179-R186 HydrophobicContact CD1-CG 4.34Å; R186-E188 VanDerWaalsContact C-N 3.33Å; R186-E188 PolarHBondContact O-N 3.48Å; R186-A189 PolarHBondContact O-N 2.98Å; R186-E190 HydrophobicContact CG-CG 4.35Å; R186-E190 IonicContact CZ-OE1 3.22Å; R186-E190 IonicContact NE-OE1 3.46Å; R186-E190 PolarHBondContact NE-OE1 3.04Å; R186-E190 IonicContact NH2-OE1 3.51Å; R186-E190 PolarHBondContact NH2-OE1 3.41Å; R186-E190 WeakPolarHBondContact O-CB 3.48Å; R186-E190 WeakPolarHBondContact O-CG 3.27Å; R186-E190 PolarHBondContact O-N 2.76Å
187	E	96.9	Very high	94.7	Very high	135 Å²	135	61.4 Å²	61.4	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-62.9	-40.6	179.9	-63.6	75.4	-166.5	0	0	111.6	S185 K191	S185-E187 VanDerWaalsContact C-N 3.27Å; S185-E187 PolarHBondContact O-N 3.36Å; E187-K191 WeakPolarHBondContact O-CB 2.97Å; E187-K191 PolarHBondContact O-N 3.33Å
188	E	95.8	Very high	94.9	Very high	96 Å²	96	65.4 Å²	65.4	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-67.2	-45.2	175.8	-178.8	173.6	-167.7	0	0	111.8	S185 R186 E190 K191 V192	S185-E188 PolarHBondContact O-N 3.28Å; S185-E188 WeakPolarHBondContact OG-CB 2.9Å; S185-E188 PolarHBondContact OG-N 2.9Å; S185-E188 VanDerWaalsContact OG-N 3.16Å; R186-E188 VanDerWaalsContact C-N 3.33Å; R186-E188 PolarHBondContact O-N 3.48Å; E188-E190 PolarHBondContact O-N 3.29Å; E188-K191 PolarHBondContact O-N 2.03Å; E188-V192 WeakPolarHBondContact O-CG2 3.39Å; E188-V192 PolarHBondContact O-N 2.81Å
189	A	96.7	Very high	95.1	Very high	3 Å²	3	70.5 Å²	70.5	3%	0.025	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-42.4	176.8	0	0	0	0	0	111.9	L175 I178 L179 V184 S185 R186 V192 V193	L175-A189 HydrophobicContact CD1-CB 3.46Å; L175-A189 VanDerWaalsContact CD1-CB 3.46Å; I178-A189 HydrophobicContact CG2-CB 3.96Å; L179-A189 HydrophobicContact CD2-CB 4.04Å; L179-A189 HydrophobicContact CG-CB 4.31Å; V184-A189 HydrophobicContact CG2-CB 4.02Å; S185-A189 PolarHBondContact O-N 3.31Å; R186-A189 PolarHBondContact O-N 2.98Å; A189-V192 PolarHBondContact O-N 2.94Å; A189-V193 WeakPolarHBondContact O-CB 3.4Å; A189-V193 VanDerWaalsContact O-CG2 3.29Å; A189-V193 WeakPolarHBondContact O-CG2 3.46Å; A189-V193 PolarHBondContact O-N 2.93Å
190	E	97.6	Very high	95.3	Very high	72 Å²	72	67.7 Å²	67.7	34%	0.336	34%	0.34	S	S	.	.	H	α-helix	trans	-60	-46.4	174.5	-77.5	176.3	-179.7	0	0	111.2	L175 R186 E188 V192 V193 D194	L175-E190 HydrophobicContact CD1-CG 3.71Å; L175-E190 HydrophobicContact CD2-CG 3.59Å; L175-E190 WeakPolarHBondContact CD2-OE1 2.89Å; L175-E190 HydrophobicContact CG-CG 4.28Å; R186-E190 HydrophobicContact CG-CG 4.35Å; R186-E190 IonicContact CZ-OE1 3.22Å; R186-E190 IonicContact NE-OE1 3.46Å; R186-E190 PolarHBondContact NE-OE1 3.04Å; R186-E190 IonicContact NH2-OE1 3.51Å; R186-E190 PolarHBondContact NH2-OE1 3.41Å; R186-E190 WeakPolarHBondContact O-CB 3.48Å; R186-E190 WeakPolarHBondContact O-CG 3.27Å; R186-E190 PolarHBondContact O-N 2.76Å; E188-E190 PolarHBondContact O-N 3.29Å; E190-V192 PolarHBondContact O-N 3.04Å; E190-V193 PolarHBondContact O-N 3.37Å; E190-D194 WeakPolarHBondContact O-CB 3.49Å; E190-D194 PolarHBondContact O-N 3.37Å
191	K	97.8	Very high	95.7	Very high	152 Å²	152	66.2 Å²	66.2	66%	0.661	32%	0.324	S	S	*	.	H	α-helix	trans	-59.2	-45.9	177.7	-177.5	-176.5	176	-173.4	0	112.3	E187 E188 D194 E195	E187-K191 WeakPolarHBondContact O-CB 2.97Å; E187-K191 PolarHBondContact O-N 3.33Å; E188-K191 PolarHBondContact O-N 2.03Å; K191-D194 PolarHBondContact O-N 3.38Å; K191-E195 WeakPolarHBondContact O-CB 3.1Å; K191-E195 PolarHBondContact O-N 2.96Å
192	V	97.4	Very high	96.2	Very high	20 Å²	20	69.7 Å²	69.7	12%	0.121	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-43.4	179.4	173.7	0	0	0	0	110.9	F132 K133 A136 E188 A189 E190 E195 V196	F132-V192 HydrophobicContact CB-CG1 4.21Å; F132-V192 HydrophobicContact CB-CG2 4.46Å; K133-V192 HydrophobicContact CG-CG1 4.1Å; A136-V192 HydrophobicContact CB-CG1 3.71Å; E188-V192 WeakPolarHBondContact O-CG2 3.39Å; E188-V192 PolarHBondContact O-N 2.81Å; A189-V192 PolarHBondContact O-N 2.94Å; E190-V192 PolarHBondContact O-N 3.04Å; V192-E195 PolarHBondContact O-N 3.08Å; V192-V196 WeakPolarHBondContact O-CG2 3.5Å; V192-V196 PolarHBondContact O-N 3.35Å
193	V	98.2	Very high	96.8	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-58.7	-49.6	176.3	166.3	0	0	0	0	110.5	A136 I140 R171 A174 I178 A189 E190 E195 V196 F197	A136-V193 HydrophobicContact CB-CG2 4.3Å; I140-V193 HydrophobicContact CD1-CG1 4.07Å; I140-V193 HydrophobicContact CG1-CG1 4.47Å; R171-V193 HydrophobicContact CG-CG1 4.33Å; A174-V193 HydrophobicContact CB-CG2 4.32Å; I178-V193 HydrophobicContact CD1-CG2 3.47Å; I178-V193 VanDerWaalsContact CD1-CG2 3.47Å; A189-V193 WeakPolarHBondContact O-CB 3.4Å; A189-V193 VanDerWaalsContact O-CG2 3.29Å; A189-V193 WeakPolarHBondContact O-CG2 3.46Å; A189-V193 PolarHBondContact O-N 2.93Å; E190-V193 PolarHBondContact O-N 3.37Å; V193-E195 VanDerWaalsContact C-N 3.33Å; V193-E195 PolarHBondContact O-N 2.85Å; V193-V196 PolarHBondContact O-N 3.03Å; V193-F197 HydrophobicContact CG1-CD2 4.45Å; V193-F197 WeakPolarHBondContact O-CA 3.36Å; V193-F197 VanDerWaalsContact O-CB 3.29Å; V193-F197 WeakPolarHBondContact O-CB 3.33Å; V193-F197 PolarHBondContact O-N 3.44Å
194	D	98	Very high	97.3	Very high	89 Å²	89	65.6 Å²	65.6	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-35.8	-179.2	-80.3	-26.2	0	0	0	112.6	R171 E190 K191 V196 F197	R171-D194 IonicContact NE-OD1 2.79Å; R171-D194 PolarHBondContact NE-OD1 2.94Å; E190-D194 WeakPolarHBondContact O-CB 3.49Å; E190-D194 PolarHBondContact O-N 3.37Å; K191-D194 PolarHBondContact O-N 3.38Å; D194-V196 VanDerWaalsContact C-N 3.33Å; D194-V196 PolarHBondContact O-N 3.45Å; D194-F197 PolarHBondContact O-N 3.19Å
195	E	98.4	Very high	97.5	Very high	112 Å²	112	65.6 Å²	65.6	52%	0.523	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-40	177.8	-173.9	177.7	170.8	0	0	112.4	K133 K191 V192 V193	K133-E195 VanDerWaalsContact CE-OE1 3.26Å; K133-E195 WeakPolarHBondContact CE-OE1 3.44Å; K133-E195 WeakPolarHBondContact CE-OE2 3.34Å; K133-E195 IonicContact NZ-OE1 3.85Å; K133-E195 PolarHBondContact NZ-OE1 3.14Å; K133-E195 IonicContact NZ-OE2 3.12Å; K133-E195 PolarHBondContact NZ-OE2 3Å; K191-E195 WeakPolarHBondContact O-CB 3.1Å; K191-E195 PolarHBondContact O-N 2.96Å; V192-E195 PolarHBondContact O-N 3.08Å; V193-E195 VanDerWaalsContact C-N 3.33Å; V193-E195 PolarHBondContact O-N 2.85Å
196	V	98.5	Very high	97.6	Very high	17 Å²	17	64.1 Å²	64.1	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-97.3	-8	-177.3	-54.3	0	0	0	0	113.6	K133 A136 C137 I140 V192 V193 D194 D198 T199 C200	K133-V196 HydrophobicContact CB-CG1 3.73Å; K133-V196 HydrophobicContact CD-CG1 4.35Å; K133-V196 HydrophobicContact CG-CG1 3.91Å; A136-V196 HydrophobicContact CB-CG2 4.01Å; C137-V196 HydrophobicContact CB-CG2 4.44Å; I140-V196 HydrophobicContact CD1-CG2 3.74Å; V192-V196 WeakPolarHBondContact O-CG2 3.5Å; V192-V196 PolarHBondContact O-N 3.35Å; V193-V196 PolarHBondContact O-N 3.03Å; D194-V196 VanDerWaalsContact C-N 3.33Å; D194-V196 PolarHBondContact O-N 3.45Å; V196-D198 PolarHBondContact O-N 2.7Å; V196-T199 PolarHBondContact O-N 3.43Å; V196-C200 PolarHBondContact O-N 3.29Å; V196-C200 PolarHBondContact O-SG 3.01Å
197	F	98.4	Very high	97.7	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.013	30%	0.295	C	S	.	.	H	α-helix	trans	-54	-55.6	-166.5	-171.8	-90	0	0	0	113.3	I140 Q167 V170 R171 V193 D194 T199 C200 F201	I140-F197 HydrophobicContact CD1-CB 4.43Å; I140-F197 HydrophobicContact CD1-CD2 4.03Å; I140-F197 HydrophobicContact CG1-CD2 4.4Å; I140-F197 HydrophobicContact CG2-CD2 4.39Å; I140-F197 HydrophobicContact CG2-CE2 4.44Å; Q167-F197 HydrophobicContact CB-CE1 4.31Å; Q167-F197 HydrophobicContact CB-CZ 3.91Å; Q167-F197 HydrophobicContact CG-CE1 4.22Å; Q167-F197 HydrophobicContact CG-CZ 4.15Å; V170-F197 HydrophobicContact CB-CE2 4.33Å; V170-F197 HydrophobicContact CG1-CE2 3.95Å; V170-F197 HydrophobicContact CG1-CZ 4.45Å; R171-F197 HydrophobicContact CB-CE2 4.34Å; R171-F197 HydrophobicContact CG-CD2 3.49Å; R171-F197 VanDerWaalsContact CG-CD2 3.49Å; R171-F197 HydrophobicContact CG-CE2 3.27Å; R171-F197 HydrophobicContact CG-CG 4.4Å; R171-F197 HydrophobicContact CG-CZ 4.02Å; R171-F197 VanDerWaalsContact NH1-CE1 3.26Å; R171-F197 VanDerWaalsContact NH1-CZ 3.28Å; V193-F197 HydrophobicContact CG1-CD2 4.45Å; V193-F197 WeakPolarHBondContact O-CA 3.36Å; V193-F197 VanDerWaalsContact O-CB 3.29Å; V193-F197 WeakPolarHBondContact O-CB 3.33Å; V193-F197 PolarHBondContact O-N 3.44Å; D194-F197 PolarHBondContact O-N 3.19Å; F197-T199 VanDerWaalsContact C-N 3.27Å; F197-T199 PolarHBondContact O-N 3.18Å; F197-C200 PolarHBondContact O-N 2.9Å; F197-F201 HydrophobicContact CD1-CB 4.11Å; F197-F201 HydrophobicContact CE1-CB 3.83Å; F197-F201 HydrophobicContact CE1-CD1 4.43Å; F197-F201 AromaticContact CE1-CD2 3.85Å; F197-F201 HydrophobicContact CE1-CD2 3.85Å; F197-F201 AromaticContact CE1-CG 3.77Å; F197-F201 HydrophobicContact CE1-CG 3.77Å; F197-F201 HydrophobicContact CE2-CD2 4.19Å; F197-F201 HydrophobicContact CZ-CB 4.09Å; F197-F201 AromaticContact CZ-CD2 3.45Å; F197-F201 HydrophobicContact CZ-CD2 3.45Å; F197-F201 VanDerWaalsContact CZ-CD2 3.45Å; F197-F201 HydrophobicContact CZ-CE2 4.1Å; F197-F201 AromaticContact CZ-CG 3.87Å; F197-F201 HydrophobicContact CZ-CG 3.87Å; F197-F201 WeakPolarHBondContact O-CB 3.49Å; F197-F201 PolarHBondContact O-N 3.33Å
198	D	97.9	Very high	97.6	Very high	111 Å²	111	54 Å²	54	59%	0.594	30%	0.296	S	S	*	.	H	α-helix	trans	-64.6	-34.7	-173.6	-71.4	-22.3	0	0	0	111.9	V196 N202	V196-D198 PolarHBondContact O-N 2.7Å; D198-N202 WeakPolarHBondContact O-CB 3.29Å; D198-N202 PolarHBondContact O-N 2.79Å; D198-N202 PolarHBondContact O-ND2 2.94Å
199	T	98.1	Very high	97.6	Very high	110 Å²	110	53.6 Å²	53.6	68%	0.675	29%	0.29	S	S	*	.	H	α-helix	trans	-68.4	-50.1	177.3	-60	0	0	0	0	110.6	V196 F197 D203	V196-T199 PolarHBondContact O-N 3.43Å; F197-T199 VanDerWaalsContact C-N 3.27Å; F197-T199 PolarHBondContact O-N 3.18Å; T199-D203 PolarHBondContact O-N 2.82Å
200	C	98.4	Very high	97.5	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-77.8	-32.4	-172	-57.7	0	0	0	0	112.8	C137 I140 R141 V196 F197 N202 D203	C137-C200 WeakPolarHBondContact CA-SG 3.23Å; C137-C200 HydrophobicContact CB-CB 3.95Å; C137-C200 WeakPolarHBondContact CB-SG 3.46Å; C137-C200 WeakPolarHBondContact SG-CB 3.33Å; C137-C200 CovalentContact SG-SG 2.02Å; C137-C200 PolarHBondContact SG-SG 3.47Å; I140-C200 HydrophobicContact CB-CB 4.16Å; I140-C200 HydrophobicContact CD1-CB 4.44Å; I140-C200 HydrophobicContact CG2-CB 3.91Å; R141-C200 HydrophobicContact CG-CB 4.47Å; R141-C200 WeakPolarHBondContact CG-O 3.49Å; V196-C200 PolarHBondContact O-N 3.29Å; V196-C200 PolarHBondContact O-SG 3.01Å; F197-C200 PolarHBondContact O-N 2.9Å; C200-N202 VanDerWaalsContact C-N 3.34Å; C200-D203 PolarHBondContact O-N 3.13Å
201	F	98.2	Very high	97.3	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-36.2	175.4	-176.2	-90	0	0	0	111.9	I140 N144 H166 Q167 V170 F197 D203 H204 I210	I140-F201 HydrophobicContact CG2-CB 4.2Å; N144-F201 HydrophobicContact CB-CD2 4.5Å; N144-F201 PolarHBondContact ND2-O 2.52Å; N144-F201 VanDerWaalsContact OD1-CE2 3.25Å; N144-F201 WeakPolarHBondContact OD1-CE2 3.03Å; H166-F201 AromaticContact CD2-CE2 3.85Å; H166-F201 AromaticContact CD2-CZ 3.89Å; Q167-F201 HydrophobicContact CG-CE1 4.24Å; Q167-F201 HydrophobicContact CG-CE2 3.93Å; Q167-F201 HydrophobicContact CG-CZ 3.74Å; V170-F201 HydrophobicContact CB-CD2 4.48Å; V170-F201 HydrophobicContact CB-CE2 4.44Å; V170-F201 HydrophobicContact CG1-CD2 4.16Å; V170-F201 HydrophobicContact CG2-CE2 4.16Å; F197-F201 HydrophobicContact CD1-CB 4.11Å; F197-F201 HydrophobicContact CE1-CB 3.83Å; F197-F201 HydrophobicContact CE1-CD1 4.43Å; F197-F201 AromaticContact CE1-CD2 3.85Å; F197-F201 HydrophobicContact CE1-CD2 3.85Å; F197-F201 AromaticContact CE1-CG 3.77Å; F197-F201 HydrophobicContact CE1-CG 3.77Å; F197-F201 HydrophobicContact CE2-CD2 4.19Å; F197-F201 HydrophobicContact CZ-CB 4.09Å; F197-F201 AromaticContact CZ-CD2 3.45Å; F197-F201 HydrophobicContact CZ-CD2 3.45Å; F197-F201 VanDerWaalsContact CZ-CD2 3.45Å; F197-F201 HydrophobicContact CZ-CE2 4.1Å; F197-F201 AromaticContact CZ-CG 3.87Å; F197-F201 HydrophobicContact CZ-CG 3.87Å; F197-F201 WeakPolarHBondContact O-CB 3.49Å; F197-F201 PolarHBondContact O-N 3.33Å; F201-D203 VanDerWaalsContact C-N 3.35Å; F201-H204 PolarHBondContact O-CD2 3Å; F201-H204 PolarHBondContact O-NE2 2.99Å; F201-I210 HydrophobicContact CE1-CD1 3.94Å; F201-I210 HydrophobicContact CE2-CD1 4.47Å; F201-I210 HydrophobicContact CZ-CD1 3.75Å
202	N	98.1	Very high	96.9	Very high	104 Å²	104	49 Å²	49	56%	0.556	27%	0.271	S	S	*	.	S	Bend	trans	-86.1	-5.3	179.8	-70.2	-56.6	0	0	0	113.6	D198 C200 H204	D198-N202 WeakPolarHBondContact O-CB 3.29Å; D198-N202 PolarHBondContact O-N 2.79Å; D198-N202 PolarHBondContact O-ND2 2.94Å; C200-N202 VanDerWaalsContact C-N 3.34Å; N202-H204 PolarHBondContact O-N 3.18Å
203	D	98.3	Very high	96.4	Very high	53 Å²	53	51.8 Å²	51.8	28%	0.283	29%	0.285	S	S	.	.			trans	-84.3	101.5	171.7	-168.9	-26.5	0	0	0	110.1	R123 R141 T199 C200 F201 A205	R123-D203 IonicContact CZ-OD1 3.56Å; R123-D203 IonicContact CZ-OD2 3.1Å; R123-D203 IonicContact NH1-OD2 2.94Å; R123-D203 IonicContact NH2-OD1 3.82Å; R123-D203 PolarHBondContact NH2-OD1 3.22Å; R123-D203 IonicContact NH2-OD2 3.82Å; R123-D203 PolarHBondContact NH2-OD2 3.49Å; R141-D203 IonicContact CZ-OD1 3.87Å; R141-D203 VanDerWaalsContact NH1-CB 3.3Å; R141-D203 PolarHBondContact NH1-O 2.91Å; R141-D203 IonicContact NH1-OD1 3.68Å; R141-D203 PolarHBondContact NH1-OD1 3.37Å; R141-D203 IonicContact NH1-OD2 2.69Å; R141-D203 PolarHBondContact NH1-OD2 2.97Å; T199-D203 PolarHBondContact O-N 2.82Å; C200-D203 PolarHBondContact O-N 3.13Å; F201-D203 VanDerWaalsContact C-N 3.35Å; D203-A205 WeakPolarHBondContact OD1-CB 3.41Å; D203-A205 PolarHBondContact OD1-N 2.94Å
204	H	97.9	Very high	96	Very high	47 Å²	47	57.7 Å²	57.7	22%	0.218	31%	0.31	C	S	.	.			trans	-98.1	10.9	-177.6	-52.6	150.9	0	0	0	113.8	F201 N202 F207 G208	F201-H204 PolarHBondContact O-CD2 3Å; F201-H204 PolarHBondContact O-NE2 2.99Å; N202-H204 PolarHBondContact O-N 3.18Å; H204-F207 CarbonylContact O-C 3.55Å; H204-F207 WeakPolarHBondContact O-CA 3.21Å; H204-F207 WeakPolarHBondContact O-CB 3.46Å; H204-F207 PolarHBondContact O-N 3.25Å; H204-G208 PolarHBondContact O-N 3.39Å
205	A	96.8	Very high	95.8	Very high	28 Å²	28	59.8 Å²	59.8	23%	0.231	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	138.9	178.3	0	0	0	0	0	111.1	F119 R141 D203	F119-A205 HydrophobicContact CE1-CB 4.24Å; R141-A205 PolarHBondContact NH2-O 2.8Å; D203-A205 WeakPolarHBondContact OD1-CB 3.41Å; D203-A205 PolarHBondContact OD1-N 2.94Å
206	P	96.8	Very high	95.6	Very high	23 Å²	23	56.7 Å²	56.7	15%	0.149	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	cis	-93.5	3.3	-0.1	19	-2.1	0	0	0	113.7	L56 L57 A60 F119 G208 F224	L56-P206 HydrophobicContact CD2-CB 3.74Å; L56-P206 HydrophobicContact CD2-CG 3.49Å; L56-P206 VanDerWaalsContact CD2-CG 3.49Å; L57-P206 HydrophobicContact CD2-CG 3.82Å; A60-P206 HydrophobicContact CB-CB 3.58Å; A60-P206 HydrophobicContact CB-CG 3.48Å; A60-P206 VanDerWaalsContact CB-CG 3.48Å; F119-P206 HydrophobicContact CD1-CG 3.99Å; F119-P206 HydrophobicContact CD2-CG 4.4Å; F119-P206 HydrophobicContact CE1-CB 4.13Å; F119-P206 VanDerWaalsContact CE1-CD 3.42Å; F119-P206 HydrophobicContact CE1-CG 3.5Å; F119-P206 HydrophobicContact CE2-CB 4.47Å; F119-P206 HydrophobicContact CE2-CG 4Å; F119-P206 HydrophobicContact CG-CG 4.4Å; F119-P206 HydrophobicContact CZ-CB 3.83Å; F119-P206 HydrophobicContact CZ-CG 3.52Å; P206-G208 VanDerWaalsContact C-N 3.35Å; P206-G208 PolarHBondContact O-N 2.87Å; P206-F224 HydrophobicContact CB-CE2 4.5Å
207	F	97.1	Very high	95.4	Very high	7 Å²	7	55.9 Å²	55.9	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-28.7	-176.3	-63.4	-84.9	0	0	0	114	Y53 L56 L57 T112 I116 L145 H204 R209 P211 A220	Y53-F207 AromaticContact CD1-CE1 3.77Å; Y53-F207 HydrophobicContact CD1-CE1 3.77Å; Y53-F207 HydrophobicContact CD1-CZ 4.02Å; Y53-F207 HydrophobicContact CG-CE1 4.34Å; L56-F207 HydrophobicContact CB-CE1 4.37Å; L56-F207 HydrophobicContact CD1-CD1 3.67Å; L56-F207 HydrophobicContact CD1-CE1 4.15Å; L56-F207 HydrophobicContact CD1-CG 4.29Å; L56-F207 HydrophobicContact CD2-CD1 3.89Å; L56-F207 HydrophobicContact CD2-CD2 4.4Å; L56-F207 HydrophobicContact CD2-CE1 3.9Å; L56-F207 HydrophobicContact CD2-CE2 4.42Å; L56-F207 HydrophobicContact CD2-CG 4.14Å; L56-F207 HydrophobicContact CD2-CZ 4.18Å; L56-F207 HydrophobicContact CG-CD1 4.32Å; L56-F207 HydrophobicContact CG-CE1 4.39Å; L57-F207 HydrophobicContact CD1-CE2 4.24Å; L57-F207 HydrophobicContact CD1-CZ 3.85Å; L57-F207 HydrophobicContact CD2-CE2 3.95Å; L57-F207 HydrophobicContact CD2-CZ 4.2Å; L57-F207 HydrophobicContact CG-CE2 4.09Å; L57-F207 HydrophobicContact CG-CZ 3.8Å; T112-F207 HydrophobicContact CG2-CZ 4.49Å; I116-F207 HydrophobicContact CG1-CE2 4.45Å; L145-F207 HydrophobicContact CB-CD2 4.09Å; L145-F207 HydrophobicContact CB-CE2 4.03Å; L145-F207 HydrophobicContact CD1-CD2 4.08Å; L145-F207 HydrophobicContact CD1-CE2 4.49Å; L145-F207 HydrophobicContact CD2-CD2 4.33Å; L145-F207 HydrophobicContact CG-CD2 4.4Å; H204-F207 CarbonylContact O-C 3.55Å; H204-F207 WeakPolarHBondContact O-CA 3.21Å; H204-F207 WeakPolarHBondContact O-CB 3.46Å; H204-F207 PolarHBondContact O-N 3.25Å; F207-R209 WeakPolarHBondContact CB-O 3.39Å; F207-R209 PolarHBondContact O-N 3.47Å; F207-P211 HydrophobicContact CB-CG 4.25Å; F207-P211 HydrophobicContact CD1-CG 3.65Å; F207-P211 HydrophobicContact CE1-CG 4.18Å; F207-P211 HydrophobicContact CG-CG 4.01Å; F207-A220 HydrophobicContact CB-CB 4.39Å; F207-A220 HydrophobicContact CD1-CB 4.24Å
208	G	95.8	Very high	95.3	Very high	62 Å²	62	61.4 Å²	61.4	64%	0.639	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	-2.1	-173.9	0	0	0	0	0	114.3	H204 P206	H204-G208 PolarHBondContact O-N 3.39Å; P206-G208 VanDerWaalsContact C-N 3.35Å; P206-G208 PolarHBondContact O-N 2.87Å
209	R	94.7	Very high	95.2	Very high	87 Å²	87	59.2 Å²	59.2	33%	0.328	31%	0.307	S	S	.	.	S	Bend	trans	-156.8	162.9	176.1	69.4	-169.9	70.5	169.6	2.1	109.7	F207 P211 A220 D223	F207-R209 WeakPolarHBondContact CB-O 3.39Å; F207-R209 PolarHBondContact O-N 3.47Å; R209-P211 VanDerWaalsContact O-CD 3.28Å; R209-P211 WeakPolarHBondContact O-CD 3.44Å; R209-A220 HydrophobicContact CG-CB 4.21Å; R209-D223 IonicContact CZ-OD2 3.68Å; R209-D223 IonicContact NH1-OD2 3.43Å; R209-D223 IonicContact NH2-OD2 3.85Å; R209-D223 PolarHBondContact NH2-OD2 3.47Å
210	I	95.6	Very high	95.2	Very high	24 Å²	24	54 Å²	54	12%	0.123	28%	0.275	C	S	.	.			trans	-78.9	116.6	167	-59.3	168.1	0	0	0	108.1	N144 L145 F201 H212	N144-I210 VanDerWaalsContact OD1-CD1 3.32Å; N144-I210 WeakPolarHBondContact OD1-CD1 3.42Å; L145-I210 HydrophobicContact CD2-CG1 4.3Å; F201-I210 HydrophobicContact CE1-CD1 3.94Å; F201-I210 HydrophobicContact CE2-CD1 4.47Å; F201-I210 HydrophobicContact CZ-CD1 3.75Å; I210-H212 PolarHBondContact O-N 3.1Å
211	P	93.9	Very high	95.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.013	28%	0.281	C	S	.	.			trans	-84.3	108.1	179.3	-3.4	22.5	0	0	0	110.2	Y53 F207 R209 D216 A217	Y53-P211 HydrophobicContact CD1-CB 4.46Å; Y53-P211 HydrophobicContact CD1-CG 4.22Å; Y53-P211 HydrophobicContact CE1-CB 3.55Å; Y53-P211 HydrophobicContact CE1-CG 3.65Å; Y53-P211 PolarHBondContact OH-O 2.99Å; F207-P211 HydrophobicContact CB-CG 4.25Å; F207-P211 HydrophobicContact CD1-CG 3.65Å; F207-P211 HydrophobicContact CE1-CG 4.18Å; F207-P211 HydrophobicContact CG-CG 4.01Å; R209-P211 VanDerWaalsContact O-CD 3.28Å; R209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-D216 HydrophobicContact CB-CB 4.35Å; P211-A217 HydrophobicContact CB-CB 3.88Å
212	H	88	Confident	94.9	Very high	105 Å²	105	60.9 Å²	60.9	49%	0.486	30%	0.3	S	S	.	.			trans	-78.8	-23.2	-176.3	-62.6	-64.2	0	0	0	113.6	I210 D216	I210-H212 PolarHBondContact O-N 3.1Å; H212-D216 IonicContact CD2-OD2 3.79Å
213	D	88.4	Confident	94.8	Very high	79 Å²	79	59 Å²	59	42%	0.422	29%	0.29	S	S	.	.	S	Bend	trans	-149.3	-179.7	176.5	69.9	35.5	0	0	0	112.9	Y53 K215 D216 A217	Y53-D213 PolarHBondContact OH-O 3.28Å; D213-K215 VanDerWaalsContact C-N 3.27Å; D213-K215 PolarHBondContact O-N 3.2Å; D213-K215 VanDerWaalsContact OD1-CA 3.29Å; D213-K215 WeakPolarHBondContact OD1-CA 3.4Å; D213-K215 WeakPolarHBondContact OD1-CB 3.28Å; D213-K215 PolarHBondContact OD1-N 3.19Å; D213-D216 PolarHBondContact O-N 3.33Å; D213-D216 PolarHBondContact OD1-N 3.44Å; D213-A217 PolarHBondContact O-N 3.4Å
214	K	89.5	Confident	94.6	Very high	127 Å²	127	57.8 Å²	57.8	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-62.8	-30.1	179.9	-172.5	174.6	-176.4	175	0	113.1	P52 K218	P52-K214 HydrophobicContact CG-CG 4.29Å; K214-K218 WeakPolarHBondContact O-CG 3.24Å; K214-K218 PolarHBondContact O-N 2.99Å; K214-K218 VanDerWaalsContact O-N 3.13Å
215	K	93.1	Very high	94.3	Very high	134 Å²	134	60.2 Å²	60.2	58%	0.583	29%	0.294	S	S	*	.	H	α-helix	trans	-73.7	-44.8	179	-171.7	-168.8	-179.1	-170.1	0	109.8	D213 A217 K218 F219	D213-K215 VanDerWaalsContact C-N 3.27Å; D213-K215 PolarHBondContact O-N 3.2Å; D213-K215 VanDerWaalsContact OD1-CA 3.29Å; D213-K215 WeakPolarHBondContact OD1-CA 3.4Å; D213-K215 WeakPolarHBondContact OD1-CB 3.28Å; D213-K215 PolarHBondContact OD1-N 3.19Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-A217 PolarHBondContact O-N 3.12Å; K215-K218 WeakPolarHBondContact O-CB 3.37Å; K215-K218 PolarHBondContact O-N 3.37Å; K215-K218 VanDerWaalsContact O-N 3.16Å; K215-F219 HydrophobicContact CD-CE2 4.04Å; K215-F219 HydrophobicContact CG-CD2 4.2Å; K215-F219 HydrophobicContact CG-CE2 3.7Å; K215-F219 HydrophobicContact CG-CZ 4.43Å; K215-F219 VanDerWaalsContact O-CD2 3.25Å; K215-F219 WeakPolarHBondContact O-CD2 3.34Å; K215-F219 PolarHBondContact O-N 2.99Å
216	D	93.6	Very high	94	Very high	46 Å²	46	60.7 Å²	60.7	25%	0.246	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-42.7	175.2	-73.9	-8.1	0	0	0	111.6	P211 H212 D213 K218 F219 A220	P211-D216 HydrophobicContact CB-CB 4.35Å; H212-D216 IonicContact CD2-OD2 3.79Å; D213-D216 PolarHBondContact O-N 3.33Å; D213-D216 PolarHBondContact OD1-N 3.44Å; D216-K218 VanDerWaalsContact C-N 3.34Å; D216-K218 PolarHBondContact O-N 3.3Å; D216-F219 WeakPolarHBondContact O-CB 3.39Å; D216-F219 PolarHBondContact O-N 3.5Å; D216-F219 VanDerWaalsContact O-N 3.14Å; D216-A220 PolarHBondContact O-N 3.33Å
217	A	95.3	Very high	93.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-36.9	175.4	0	0	0	0	0	113	P52 Y53 P211 D213 K215 F219 A220 Y221	P52-A217 HydrophobicContact CB-CB 4.17Å; P52-A217 HydrophobicContact CG-CB 3.68Å; Y53-A217 HydrophobicContact CD1-CB 4.17Å; Y53-A217 HydrophobicContact CD2-CB 3.47Å; Y53-A217 VanDerWaalsContact CD2-CB 3.47Å; Y53-A217 HydrophobicContact CE1-CB 3.94Å; Y53-A217 HydrophobicContact CE2-CB 3.17Å; Y53-A217 HydrophobicContact CG-CB 3.96Å; Y53-A217 VanDerWaalsContact CZ-CB 3.44Å; P211-A217 HydrophobicContact CB-CB 3.88Å; D213-A217 PolarHBondContact O-N 3.4Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-A217 PolarHBondContact O-N 3.12Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-A220 PolarHBondContact O-N 3.03Å; A217-Y221 WeakPolarHBondContact O-CB 3.49Å; A217-Y221 PolarHBondContact O-N 3.31Å
218	K	96.3	Very high	92.5	Very high	119 Å²	119	68.3 Å²	68.3	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-39.7	172.2	-77.7	176.2	179.6	-174.5	0	111.8	P52 K214 K215 D216 Y221 R222	P52-K218 HydrophobicContact CB-CB 4.47Å; P52-K218 HydrophobicContact CB-CG 3.88Å; P52-K218 HydrophobicContact CG-CG 3.96Å; K214-K218 WeakPolarHBondContact O-CG 3.24Å; K214-K218 PolarHBondContact O-N 2.99Å; K214-K218 VanDerWaalsContact O-N 3.13Å; K215-K218 WeakPolarHBondContact O-CB 3.37Å; K215-K218 PolarHBondContact O-N 3.37Å; K215-K218 VanDerWaalsContact O-N 3.16Å; D216-K218 VanDerWaalsContact C-N 3.34Å; D216-K218 PolarHBondContact O-N 3.3Å; K218-Y221 PolarHBondContact O-N 3.14Å; K218-R222 WeakPolarHBondContact O-CB 3.46Å; K218-R222 PolarHBondContact O-N 3.42Å
219	F	96.1	Very high	91.3	Very high	65 Å²	65	72.9 Å²	72.9	29%	0.285	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-45.8	175.4	-71.8	-56.8	0	0	0	111.6	K215 D216 A217 Y221 R222 D223	K215-F219 HydrophobicContact CD-CE2 4.04Å; K215-F219 HydrophobicContact CG-CD2 4.2Å; K215-F219 HydrophobicContact CG-CE2 3.7Å; K215-F219 HydrophobicContact CG-CZ 4.43Å; K215-F219 VanDerWaalsContact O-CD2 3.25Å; K215-F219 WeakPolarHBondContact O-CD2 3.34Å; K215-F219 PolarHBondContact O-N 2.99Å; D216-F219 WeakPolarHBondContact O-CB 3.39Å; D216-F219 PolarHBondContact O-N 3.5Å; D216-F219 VanDerWaalsContact O-N 3.14Å; A217-F219 VanDerWaalsContact C-N 3.33Å; F219-Y221 VanDerWaalsContact C-N 3.32Å; F219-Y221 PolarHBondContact O-N 3.06Å; F219-R222 PolarHBondContact O-N 2.86Å; F219-D223 WeakPolarHBondContact O-CB 3.44Å; F219-D223 PolarHBondContact O-N 3.49Å
220	A	96.5	Very high	89.5	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-56.6	-46	174.5	0	0	0	0	0	111.7	L56 F207 R209 D216 A217 D223 F224	L56-A220 HydrophobicContact CD1-CB 4.03Å; F207-A220 HydrophobicContact CB-CB 4.39Å; F207-A220 HydrophobicContact CD1-CB 4.24Å; R209-A220 HydrophobicContact CG-CB 4.21Å; D216-A220 PolarHBondContact O-N 3.33Å; A217-A220 PolarHBondContact O-N 3.03Å; A220-D223 PolarHBondContact O-N 3.04Å; A220-F224 WeakPolarHBondContact O-CB 3.45Å; A220-F224 PolarHBondContact O-N 3.22Å
221	Y	96.5	Very high	87.7	Confident	40 Å²	40	81 Å²	81	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-48.5	176.2	178.4	-123.5	0	0	0	113	K55 L56 A217 K218 F219 D223 F224 E225	K55-Y221 HydrophobicContact CB-CD2 4.19Å; K55-Y221 HydrophobicContact CB-CE1 4.37Å; K55-Y221 HydrophobicContact CB-CE2 3.76Å; K55-Y221 HydrophobicContact CD-CE1 4.31Å; K55-Y221 WeakPolarHBondContact CE-OH 3.46Å; L56-Y221 HydrophobicContact CB-CD2 3.79Å; L56-Y221 HydrophobicContact CB-CG 4.46Å; A217-Y221 WeakPolarHBondContact O-CB 3.49Å; A217-Y221 PolarHBondContact O-N 3.31Å; K218-Y221 PolarHBondContact O-N 3.14Å; F219-Y221 VanDerWaalsContact C-N 3.32Å; F219-Y221 PolarHBondContact O-N 3.06Å; Y221-D223 VanDerWaalsContact C-N 3.31Å; Y221-D223 PolarHBondContact O-N 3.2Å; Y221-F224 WeakPolarHBondContact O-CB 3.28Å; Y221-F224 PolarHBondContact O-N 3.01Å; Y221-E225 HydrophobicContact CD2-CG 4.23Å; Y221-E225 HydrophobicContact CE1-CG 4.42Å; Y221-E225 WeakPolarHBondContact CE1-OE2 3.14Å; Y221-E225 HydrophobicContact CE2-CG 3.77Å; Y221-E225 PolarHBondContact O-N 2.79Å; Y221-E225 VanDerWaalsContact OH-CD 3.26Å; Y221-E225 PolarHBondContact OH-OE1 2.79Å
222	R	95.3	Very high	85.9	Confident	126 Å²	126	84.6 Å²	84.6	48%	0.475	40%	0.396	S	S	.	.	H	α-helix	trans	-61.4	-41.5	177.8	-175.1	-175.7	68	-178.9	2.4	111.7	K218 F219 F224 E225 N226	K218-R222 WeakPolarHBondContact O-CB 3.46Å; K218-R222 PolarHBondContact O-N 3.42Å; F219-R222 PolarHBondContact O-N 2.86Å; R222-F224 VanDerWaalsContact C-N 3.35Å; R222-E225 PolarHBondContact O-N 3Å; R222-N226 WeakPolarHBondContact O-CB 3.11Å; R222-N226 PolarHBondContact O-N 3.22Å; R222-N226 VanDerWaalsContact O-N 3.1Å; R222-N226 PolarHBondContact O-ND2 2.96Å
223	D	94.5	Very high	84.2	Confident	65 Å²	65	86.5 Å²	86.5	35%	0.348	41%	0.41	S	S	.	.	H	α-helix	trans	-69.1	-38.3	-179.1	-66.4	-5.2	0	0	0	110.6	R209 F219 A220 Y221 N226 R227	R209-D223 IonicContact CZ-OD2 3.68Å; R209-D223 IonicContact NH1-OD2 3.43Å; R209-D223 IonicContact NH2-OD2 3.85Å; R209-D223 PolarHBondContact NH2-OD2 3.47Å; F219-D223 WeakPolarHBondContact O-CB 3.44Å; F219-D223 PolarHBondContact O-N 3.49Å; A220-D223 PolarHBondContact O-N 3.04Å; Y221-D223 VanDerWaalsContact C-N 3.31Å; Y221-D223 PolarHBondContact O-N 3.2Å; D223-N226 PolarHBondContact O-N 3.37Å; D223-R227 PolarHBondContact O-N 3.08Å
224	F	94.2	Very high	82.1	Confident	26 Å²	26	92.8 Å²	92.8	11%	0.114	44%	0.442	C	S	.	.	H	α-helix	trans	-59.1	-48.2	169.8	173.4	-97.8	0	0	0	112	L56 A60 P206 A220 Y221 R222 N226 R227	L56-F224 HydrophobicContact CD1-CB 3.9Å; L56-F224 HydrophobicContact CD1-CG 4.4Å; L56-F224 HydrophobicContact CG-CB 4.11Å; L56-F224 HydrophobicContact CG-CD1 4.26Å; L56-F224 HydrophobicContact CG-CG 4.07Å; A60-F224 HydrophobicContact CB-CE2 3.81Å; A60-F224 HydrophobicContact CB-CZ 3.75Å; A60-F224 VanDerWaalsContact N-CZ 3.28Å; P206-F224 HydrophobicContact CB-CE2 4.5Å; A220-F224 WeakPolarHBondContact O-CB 3.45Å; A220-F224 PolarHBondContact O-N 3.22Å; Y221-F224 WeakPolarHBondContact O-CB 3.28Å; Y221-F224 PolarHBondContact O-N 3.01Å; R222-F224 VanDerWaalsContact C-N 3.35Å; F224-N226 PolarHBondContact O-N 2.58Å; F224-R227 WeakPolarHBondContact O-CB 3.35Å; F224-R227 WeakPolarHBondContact O-CD 3.27Å; F224-R227 WeakPolarHBondContact O-CG 3.41Å; F224-R227 PolarHBondContact O-N 2.97Å; F224-R227 PolarHBondContact O-NH1 3.47Å
225	E	92.8	Very high	81.8	Confident	99 Å²	99	91.1 Å²	91.1	46%	0.463	44%	0.437	S	S	.	.	H	α-helix	trans	-61.5	-26.9	177.7	-73.4	-170.7	130.5	0	0	113.2	Y221 R222	Y221-E225 HydrophobicContact CD2-CG 4.23Å; Y221-E225 HydrophobicContact CE1-CG 4.42Å; Y221-E225 WeakPolarHBondContact CE1-OE2 3.14Å; Y221-E225 HydrophobicContact CE2-CG 3.77Å; Y221-E225 PolarHBondContact O-N 2.79Å; Y221-E225 VanDerWaalsContact OH-CD 3.26Å; Y221-E225 PolarHBondContact OH-OE1 2.79Å; R222-E225 PolarHBondContact O-N 3Å
226	N	90.8	Very high	81.2	Confident	37 Å²	37	88.8 Å²	88.8	20%	0.198	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-2.6	-177.9	-66	-28.5	0	0	0	114.1	R222 D223 F224 D228 R229	R222-N226 WeakPolarHBondContact O-CB 3.11Å; R222-N226 PolarHBondContact O-N 3.22Å; R222-N226 VanDerWaalsContact O-N 3.1Å; R222-N226 PolarHBondContact O-ND2 2.96Å; D223-N226 PolarHBondContact O-N 3.37Å; F224-N226 PolarHBondContact O-N 2.58Å; N226-D228 VanDerWaalsContact C-N 3.26Å; N226-D228 PolarHBondContact O-N 3.16Å; N226-R229 WeakPolarHBondContact O-CB 3.28Å; N226-R229 PolarHBondContact O-N 3.33Å; N226-R229 VanDerWaalsContact O-N 3.07Å; N226-R229 PolarHBondContact OD1-NE 3.42Å; N226-R229 PolarHBondContact OD1-NH1 3.02Å; N226-R229 PolarHBondContact OD1-NH2 2.87Å; N226-R229 VanDerWaalsContact OD1-NH2 3.16Å
227	R	84.9	Confident	80.5	Confident	96 Å²	96	91.2 Å²	91.2	36%	0.362	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36	-171.1	73	-170.5	177.6	-92.6	10.1	114	S63 D223 F224	S63-R227 PolarHBondContact OG-NH2 3.47Å; D223-R227 PolarHBondContact O-N 3.08Å; F224-R227 WeakPolarHBondContact O-CB 3.35Å; F224-R227 WeakPolarHBondContact O-CD 3.27Å; F224-R227 WeakPolarHBondContact O-CG 3.41Å; F224-R227 PolarHBondContact O-N 2.97Å; F224-R227 PolarHBondContact O-NH1 3.47Å
228	D	76.3	Confident	79.6	Confident	94 Å²	94	96.5 Å²	96.5	50%	0.503	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.9	-176.2	-58.5	-46.2	0	0	0	113	N226 Y230 S231 A232	N226-D228 VanDerWaalsContact C-N 3.26Å; N226-D228 PolarHBondContact O-N 3.16Å; D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 3.02Å; D228-S231 PolarHBondContact O-N 3.01Å; D228-A232 PolarHBondContact O-N 2.87Å; D228-A232 VanDerWaalsContact O-N 3.17Å
229	R	70.9	Confident	78.6	Confident	159 Å²	159	95.1 Å²	95.1	60%	0.6	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.9	-178.4	-70.7	-173.3	178.4	179	4.1	113.4	N226 N233	N226-R229 WeakPolarHBondContact O-CB 3.28Å; N226-R229 PolarHBondContact O-N 3.33Å; N226-R229 VanDerWaalsContact O-N 3.07Å; N226-R229 PolarHBondContact OD1-NE 3.42Å; N226-R229 PolarHBondContact OD1-NH1 3.02Å; N226-R229 PolarHBondContact OD1-NH2 2.87Å; N226-R229 VanDerWaalsContact OD1-NH2 3.16Å; R229-N233 PolarHBondContact O-ND2 2.85Å
230	Y	57.6	Low	77.4	Confident	198 Å²	198	97.1 Å²	97.1	78%	0.776	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-31.9	177.4	-70.3	-78.5	0	0	0	112.1	D228	D228-Y230 VanDerWaalsContact C-N 3.26Å; D228-Y230 PolarHBondContact O-N 3.02Å
231	S	57.5	Low	76	Confident	82 Å²	82	104 Å²	104	57%	0.573	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-80.8	-17.5	178.8	-48.3	0	0	0	0	113.6	D228 N233	D228-S231 PolarHBondContact O-N 3.01Å; S231-N233 VanDerWaalsContact C-N 3.34Å
232	A	56.2	Low	74.5	Confident	79 Å²	79	108.9 Å²	108.9	65%	0.653	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-83.5	-5.7	178.1	0	0	0	0	0	114.3	D228	D228-A232 PolarHBondContact O-N 2.87Å; D228-A232 VanDerWaalsContact O-N 3.17Å
233	N	51.1	Low	72.7	Confident	144 Å²	144	107.5 Å²	107.5	77%	0.77	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-111.9	12	179.9	-70	-52.3	0	0	0	113	R229 S231	R229-N233 PolarHBondContact O-ND2 2.85Å; S231-N233 VanDerWaalsContact C-N 3.34Å
234	L	46.2	Very low	70.8	Confident	211 Å²	211	111.4 Å²	111.4	100%	1.105	56%	0.556	S	S	*	*			trans	-110.5	0	171.2	-72.3	168.3	0	0	0	108.9

Retrieved 234 of 234 residues in 1476.3 ms (Link to these results)

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