A0A060VG47_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VG47, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 206 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	36.1	Very low	51.4	Low	236 Å²	236	132.2 Å²	132.2	100%	1.163	73%	0.728	S	S	*	*				0	106.1	0	-87.8	176.1	-92.3	0	0	107.8	V3	M1-V3 PolarHBondContact O-N 3.38Å
2	A	43.7	Very low	51.9	Low	104 Å²	104	131.8 Å²	131.8	86%	0.86	72%	0.722	S	S	*	*			trans	-77.6	111	173.9	0	0	0	0	0	107.9	M4	A2-M4 PolarHBondContact O-N 3.13Å; A2-M4 VanDerWaalsContact O-N 3.12Å
3	V	47.5	Very low	52	Low	138 Å²	138	129.4 Å²	129.4	84%	0.836	71%	0.707	S	S	*	*			trans	-74.5	102.7	174.5	-179.9	0	0	0	0	107	M1 A5	M1-V3 PolarHBondContact O-N 3.38Å; V3-A5 PolarHBondContact O-N 3.12Å; V3-A5 VanDerWaalsContact O-N 3.13Å
4	M	49.3	Very low	52.2	Low	178 Å²	178	127.2 Å²	127.2	88%	0.877	69%	0.694	S	S	*	*			trans	-75.1	98.5	176.2	-159.4	173.8	61	0	0	107.6	A2	A2-M4 PolarHBondContact O-N 3.13Å; A2-M4 VanDerWaalsContact O-N 3.12Å
5	A	55.2	Low	52.4	Low	75 Å²	75	121.1 Å²	121.1	62%	0.62	67%	0.672	S	S	*	*			trans	-56.1	135.9	173.6	0	0	0	0	0	109.3	V3 R7	V3-A5 PolarHBondContact O-N 3.12Å; V3-A5 VanDerWaalsContact O-N 3.13Å; A5-R7 PolarHBondContact O-N 3.2Å
6	P	51.3	Low	52.4	Low	73 Å²	73	117 Å²	117	47%	0.474	66%	0.659	S	S	.	*			trans	-65.8	123.3	-177.6	2.2	8.7	0	0	0	108.5	T8 L9	P6-T8 PolarHBondContact O-N 3.07Å; P6-L9 HydrophobicContact CG-CB 4.35Å; P6-L9 WeakPolarHBondContact O-CB 3.49Å; P6-L9 PolarHBondContact O-N 3.4Å
7	R	56.5	Low	52.2	Low	218 Å²	218	115.8 Å²	115.8	82%	0.823	65%	0.65	S	S	*	*	H	α-helix	trans	-49.1	-28.1	176.2	-87.8	177	161.1	137.6	-5.2	113.2	A5 L10 L11	A5-R7 PolarHBondContact O-N 3.2Å; R7-L10 PolarHBondContact O-N 2.86Å; R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 2.97Å
8	T	57.1	Low	52.1	Low	99 Å²	99	112.3 Å²	112.3	61%	0.607	64%	0.638	S	S	*	*	H	α-helix	trans	-65.6	-37.1	175	2.6	0	0	0	0	113.6	P6 L12	P6-T8 PolarHBondContact O-N 3.07Å; T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 3.46Å; T8-L12 VanDerWaalsContact O-N 3.17Å
9	L	53.2	Low	51.7	Low	105 Å²	105	113.4 Å²	113.4	55%	0.55	64%	0.641	S	S	.	*	H	α-helix	trans	-70	-36.3	177.3	-136.8	96.7	0	0	0	111.1	P6 L12 L13	P6-L9 HydrophobicContact CG-CB 4.35Å; P6-L9 WeakPolarHBondContact O-CB 3.49Å; P6-L9 PolarHBondContact O-N 3.4Å; L9-L12 PolarHBondContact O-N 3.17Å; L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.19Å; L9-L13 VanDerWaalsContact O-N 3.07Å
10	L	55.4	Low	51.3	Low	112 Å²	112	112.4 Å²	112.4	59%	0.586	64%	0.638	S	S	*	*	H	α-helix	trans	-66.9	-38.7	177.2	-160.8	75.9	0	0	0	112	R7 L13 L14	R7-L10 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 3.41Å; L10-L14 HydrophobicContact CG-CD1 4.46Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 WeakPolarHBondContact O-CD1 3.39Å; L10-L14 WeakPolarHBondContact O-CG 3.24Å; L10-L14 PolarHBondContact O-N 2.92Å
11	L	60.2	Low	50.8	Low	116 Å²	116	114.1 Å²	114.1	61%	0.607	64%	0.64	S	S	*	*	H	α-helix	trans	-69.3	-37.1	176.1	-72.5	165	0	0	0	112.7	R7 L14 G15	R7-L11 WeakPolarHBondContact O-CG 3.42Å; R7-L11 PolarHBondContact O-N 2.97Å; L11-L14 PolarHBondContact O-N 3.43Å; L11-G15 PolarHBondContact O-N 3.48Å
12	L	57.2	Low	51.4	Low	127 Å²	127	107.8 Å²	107.8	67%	0.665	62%	0.615	S	S	*	*	H	α-helix	trans	-66.7	-39.1	174.3	-73.7	166.4	0	0	0	112	T8 L9 G15 A16	T8-L12 WeakPolarHBondContact O-CG 3.45Å; T8-L12 PolarHBondContact O-N 3.46Å; T8-L12 VanDerWaalsContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.17Å; L12-G15 PolarHBondContact O-N 3.02Å; L12-A16 PolarHBondContact O-N 3.46Å
13	L	53.2	Low	51.7	Low	101 Å²	101	111.3 Å²	111.3	53%	0.529	61%	0.606	S	S	.	*	H	α-helix	trans	-66.8	-39.3	173.9	-78.2	160.4	0	0	0	112.3	L9 L10 A16 L17	L9-L13 WeakPolarHBondContact O-CD1 3.49Å; L9-L13 WeakPolarHBondContact O-CG 3.37Å; L9-L13 PolarHBondContact O-N 3.19Å; L9-L13 VanDerWaalsContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 3.41Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3.34Å
14	L	55.7	Low	52.4	Low	99 Å²	99	108.4 Å²	108.4	52%	0.518	60%	0.597	S	S	.	*	H	α-helix	trans	-66.3	-37.6	173.8	-78.1	160.8	0	0	0	112.4	L10 L11 L17 A18	L10-L14 HydrophobicContact CG-CD1 4.46Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 WeakPolarHBondContact O-CD1 3.39Å; L10-L14 WeakPolarHBondContact O-CG 3.24Å; L10-L14 PolarHBondContact O-N 2.92Å; L11-L14 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 2.83Å; L14-A18 WeakPolarHBondContact O-CB 3.49Å; L14-A18 PolarHBondContact O-N 2.99Å
15	G	55.1	Low	53.7	Low	36 Å²	36	101.6 Å²	101.6	37%	0.371	57%	0.572	S	S	.	*	H	α-helix	trans	-64.9	-39.9	173.8	0	0	0	0	0	113	L11 L12 A18 L19	L11-G15 PolarHBondContact O-N 3.48Å; L12-G15 PolarHBondContact O-N 3.02Å; G15-A18 PolarHBondContact O-N 2.95Å; G15-L19 WeakPolarHBondContact O-CD1 3.41Å; G15-L19 PolarHBondContact O-N 3.46Å
16	A	52.4	Low	55.5	Low	55 Å²	55	99.3 Å²	99.3	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-40.2	174.8	0	0	0	0	0	112.4	L12 L13 L19 T20	L12-A16 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 2.98Å; A16-L19 PolarHBondContact O-N 3.42Å; A16-T20 PolarHBondContact O-N 2.95Å; A16-T20 VanDerWaalsContact O-N 3.13Å; A16-T20 PolarHBondContact O-OG1 3.49Å
17	L	49.1	Very low	57.7	Low	96 Å²	96	97.3 Å²	97.3	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-64.9	-38.7	174.9	-82.4	158.3	0	0	0	112.4	L13 L14 T20 Q21	L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3.34Å; L14-L17 PolarHBondContact O-N 2.83Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 3.2Å; L17-Q21 WeakPolarHBondContact O-CB 3.38Å; L17-Q21 PolarHBondContact O-N 3.38Å
18	A	49.9	Very low	59.7	Low	54 Å²	54	88.2 Å²	88.2	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-38.3	176.3	0	0	0	0	0	112.4	L14 G15 Q21 T22	L14-A18 WeakPolarHBondContact O-CB 3.49Å; L14-A18 PolarHBondContact O-N 2.99Å; G15-A18 PolarHBondContact O-N 2.95Å; A18-Q21 PolarHBondContact O-N 3.31Å; A18-T22 WeakPolarHBondContact O-CG2 3.47Å; A18-T22 PolarHBondContact O-N 3.29Å
19	L	43.6	Very low	61.7	Low	132 Å²	132	83.5 Å²	83.5	69%	0.691	48%	0.477	S	S	*	.	H	α-helix	trans	-66.1	-41.7	173.5	-96.7	117.9	0	0	0	111.9	G15 A16 Q21 T22	G15-L19 WeakPolarHBondContact O-CD1 3.41Å; G15-L19 PolarHBondContact O-N 3.46Å; A16-L19 PolarHBondContact O-N 3.42Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.24Å; L19-T22 PolarHBondContact O-N 2.84Å; L19-T22 PolarHBondContact O-OG1 3.11Å
20	T	43.7	Very low	63.8	Low	93 Å²	93	81 Å²	81	57%	0.571	46%	0.46	S	S	*	.	H	α-helix	trans	-68.9	-29.4	177.6	54.6	0	0	0	0	113.6	A16 L17 T22	A16-T20 PolarHBondContact O-N 2.95Å; A16-T20 VanDerWaalsContact O-N 3.13Å; A16-T20 PolarHBondContact O-OG1 3.49Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 3.2Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 2.9Å
21	Q	42.3	Very low	65.9	Low	149 Å²	149	76.2 Å²	76.2	70%	0.696	43%	0.434	S	S	*	.	H	α-helix	trans	-76.4	-16.9	179.1	-84.1	-177.7	-9	0	0	114	L17 A18 L19 W23	L17-Q21 WeakPolarHBondContact O-CB 3.38Å; L17-Q21 PolarHBondContact O-N 3.38Å; A18-Q21 PolarHBondContact O-N 3.31Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.24Å; Q21-W23 VanDerWaalsContact C-N 3.33Å
22	T	47.1	Very low	67.7	Low	103 Å²	103	74.6 Å²	74.6	63%	0.632	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.2	-178.7	53.3	0	0	0	0	114.4	A18 L19 T20	A18-T22 WeakPolarHBondContact O-CG2 3.47Å; A18-T22 PolarHBondContact O-N 3.29Å; L19-T22 PolarHBondContact O-N 2.84Å; L19-T22 PolarHBondContact O-OG1 3.11Å; T20-T22 VanDerWaalsContact C-N 3.33Å; T20-T22 PolarHBondContact O-N 2.9Å
23	W	51	Low	69.7	Low	178 Å²	178	68.7 Å²	68.7	67%	0.674	39%	0.392	S	S	*	.	S	Bend	trans	-117.2	-1.6	-178.3	-74.1	73.2	0	0	0	114.1	Q21 G25 S26	Q21-W23 VanDerWaalsContact C-N 3.33Å; W23-G25 PolarHBondContact O-N 3.41Å; W23-S26 VanDerWaalsContact CE3-OG 3.27Å; W23-S26 PolarHBondContact O-N 3.45Å; W23-S26 PolarHBondContact O-OG 3.46Å
24	A	61.5	Low	71.9	Confident	77 Å²	77	65.8 Å²	65.8	64%	0.636	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	102.7	172.1	0	0	0	0	0	109.1
25	G	77.8	Confident	73.9	Confident	35 Å²	35	61 Å²	61	36%	0.361	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	5.9	177.4	0	0	0	0	0	116.4	W23 H27 S129	W23-G25 PolarHBondContact O-N 3.41Å; G25-H27 PolarHBondContact O-CD2 3.47Å; G25-S129 WeakPolarHBondContact O-CA 3.47Å; G25-S129 PolarHBondContact O-N 3.13Å
26	S	92.8	Very high	76	Confident	28 Å²	28	61.4 Å²	61.4	20%	0.196	35%	0.349	C	S	.	.			trans	-75.7	146.5	165.6	58.2	0	0	0	0	110.6	W23 V127	W23-S26 VanDerWaalsContact CE3-OG 3.27Å; W23-S26 PolarHBondContact O-N 3.45Å; W23-S26 PolarHBondContact O-OG 3.46Å; S26-V127 CarbonylContact C-O 3.58Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.47Å; S26-V127 WeakPolarHBondContact CB-O 3.43Å
27	H	96.7	Very high	78.2	Confident	30 Å²	30	59.7 Å²	59.7	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.7	178.5	-67.2	-77.9	0	0	0	111.2	G25 D53 D126 V127 L192 L196	G25-H27 PolarHBondContact O-CD2 3.47Å; H27-D53 WeakPolarHBondContact CA-OD1 3.19Å; H27-D53 IonicContact CE1-OD2 3.07Å; H27-D53 IonicContact CG-OD1 3.44Å; H27-D53 IonicContact CG-OD2 3.76Å; H27-D53 IonicContact ND1-OD1 2.71Å; H27-D53 IonicContact ND1-OD2 3.5Å; H27-D53 PolarHBondContact ND1-OD2 2.77Å; H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.42Å; H27-V127 HydrophobicContact CB-CG2 3.94Å; H27-V127 PolarHBondContact N-O 3.49Å; H27-V127 PolarHBondContact O-N 3.26Å; H27-L192 HydrophobicContact CB-CD1 4.36Å; H27-L192 HydrophobicContact CB-CD2 4.5Å; H27-L196 HydrophobicContact CB-CD1 3.62Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 VanDerWaalsContact ND1-CD2 3.33Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.25Å
28	S	98.2	Very high	80.4	Confident	27 Å²	27	58.2 Å²	58.2	19%	0.189	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.5	178.5	63.7	0	0	0	0	112	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 3Å; S28-C125 WeakPolarHBondContact CA-O 3.45Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å
29	M	98.7	Very high	82.5	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.2	164.9	-172.3	168.7	68.3	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.01Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; M29-Y51 CarbonylContact C-O 3.46Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.25Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; M29-F57 HydrophobicContact CG-CE1 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.42Å; M29-C125 PolarHBondContact N-O 3.1Å; M29-C125 PolarHBondContact O-N 3.33Å; M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; M29-W191 HydrophobicContact CE-CB 4.13Å; M29-W191 HydrophobicContact SD-CB 4.46Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å
30	R	98.7	Very high	84.8	Confident	51 Å²	51	56.3 Å²	56.3	19%	0.192	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.8	-179.7	-60.7	-64	177.1	84.2	12.3	110.9	F32 G50 Y51 Y123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 4.01Å; R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 2.85Å; R30-Y123 WeakPolarHBondContact CA-O 3.39Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 2.74Å; R30-D126 IonicContact NH2-OD1 2.69Å; R30-D126 PolarHBondContact NH2-OD1 2.92Å; R30-D126 IonicContact NH2-OD2 3.11Å; R30-D126 PolarHBondContact NH2-OD2 3.34Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.44Å; R30-Y137 PolarHBondContact NH2-OH 2.87Å; R30-Y137 VanDerWaalsContact NH2-OH 3.15Å
31	Y	98.8	Very high	87.2	Confident	12 Å²	12	62.2 Å²	62.2	5%	0.047	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.5	167.6	-71.9	-88.5	0	0	0	109.4	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.01Å; M29-Y31 HydrophobicContact CG-CE2 4.1Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; Y31-V49 CarbonylContact C-O 3.51Å; Y31-V49 VanDerWaalsContact CA-O 3.32Å; Y31-V49 WeakPolarHBondContact CA-O 3.06Å; Y31-F57 HydrophobicContact CE1-CZ 4.16Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; Y31-V58 HydrophobicContact CE1-CG2 3.92Å; Y31-M122 WeakPolarHBondContact O-CA 3.29Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.73Å; Y31-Y123 HydrophobicContact CD2-CE2 3.73Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.06Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 2.94Å; Y31-Y123 PolarHBondContact O-N 3.44Å
32	F	98.8	Very high	89.5	Confident	83 Å²	83	58 Å²	58	36%	0.364	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.1	174.9	-57.6	-96.6	0	0	0	108.4	R30 A48 V49 Y51 M121 M122	R30-F32 HydrophobicContact CB-CD2 4.43Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 4.01Å; F32-A48 CarbonylContact O-C 3.55Å; F32-A48 VanDerWaalsContact O-CA 3.3Å; F32-A48 WeakPolarHBondContact O-CA 3.28Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.49Å; F32-V49 PolarHBondContact N-O 2.75Å; F32-V49 PolarHBondContact O-N 2.81Å; F32-Y51 HydrophobicContact CD2-CD2 4.02Å; F32-Y51 HydrophobicContact CD2-CE2 4.37Å; F32-Y51 AromaticContact CE2-CD2 3.97Å; F32-Y51 HydrophobicContact CE2-CD2 3.97Å; F32-M121 CarbonylContact C-O 3.59Å; F32-M121 WeakPolarHBondContact CA-O 3.42Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 3.99Å; F32-M122 HydrophobicContact CE1-CG 3.32Å; F32-M122 HydrophobicContact CG-CG 4.5Å; F32-M122 HydrophobicContact CZ-CG 3.9Å
33	T	98.8	Very high	91.8	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.8	170.3	72	0	0	0	0	110.1	F46 I47 A48 Q120 M121	T33-F46 HydrophobicContact CG2-CE2 4.14Å; T33-F46 HydrophobicContact CG2-CZ 3.69Å; T33-I47 CarbonylContact C-O 3.48Å; T33-I47 VanDerWaalsContact CA-O 3.26Å; T33-I47 WeakPolarHBondContact CA-O 3.31Å; T33-A48 HydrophobicContact CG2-CB 4.05Å; T33-Q120 WeakPolarHBondContact O-CA 3.5Å; T33-M121 HydrophobicContact CG2-CE 3.63Å; T33-M121 PolarHBondContact N-O 2.97Å; T33-M121 PolarHBondContact O-N 2.89Å; T33-M121 VanDerWaalsContact O-N 3.14Å; T33-M121 WeakPolarHBondContact OG1-CB 3.17Å
34	T	98.8	Very high	94	Very high	39 Å²	39	50.4 Å²	50.4	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	122.4	173.7	-62	0	0	0	0	108.3	V36 F46 I47 T118 I119 Q120	T34-V36 HydrophobicContact CG2-CG2 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; T34-I47 PolarHBondContact N-O 3.17Å; T34-I47 PolarHBondContact O-N 3.3Å; T34-T118 HydrophobicContact CG2-CG2 3.83Å; T34-I119 WeakPolarHBondContact CA-O 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å
35	S	98.7	Very high	95.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120	175.8	-169.1	0	0	0	0	109.9	R45 D98 L102 T118 I119	S35-R45 CarbonylContact C-O 3.53Å; S35-R45 VanDerWaalsContact CA-O 3.28Å; S35-R45 WeakPolarHBondContact CA-O 3.26Å; S35-D98 VanDerWaalsContact CB-OD2 3.25Å; S35-D98 WeakPolarHBondContact CB-OD2 3.18Å; S35-L102 WeakPolarHBondContact OG-CD1 3.24Å; S35-T118 CarbonylContact O-C 3.56Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.05Å; S35-I119 PolarHBondContact N-O 3.42Å; S35-I119 PolarHBondContact O-N 2.88Å
36	V	98.6	Very high	96.7	Very high	44 Å²	44	49.3 Å²	49.3	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.5	-177.1	-171.5	0	0	0	0	109.1	T34 P44 R45 T118	T34-V36 HydrophobicContact CG2-CG2 3.94Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.2Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; V36-R45 PolarHBondContact N-O 2.94Å; V36-R45 PolarHBondContact O-N 3.48Å; V36-T118 HydrophobicContact CG2-CG2 4.09Å
37	S	98.2	Very high	97	Very high	18 Å²	18	49.8 Å²	49.8	13%	0.126	27%	0.272	C	S	.	.			trans	-68.8	143	173.6	76.7	0	0	0	0	110.8	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.02Å; S37-S116 PolarHBondContact O-OG 2.88Å; S37-H117 PolarHBondContact N-O 3.36Å; S37-H117 PolarHBondContact OG-N 2.89Å; S37-H117 PolarHBondContact OG-O 3.28Å
38	R	96.6	Very high	97.1	Very high	66 Å²	66	48.5 Å²	48.5	25%	0.249	27%	0.267	C	S	.	.			trans	-132	74.2	-175.7	-57.4	179.8	-72.8	-166.7	-10	110.8	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 2.82Å; R38-R41 HydrophobicContact CB-CB 4.01Å; R38-R41 PolarHBondContact O-N 3.03Å; R38-E43 PolarHBondContact NE-O 2.85Å; R38-E43 PolarHBondContact NH2-O 3.39Å; R38-D63 IonicContact CZ-OD1 3.58Å; R38-D63 IonicContact CZ-OD2 3.11Å; R38-D63 IonicContact NH1-OD1 2.65Å; R38-D63 PolarHBondContact NH1-OD1 2.99Å; R38-D63 IonicContact NH1-OD2 3.26Å; R38-D63 PolarHBondContact NH1-OD2 2.89Å; R38-D63 IonicContact NH2-OD1 3.98Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 2.76Å
39	P	93.4	Very high	97.2	Very high	56 Å²	56	48.3 Å²	48.3	36%	0.364	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	128.5	-178	-25.6	33.1	0	0	0	112.1	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.41Å; P39-E113 WeakPolarHBondContact CB-O 3.19Å; P39-E113 WeakPolarHBondContact CG-O 3.13Å; P39-G115 WeakPolarHBondContact CG-O 3.47Å
40	G	92.3	Very high	97.2	Very high	90 Å²	90	48.2 Å²	48.2	93%	0.928	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	4.5	-178.4	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 2.82Å
41	R	92.8	Very high	97.2	Very high	217 Å²	217	49.2 Å²	49.2	82%	0.819	27%	0.268	S	S	*	.	S	Bend	trans	-125.8	21	-179.4	-58.1	-176.6	179.4	-174.9	0.1	113.5	R38 P39	R38-R41 HydrophobicContact CB-CB 4.01Å; R38-R41 PolarHBondContact O-N 3.03Å; P39-R41 PolarHBondContact O-N 3.41Å
42	G	91.9	Very high	97.2	Very high	61 Å²	61	48.6 Å²	48.6	63%	0.629	27%	0.266	S	S	*	.	S	Bend	trans	95.3	-156.7	177.4	0	0	0	0	0	113.7
43	E	94.3	Very high	97	Very high	94 Å²	94	46.5 Å²	46.5	44%	0.439	26%	0.258	S	S	.	.	S	Bend	trans	-67.3	155.9	-177.4	-64.4	-63.9	165.1	0	0	112.3	R38 R99	R38-E43 PolarHBondContact NE-O 2.85Å; R38-E43 PolarHBondContact NH2-O 3.39Å; E43-R99 IonicContact OE1-CZ 3.19Å; E43-R99 IonicContact OE1-NE 3.65Å; E43-R99 IonicContact OE1-NH1 3.41Å; E43-R99 PolarHBondContact OE1-NH1 3.25Å; E43-R99 IonicContact OE1-NH2 3.99Å; E43-R99 PolarHBondContact OE1-NH2 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.47Å; E43-R99 IonicContact OE2-NE 3.43Å; E43-R99 PolarHBondContact OE2-NE 3.18Å; E43-R99 IonicContact OE2-NH1 3.55Å; E43-R99 PolarHBondContact OE2-NH1 3.14Å; E43-R99 VanDerWaalsContact OE2-NH1 3.15Å; E43-R99 IonicContact OE2-NH2 2.78Å; E43-R99 PolarHBondContact OE2-NH2 3.23Å
44	P	97.4	Very high	96.8	Very high	26 Å²	26	53.9 Å²	53.9	17%	0.169	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-52.3	141.9	172.1	-25.2	34.9	0	0	0	112	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.2Å; V36-P44 WeakPolarHBondContact O-CB 3.36Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.35Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.56Å
45	R	98.4	Very high	96.8	Very high	87 Å²	87	54.8 Å²	54.8	33%	0.328	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	125.4	170.5	-172.2	177.6	-180	-179.1	-2.9	108.4	S35 V36 I47 D61 S62 D63	S35-R45 CarbonylContact C-O 3.53Å; S35-R45 VanDerWaalsContact CA-O 3.28Å; S35-R45 WeakPolarHBondContact CA-O 3.26Å; V36-R45 PolarHBondContact N-O 2.94Å; V36-R45 PolarHBondContact O-N 3.48Å; R45-I47 HydrophobicContact CG-CG1 4.42Å; R45-D61 IonicContact CZ-OD1 3.4Å; R45-D61 IonicContact CZ-OD2 3.65Å; R45-D61 IonicContact NE-OD1 3.29Å; R45-D61 PolarHBondContact NE-OD1 2.82Å; R45-D61 VanDerWaalsContact NE-OD1 3.07Å; R45-D61 IonicContact NE-OD2 3.52Å; R45-D61 IonicContact NH2-OD1 3.51Å; R45-D61 PolarHBondContact NH2-OD1 3.11Å; R45-D61 IonicContact NH2-OD2 3.24Å; R45-D61 PolarHBondContact NH2-OD2 2.78Å; R45-S62 WeakPolarHBondContact CA-OG 3.41Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 IonicContact NE-OD2 2.88Å
46	F	98.8	Very high	96.7	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127	176	-178.1	-94.2	0	0	0	110.5	T33 T34 A48 F60 S62 V91 H94 D98	T33-F46 HydrophobicContact CG2-CE2 4.14Å; T33-F46 HydrophobicContact CG2-CZ 3.69Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.2Å; F46-F60 AromaticContact CD1-CD1 3.77Å; F46-F60 HydrophobicContact CD1-CD1 3.77Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4.16Å; F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 3.23Å; F46-V91 HydrophobicContact CE1-CB 4.1Å; F46-V91 HydrophobicContact CE1-CG1 4.23Å; F46-H94 AromaticContact CE2-CD2 3.37Å; F46-H94 WeakPolarHBondContact CE2-CD2 3.35Å; F46-H94 HydrophobicContact CZ-CB 4.12Å; F46-H94 AromaticContact CZ-CD2 3.51Å; F46-H94 AromaticContact CZ-CG 3.96Å; F46-D98 HydrophobicContact CD2-CB 4.45Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.47Å
47	I	98.8	Very high	96.7	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.195	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.8	174.2	-62.9	170.5	0	0	0	107.6	T33 T34 R45 V49 F60	T33-I47 CarbonylContact C-O 3.48Å; T33-I47 VanDerWaalsContact CA-O 3.26Å; T33-I47 WeakPolarHBondContact CA-O 3.31Å; T34-I47 PolarHBondContact N-O 3.17Å; T34-I47 PolarHBondContact O-N 3.3Å; R45-I47 HydrophobicContact CG-CG1 4.42Å; I47-V49 HydrophobicContact CG2-CG1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å
48	A	98.8	Very high	96.8	Very high	4 Å²	4	54.4 Å²	54.4	3%	0.033	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	167.7	0	0	0	0	0	109.9	F32 T33 F46 R59 F60 V91	F32-A48 CarbonylContact O-C 3.55Å; F32-A48 VanDerWaalsContact O-CA 3.3Å; F32-A48 WeakPolarHBondContact O-CA 3.28Å; T33-A48 HydrophobicContact CG2-CB 4.05Å; F46-A48 HydrophobicContact CE1-CB 3.85Å; F46-A48 HydrophobicContact CZ-CB 4.2Å; A48-R59 CarbonylContact O-C 3.54Å; A48-R59 WeakPolarHBondContact O-CA 3.49Å; A48-F60 HydrophobicContact CB-CB 4.27Å; A48-F60 PolarHBondContact N-O 2.97Å; A48-F60 PolarHBondContact O-N 3.38Å; A48-V91 HydrophobicContact CB-CG1 3.72Å
49	V	98.9	Very high	96.9	Very high	22 Å²	22	54.3 Å²	54.3	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.5	174	-64.2	0	0	0	0	109.8	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.51Å; Y31-V49 VanDerWaalsContact CA-O 3.32Å; Y31-V49 WeakPolarHBondContact CA-O 3.06Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.49Å; F32-V49 PolarHBondContact N-O 2.75Å; F32-V49 PolarHBondContact O-N 2.81Å; I47-V49 HydrophobicContact CG2-CG1 4.31Å; V49-Y51 HydrophobicContact CB-CE2 4.25Å; V49-Y51 HydrophobicContact CG2-CD2 4.44Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; V49-V58 WeakPolarHBondContact CA-O 3.2Å; V49-R59 HydrophobicContact CG1-CB 4.38Å; V49-R59 HydrophobicContact CG1-CG 4.09Å
50	G	98.8	Very high	97.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.2	177.2	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.4Å; G50-Q56 CarbonylContact O-C 3.56Å; G50-Q56 WeakPolarHBondContact O-CA 3.37Å; G50-Q56 WeakPolarHBondContact O-CG 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.4Å; G50-F57 PolarHBondContact O-N 3.27Å; G50-V58 PolarHBondContact N-O 3.27Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 3.07Å
51	Y	98.8	Very high	97.4	Very high	71 Å²	71	48.5 Å²	48.5	28%	0.278	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.7	177.5	-75.1	-98.9	0	0	0	110.5	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.46Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.25Å; R30-Y51 PolarHBondContact N-O 3.34Å; R30-Y51 PolarHBondContact O-N 2.85Å; F32-Y51 HydrophobicContact CD2-CD2 4.02Å; F32-Y51 HydrophobicContact CD2-CE2 4.37Å; F32-Y51 AromaticContact CE2-CD2 3.97Å; F32-Y51 HydrophobicContact CE2-CD2 3.97Å; V49-Y51 HydrophobicContact CB-CE2 4.25Å; V49-Y51 HydrophobicContact CG2-CD2 4.44Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.34Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 HydrophobicContact CE1-CB 3.57Å; Y51-Q56 HydrophobicContact CE1-CG 4.3Å; Y51-Q56 HydrophobicContact CE2-CB 4.26Å; Y51-Q56 HydrophobicContact CE2-CG 4.08Å
52	V	98.4	Very high	97.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.2	157.8	174.6	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.53Å; S28-V52 WeakPolarHBondContact O-CA 3.48Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 2.82Å; V52-T55 WeakPolarHBondContact O-CB 3.45Å; V52-T55 PolarHBondContact O-N 3.44Å; V52-F57 HydrophobicContact CG2-CD1 3.89Å; V52-F57 HydrophobicContact CG2-CE1 3.9Å; V52-F57 HydrophobicContact CG2-CG 4.49Å; V52-W75 HydrophobicContact CB-CH2 4.27Å; V52-W75 HydrophobicContact CB-CZ2 4.36Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; V52-L192 HydrophobicContact CG1-CD1 3.71Å; V52-L192 HydrophobicContact CG2-CD1 4.33Å; V52-Y195 HydrophobicContact CG2-CD2 3.84Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; V52-L196 HydrophobicContact CG1-CD2 3.99Å; V52-L196 HydrophobicContact CG1-CG 4.48Å; V52-L203 HydrophobicContact CB-CD1 4.42Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.4Å
53	D	96.1	Very high	97.9	Very high	38 Å²	38	40 Å²	40	20%	0.203	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-128.2	-164.2	-54.3	-39	0	0	0	110	H27 S28 T55	H27-D53 WeakPolarHBondContact CA-OD1 3.19Å; H27-D53 IonicContact CE1-OD2 3.07Å; H27-D53 IonicContact CG-OD1 3.44Å; H27-D53 IonicContact CG-OD2 3.76Å; H27-D53 IonicContact ND1-OD1 2.71Å; H27-D53 IonicContact ND1-OD2 3.5Å; H27-D53 PolarHBondContact ND1-OD2 2.77Å; S28-D53 PolarHBondContact N-OD1 2.92Å; S28-D53 PolarHBondContact O-N 3Å; D53-T55 VanDerWaalsContact C-N 3.31Å
54	D	95.1	Very high	98.1	Very high	159 Å²	159	36.9 Å²	36.9	85%	0.85	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	8.9	178	-60.9	-52.4	0	0	0	113.4	V52	V52-D54 PolarHBondContact O-N 2.93Å
55	T	97.1	Very high	98.1	Very high	57 Å²	57	41.1 Å²	41.1	35%	0.35	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.4	-176.7	-57.9	0	0	0	0	111.5	Y51 V52 D53 F57 A73 L203	Y51-T55 WeakPolarHBondContact CA-O 3.34Å; V52-T55 PolarHBondContact N-O 2.82Å; V52-T55 WeakPolarHBondContact O-CB 3.45Å; V52-T55 PolarHBondContact O-N 3.44Å; D53-T55 VanDerWaalsContact C-N 3.31Å; T55-F57 PolarHBondContact O-N 3.36Å; T55-A73 HydrophobicContact CG2-CB 4.38Å; T55-L203 HydrophobicContact CG2-CD2 4.22Å
56	Q	98.4	Very high	97.8	Very high	54 Å²	54	39.6 Å²	39.6	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.2	171.8	-167.3	-176.5	-8	0	0	110.2	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.31Å; G50-Q56 CarbonylContact O-C 3.56Å; G50-Q56 WeakPolarHBondContact O-CA 3.37Å; G50-Q56 WeakPolarHBondContact O-CG 3.44Å; Y51-Q56 HydrophobicContact CD1-CB 4.04Å; Y51-Q56 HydrophobicContact CE1-CB 3.57Å; Y51-Q56 HydrophobicContact CE1-CG 4.3Å; Y51-Q56 HydrophobicContact CE2-CB 4.26Å; Y51-Q56 HydrophobicContact CE2-CG 4.08Å; Q56-V58 PolarHBondContact NE2-O 3.49Å; Q56-R72 HydrophobicContact CG-CB 4.21Å; Q56-R72 HydrophobicContact CG-CG 4.43Å; Q56-R72 CarbonylContact O-C 3.59Å
57	F	98.5	Very high	97.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-21.1	-177.7	76.4	-81.6	0	0	0	114.2	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.16Å; Y31-F57 AromaticContact CZ-CZ 3.79Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.4Å; G50-F57 PolarHBondContact O-N 3.27Å; V52-F57 HydrophobicContact CG2-CD1 3.89Å; V52-F57 HydrophobicContact CG2-CE1 3.9Å; V52-F57 HydrophobicContact CG2-CG 4.49Å; T55-F57 PolarHBondContact O-N 3.36Å; F57-R72 PolarHBondContact O-N 2.87Å; F57-A73 HydrophobicContact CB-CB 4.17Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.14Å; F57-W75 AromaticContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CZ3 4.04Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; F57-I76 HydrophobicContact CD2-CB 4.4Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.26Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.38Å; F57-Y195 HydrophobicContact CE2-CD2 4.12Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.85Å; F57-Y195 HydrophobicContact CZ-CD2 4.15Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å
58	V	98.7	Very high	97.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156	174.8	-71.2	0	0	0	0	113.1	Y31 V49 G50 Q56 M69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.92Å; V49-V58 WeakPolarHBondContact CA-O 3.2Å; G50-V58 PolarHBondContact N-O 3.27Å; G50-V58 VanDerWaalsContact N-O 3.11Å; G50-V58 PolarHBondContact O-N 3.07Å; Q56-V58 PolarHBondContact NE2-O 3.49Å; V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.67Å; V58-M69 HydrophobicContact CG1-CG 4.19Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.07Å; V58-E70 CarbonylContact C-O 3.55Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.36Å; V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å
59	R	98.7	Very high	97.7	Very high	63 Å²	63	49.4 Å²	49.4	24%	0.238	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	140.6	172.6	-178.6	175.4	174.3	82.1	6.7	111.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.54Å; A48-R59 WeakPolarHBondContact O-CA 3.49Å; V49-R59 HydrophobicContact CG1-CB 4.38Å; V49-R59 HydrophobicContact CG1-CG 4.09Å; R59-D61 IonicContact CZ-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 3.79Å; R59-D61 PolarHBondContact NH2-OD2 3.2Å; R59-E70 PolarHBondContact N-O 2.7Å; R59-E70 PolarHBondContact O-N 2.69Å; R59-R72 HydrophobicContact CB-CG 3.86Å
60	F	98.8	Very high	97.7	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.6	163.7	178	-87.2	0	0	0	109.9	F46 I47 A48 Q67 R68 M69 V91 K92	F46-F60 AromaticContact CD1-CD1 3.77Å; F46-F60 HydrophobicContact CD1-CD1 3.77Å; F46-F60 AromaticContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CD1-CE1 3.85Å; F46-F60 HydrophobicContact CE1-CD1 4.16Å; I47-F60 WeakPolarHBondContact CA-O 3.45Å; A48-F60 HydrophobicContact CB-CB 4.27Å; A48-F60 PolarHBondContact N-O 2.97Å; A48-F60 PolarHBondContact O-N 3.38Å; F60-Q67 VanDerWaalsContact CE2-C 3.5Å; F60-Q67 HydrophobicContact CE2-CB 4.43Å; F60-Q67 WeakPolarHBondContact CE2-O 3.2Å; F60-Q67 HydrophobicContact CZ-CB 4.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.38Å; F60-M69 HydrophobicContact CB-CE 4.22Å; F60-M69 HydrophobicContact CB-SD 3.98Å; F60-V91 HydrophobicContact CB-CB 4.45Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CB 4.41Å; F60-V91 HydrophobicContact CD1-CG2 4.38Å; F60-V91 HydrophobicContact CD2-CB 4.42Å; F60-V91 HydrophobicContact CD2-CG2 3.56Å; F60-V91 HydrophobicContact CE2-CG2 4.07Å; F60-V91 HydrophobicContact CG-CB 4.18Å; F60-V91 HydrophobicContact CG-CG2 3.73Å; F60-K92 HydrophobicContact CE2-CG 4.2Å; F60-K92 HydrophobicContact CZ-CG 4.06Å
61	D	98.6	Very high	97.6	Very high	21 Å²	21	53.6 Å²	53.6	11%	0.112	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	121.1	173.1	-162.2	-32	0	0	0	109.4	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.4Å; R45-D61 IonicContact CZ-OD2 3.65Å; R45-D61 IonicContact NE-OD1 3.29Å; R45-D61 PolarHBondContact NE-OD1 2.82Å; R45-D61 VanDerWaalsContact NE-OD1 3.07Å; R45-D61 IonicContact NE-OD2 3.52Å; R45-D61 IonicContact NH2-OD1 3.51Å; R45-D61 PolarHBondContact NH2-OD1 3.11Å; R45-D61 IonicContact NH2-OD2 3.24Å; R45-D61 PolarHBondContact NH2-OD2 2.78Å; R59-D61 IonicContact CZ-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 3.79Å; R59-D61 PolarHBondContact NH2-OD2 3.2Å; D61-D63 PolarHBondContact O-N 3.18Å; D61-D63 PolarHBondContact OD1-N 3.5Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å; D61-A64 HydrophobicContact CB-CB 4.16Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.7Å; D61-A64 VanDerWaalsContact O-N 3.11Å
62	S	98.3	Very high	97.6	Very high	20 Å²	20	56 Å²	56	14%	0.14	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.4	-179.3	66.6	0	0	0	0	113.1	R45 F46 Q67	R45-S62 WeakPolarHBondContact CA-OG 3.41Å; F46-S62 PolarHBondContact N-OG 3.02Å; F46-S62 PolarHBondContact O-N 2.89Å; F46-S62 PolarHBondContact O-OG 3.23Å; S62-Q67 PolarHBondContact O-NE2 3.36Å
63	D	97.4	Very high	97.5	Very high	79 Å²	79	56.3 Å²	56.3	42%	0.422	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.5	178.3	-72.8	1.6	0	0	0	112.4	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.58Å; R38-D63 IonicContact CZ-OD2 3.11Å; R38-D63 IonicContact NH1-OD1 2.65Å; R38-D63 PolarHBondContact NH1-OD1 2.99Å; R38-D63 IonicContact NH1-OD2 3.26Å; R38-D63 PolarHBondContact NH1-OD2 2.89Å; R38-D63 IonicContact NH2-OD1 3.98Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 2.76Å; R45-D63 VanDerWaalsContact CD-OD2 3.27Å; R45-D63 WeakPolarHBondContact CD-OD2 3.33Å; R45-D63 IonicContact NE-OD2 2.88Å; D61-D63 PolarHBondContact O-N 3.18Å; D61-D63 PolarHBondContact OD1-N 3.5Å; D61-D63 VanDerWaalsContact OD1-N 3.16Å
64	A	97.4	Very high	97.6	Very high	30 Å²	30	59.5 Å²	59.5	25%	0.248	32%	0.323	C	S	.	.	S	Bend	trans	-70.6	145.9	175.6	0	0	0	0	0	111.1	D61 S66 Q67	D61-A64 HydrophobicContact CB-CB 4.16Å; D61-A64 WeakPolarHBondContact O-CB 3.46Å; D61-A64 PolarHBondContact O-N 2.7Å; D61-A64 VanDerWaalsContact O-N 3.11Å; A64-S66 VanDerWaalsContact C-N 3.27Å; A64-S66 PolarHBondContact O-N 2.97Å; A64-Q67 WeakPolarHBondContact O-CG 3.32Å; A64-Q67 PolarHBondContact O-N 3.01Å
65	A	96.4	Very high	97.6	Very high	115 Å²	115	52.6 Å²	52.6	95%	0.95	29%	0.285	S	S	*	.	S	Bend	trans	-62.4	-33.3	179.9	0	0	0	0	0	113.4
66	S	93.9	Very high	97.6	Very high	54 Å²	54	49.9 Å²	49.9	38%	0.378	27%	0.269	S	S	.	.	S	Bend	trans	-73.4	-35.3	178.2	58.2	0	0	0	0	112.2	A64 R68 E70	A64-S66 VanDerWaalsContact C-N 3.27Å; A64-S66 PolarHBondContact O-N 2.97Å; S66-R68 WeakPolarHBondContact O-CG 3.13Å; S66-R68 PolarHBondContact O-N 3.11Å; S66-E70 PolarHBondContact OG-OE1 3.15Å
67	Q	96.5	Very high	97.5	Very high	87 Å²	87	53.4 Å²	53.4	41%	0.407	29%	0.285	S	S	.	.			trans	41.6	51.6	-167.4	-58.3	-173.7	-20.5	0	0	111.8	F60 S62 A64 K92	F60-Q67 VanDerWaalsContact CE2-C 3.5Å; F60-Q67 HydrophobicContact CE2-CB 4.43Å; F60-Q67 WeakPolarHBondContact CE2-O 3.2Å; F60-Q67 HydrophobicContact CZ-CB 4.43Å; S62-Q67 PolarHBondContact O-NE2 3.36Å; A64-Q67 WeakPolarHBondContact O-CG 3.32Å; A64-Q67 PolarHBondContact O-N 3.01Å; Q67-K92 WeakPolarHBondContact O-CE 3.36Å; Q67-K92 PolarHBondContact O-NZ 2.82Å; Q67-K92 VanDerWaalsContact O-NZ 3.13Å
68	R	98.2	Very high	97.3	Very high	155 Å²	155	59 Å²	59	59%	0.585	31%	0.311	S	S	*	.	S	Bend	trans	-122.8	156.9	177.8	-73.2	-175.4	175.4	174.1	-4.5	110.8	F60 S66 T88	F60-R68 WeakPolarHBondContact CD2-O 3.38Å; S66-R68 WeakPolarHBondContact O-CG 3.13Å; S66-R68 PolarHBondContact O-N 3.11Å; R68-T88 HydrophobicContact CB-CG2 4.48Å; R68-T88 HydrophobicContact CG-CG2 4.23Å
69	M	98.6	Very high	97.3	Very high	8 Å²	8	59.5 Å²	59.5	4%	0.039	31%	0.313	C	S	.	.			trans	-69.3	127.3	165.3	-172.2	63.7	84	0	0	108.4	V58 F60 W84 E87 T88 V91	V58-M69 HydrophobicContact CB-CG 4.1Å; V58-M69 HydrophobicContact CB-SD 3.67Å; V58-M69 HydrophobicContact CG1-CG 4.19Å; V58-M69 HydrophobicContact CG1-SD 4.41Å; V58-M69 HydrophobicContact CG2-SD 4.07Å; F60-M69 HydrophobicContact CB-CE 4.22Å; F60-M69 HydrophobicContact CB-SD 3.98Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.2Å; M69-W84 HydrophobicContact CG-CZ3 4.07Å; M69-E87 HydrophobicContact CB-CB 4.05Å; M69-E87 HydrophobicContact CE-CB 4.49Å; M69-E87 HydrophobicContact CG-CB 4.04Å; M69-T88 PolarHBondContact N-OG1 3.03Å; M69-V91 HydrophobicContact CE-CB 4.38Å; M69-V91 HydrophobicContact CE-CG1 3.6Å; M69-V91 HydrophobicContact CE-CG2 3.83Å
70	E	98.3	Very high	97.2	Very high	62 Å²	62	65.2 Å²	65.2	29%	0.29	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	139.9	-174	-66.6	175.8	167.9	0	0	111	V58 R59 S66 R72	V58-E70 CarbonylContact C-O 3.55Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.46Å; R59-E70 PolarHBondContact N-O 2.7Å; R59-E70 PolarHBondContact O-N 2.69Å; S66-E70 PolarHBondContact OG-OE1 3.15Å; E70-R72 IonicContact OE2-CZ 3.62Å; E70-R72 IonicContact OE2-NH2 3.57Å; E70-R72 PolarHBondContact OE2-NH2 2.57Å
71	P	98.3	Very high	97.1	Very high	49 Å²	49	69.3 Å²	69.3	32%	0.318	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	146	173.4	28.5	-34.5	0	0	0	111.2	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.6Å; P71-E77 HydrophobicContact CB-CG 3.81Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.98Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å
72	R	98.3	Very high	97.1	Very high	122 Å²	122	74.2 Å²	74.2	46%	0.46	38%	0.384	S	S	.	.			trans	-129	-0	174.8	-59.7	-64.8	168.3	173.4	-2.7	113.5	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.21Å; Q56-R72 HydrophobicContact CG-CG 4.43Å; Q56-R72 CarbonylContact O-C 3.59Å; F57-R72 PolarHBondContact O-N 2.87Å; R59-R72 HydrophobicContact CB-CG 3.86Å; E70-R72 IonicContact OE2-CZ 3.62Å; E70-R72 IonicContact OE2-NH2 3.57Å; E70-R72 PolarHBondContact OE2-NH2 2.57Å
73	A	96.8	Very high	97	Very high	5 Å²	5	74.1 Å²	74.1	4%	0.041	38%	0.381	C	S	.	.	S	Bend	trans	-137.9	145.4	172.3	0	0	0	0	0	110.6	T55 F57 W75 I76	T55-A73 HydrophobicContact CG2-CB 4.38Å; F57-A73 HydrophobicContact CB-CB 4.17Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.21Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3.4Å; A73-I76 WeakPolarHBondContact O-CG2 3.3Å; A73-I76 PolarHBondContact O-N 2.88Å
74	P	96.6	Very high	97.1	Very high	105 Å²	105	72.2 Å²	72.2	68%	0.682	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-59.7	-36.6	-176.1	-26.4	35	0	0	0	113.9	I76 E77	P74-I76 PolarHBondContact O-N 3.4Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 2.87Å; P74-E77 VanDerWaalsContact O-N 3.14Å
75	W	95.8	Very high	97.1	Very high	15 Å²	15	74.9 Å²	74.9	6%	0.057	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-70	-15.2	-175.7	53.9	-106.3	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.27Å; V52-W75 HydrophobicContact CB-CZ2 4.36Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.43Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 4.04Å; F57-W75 HydrophobicContact CD1-CH2 4.14Å; F57-W75 AromaticContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CZ3 4.04Å; F57-W75 AromaticContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CH2 3.43Å; F57-W75 VanDerWaalsContact CG-CH2 3.43Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.21Å; A73-W75 HydrophobicContact CB-CG 4.38Å; A73-W75 HydrophobicContact CB-CZ2 4.04Å; A73-W75 PolarHBondContact O-N 3.4Å; W75-Q78 WeakPolarHBondContact O-CG 3.32Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 AromaticContact CZ3-CG 3.74Å; W75-Y195 HydrophobicContact CZ3-CG 3.74Å; W75-N198 HydrophobicContact CB-CB 4.44Å; W75-N198 WeakPolarHBondContact CB-O 3.45Å; W75-N198 HydrophobicContact CE3-CB 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.91Å; W75-L203 HydrophobicContact CZ2-CD2 4.41Å
76	I	97.5	Very high	97.2	Very high	0 Å²	0	73 Å²	73	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-87.3	-20.2	174.4	-165.1	71.1	0	0	0	111.6	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.4Å; F57-I76 HydrophobicContact CD2-CD1 3.95Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.26Å; F57-I76 VanDerWaalsContact O-CG2 3.28Å; F57-I76 WeakPolarHBondContact O-CG2 3.38Å; V58-I76 HydrophobicContact CG1-CG1 4.36Å; P71-I76 HydrophobicContact CB-CG2 3.6Å; A73-I76 WeakPolarHBondContact O-CG2 3.3Å; A73-I76 PolarHBondContact O-N 2.88Å; P74-I76 PolarHBondContact O-N 3.4Å; I76-Q78 PolarHBondContact O-N 2.83Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; I76-E79 HydrophobicContact CD1-CG 3.63Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.31Å; I76-E79 PolarHBondContact O-N 2.82Å; I76-Y83 HydrophobicContact CD1-CE1 4.14Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; I76-W84 HydrophobicContact CB-CH2 4.38Å; I76-W84 HydrophobicContact CG1-CH2 3.65Å; I76-W84 HydrophobicContact CG1-CZ2 3.92Å; I76-W84 HydrophobicContact CG2-CH2 3.95Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 WeakPolarHBondContact O-CZ2 3.39Å; I76-Y195 HydrophobicContact CD1-CD1 3.7Å; I76-Y195 HydrophobicContact CD1-CE1 3.31Å
77	E	96.1	Very high	97.4	Very high	127 Å²	127	71.9 Å²	71.9	59%	0.593	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.1	-177.2	-64	-178.6	-167.6	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.81Å; P71-E77 HydrophobicContact CG-CG 4.03Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 2.87Å; P74-E77 VanDerWaalsContact O-N 3.14Å; E77-E79 PolarHBondContact O-N 2.92Å
78	Q	95	Very high	97.5	Very high	119 Å²	119	68.3 Å²	68.3	56%	0.556	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.5	176.1	72	-175.6	16.4	0	0	114.1	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.32Å; I76-Q78 PolarHBondContact O-N 2.83Å; I76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-N198 PolarHBondContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 2.89Å
79	E	97.1	Very high	97.5	Very high	11 Å²	11	68.5 Å²	68.5	5%	0.051	32%	0.323	C	S	.	.	S	Bend	trans	-64	143.5	175.2	-69	-60	163.7	0	0	111.3	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.63Å; I76-E79 HydrophobicContact CG1-CG 4.21Å; I76-E79 WeakPolarHBondContact O-CB 3.35Å; I76-E79 WeakPolarHBondContact O-CG 3.31Å; I76-E79 PolarHBondContact O-N 2.82Å; E77-E79 PolarHBondContact O-N 2.92Å; E79-Y83 HydrophobicContact CB-CD1 3.53Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.87Å; E79-Y83 HydrophobicContact CG-CD1 3.94Å; E79-Y83 HydrophobicContact CG-CE1 4.16Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 2.87Å; E79-R194 IonicContact OE1-CZ 3.69Å; E79-R194 IonicContact OE1-NE 3.82Å; E79-R194 PolarHBondContact OE1-NE 3.37Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 2.93Å; E79-R194 IonicContact OE2-CZ 2.7Å; E79-R194 IonicContact OE2-NE 3.78Å; E79-R194 PolarHBondContact OE2-NE 2.93Å; E79-R194 IonicContact OE2-NH2 2.87Å; E79-R194 PolarHBondContact OE2-NH2 3.24Å; E79-N198 PolarHBondContact OE1-ND2 3.32Å
80	R	96.8	Very high	97.5	Very high	183 Å²	183	71.6 Å²	71.6	69%	0.691	34%	0.34	S	S	*	.			trans	-70.2	157.8	-174.4	-60.3	-172.8	176.4	-179.5	-0.4	111.8	E82 Y83	R80-E82 WeakPolarHBondContact CB-OE2 3.39Å; R80-E82 PolarHBondContact O-N 2.7Å; R80-E82 VanDerWaalsContact O-N 3.08Å; R80-Y83 WeakPolarHBondContact O-CB 3.28Å; R80-Y83 PolarHBondContact O-N 2.85Å
81	P	97.4	Very high	97.5	Very high	88 Å²	88	69.2 Å²	69.2	57%	0.571	33%	0.329	S	S	*	.	H	α-helix	trans	-51.3	-35.2	178.3	-28.9	37	0	0	0	114.4	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.01Å; P81-W84 PolarHBondContact O-N 3.5Å; P81-W84 VanDerWaalsContact O-N 3.15Å; P81-D85 PolarHBondContact O-N 3.38Å
82	E	97.9	Very high	97.5	Very high	125 Å²	125	70.6 Å²	70.6	58%	0.584	33%	0.33	S	S	*	.	H	α-helix	trans	-63.7	-31.4	-179.7	-59	78	-168.5	0	0	112.8	R80 Q86	R80-E82 WeakPolarHBondContact CB-OE2 3.39Å; R80-E82 PolarHBondContact O-N 2.7Å; R80-E82 VanDerWaalsContact O-N 3.08Å; E82-Q86 VanDerWaalsContact O-CB 3.29Å; E82-Q86 WeakPolarHBondContact O-CB 3.4Å; E82-Q86 PolarHBondContact O-N 3.41Å
83	Y	97.7	Very high	97.5	Very high	17 Å²	17	67.5 Å²	67.5	7%	0.067	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-50.4	173.6	168.2	-96.4	0	0	0	110.2	I76 E79 R80 P81 D85 Q86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.14Å; I76-Y83 HydrophobicContact CG1-CE1 4.23Å; E79-Y83 HydrophobicContact CB-CD1 3.53Å; E79-Y83 HydrophobicContact CB-CE1 4.17Å; E79-Y83 HydrophobicContact CB-CG 3.87Å; E79-Y83 HydrophobicContact CG-CD1 3.94Å; E79-Y83 HydrophobicContact CG-CE1 4.16Å; E79-Y83 HydrophobicContact CG-CG 4.19Å; R80-Y83 WeakPolarHBondContact O-CB 3.28Å; R80-Y83 PolarHBondContact O-N 2.85Å; P81-Y83 VanDerWaalsContact C-N 3.26Å; P81-Y83 PolarHBondContact O-N 3.01Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.89Å; Y83-Q86 PolarHBondContact O-N 3.05Å; Y83-E87 HydrophobicContact CD1-CG 4.44Å; Y83-E87 HydrophobicContact CD2-CG 4.12Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.7Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CB 3.33Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.12Å; Y83-W191 AromaticContact CD2-CH2 3.39Å; Y83-W191 HydrophobicContact CD2-CH2 3.39Å; Y83-W191 HydrophobicContact CD2-CZ2 4.04Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.29Å; Y83-W191 AromaticContact CE2-CH2 3.71Å; Y83-W191 HydrophobicContact CE2-CH2 3.71Å; Y83-W191 HydrophobicContact CE2-CZ2 4.25Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CG-CH2 4.48Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 2.98Å
84	W	98.4	Very high	97.5	Very high	39 Å²	39	69.3 Å²	69.3	15%	0.148	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-38.1	-179.2	-62.2	109.5	0	0	0	113	V58 M69 P71 I76 E79 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.07Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; M69-W84 HydrophobicContact CB-CE3 4.32Å; M69-W84 HydrophobicContact CG-CE3 4.2Å; M69-W84 HydrophobicContact CG-CZ3 4.07Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.98Å; P71-W84 HydrophobicContact CB-CZ3 4.44Å; P71-W84 HydrophobicContact CG-CH2 4.23Å; P71-W84 HydrophobicContact CG-CZ2 4.41Å; I76-W84 HydrophobicContact CB-CH2 4.38Å; I76-W84 HydrophobicContact CG1-CH2 3.65Å; I76-W84 HydrophobicContact CG1-CZ2 3.92Å; I76-W84 HydrophobicContact CG2-CH2 3.95Å; I76-W84 HydrophobicContact CG2-CZ2 4.35Å; I76-W84 WeakPolarHBondContact O-CZ2 3.39Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 2.87Å; P81-W84 PolarHBondContact O-N 3.5Å; P81-W84 VanDerWaalsContact O-N 3.15Å; W84-T88 VanDerWaalsContact O-CB 3.22Å; W84-T88 WeakPolarHBondContact O-CB 3.26Å; W84-T88 PolarHBondContact O-N 3.05Å; W84-T88 PolarHBondContact O-OG1 2.82Å
85	D	98.3	Very high	97.6	Very high	87 Å²	87	65.1 Å²	65.1	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-42.5	174.9	-76.3	-20.8	0	0	0	111.5	P81 Y83 R89	P81-D85 PolarHBondContact O-N 3.38Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.89Å; D85-R89 WeakPolarHBondContact O-CG 3.46Å; D85-R89 PolarHBondContact O-N 3.48Å
86	Q	98.1	Very high	97.7	Very high	75 Å²	75	69.5 Å²	69.5	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-49.3	176.7	-174.3	59	46.6	0	0	111.4	E82 Y83 T88 R89 N90	E82-Q86 VanDerWaalsContact O-CB 3.29Å; E82-Q86 WeakPolarHBondContact O-CB 3.4Å; E82-Q86 PolarHBondContact O-N 3.41Å; Y83-Q86 PolarHBondContact O-N 3.05Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; Q86-T88 PolarHBondContact O-N 2.86Å; Q86-R89 PolarHBondContact O-N 2.95Å; Q86-R89 VanDerWaalsContact O-N 3.15Å; Q86-N90 PolarHBondContact NE2-OD1 3.07Å; Q86-N90 VanDerWaalsContact O-CG 3.24Å; Q86-N90 PolarHBondContact O-N 3.29Å; Q86-N90 PolarHBondContact O-ND2 2.77Å; Q86-N90 PolarHBondContact O-OD1 3.43Å
87	E	98.3	Very high	97.7	Very high	30 Å²	30	73.9 Å²	73.9	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-45.9	179.3	-71.7	-53.5	103.4	0	0	110.7	M69 Y83 R89 N90 V91	M69-E87 HydrophobicContact CB-CB 4.05Å; M69-E87 HydrophobicContact CE-CB 4.49Å; M69-E87 HydrophobicContact CG-CB 4.04Å; Y83-E87 HydrophobicContact CD1-CG 4.44Å; Y83-E87 HydrophobicContact CD2-CG 4.12Å; Y83-E87 HydrophobicContact CE1-CG 4.05Å; Y83-E87 HydrophobicContact CE2-CG 3.7Å; Y83-E87 HydrophobicContact CG-CG 4.47Å; Y83-E87 WeakPolarHBondContact O-CB 3.33Å; Y83-E87 WeakPolarHBondContact O-CG 3.26Å; Y83-E87 PolarHBondContact O-N 3.12Å; E87-R89 VanDerWaalsContact C-N 3.3Å; E87-R89 PolarHBondContact O-N 3.11Å; E87-N90 WeakPolarHBondContact O-CB 3.3Å; E87-N90 PolarHBondContact O-N 2.9Å; E87-N90 VanDerWaalsContact O-N 3.1Å; E87-N90 PolarHBondContact OE1-ND2 2.81Å; E87-V91 WeakPolarHBondContact O-CG2 3.32Å; E87-V91 PolarHBondContact O-N 2.87Å
88	T	98.6	Very high	97.7	Very high	13 Å²	13	68.1 Å²	68.1	8%	0.08	33%	0.328	C	S	.	.	H	α-helix	trans	-57.8	-41.5	175.7	-62.1	0	0	0	0	112.3	R68 M69 W84 Q86 K92	R68-T88 HydrophobicContact CB-CG2 4.48Å; R68-T88 HydrophobicContact CG-CG2 4.23Å; M69-T88 PolarHBondContact N-OG1 3.03Å; W84-T88 VanDerWaalsContact O-CB 3.22Å; W84-T88 WeakPolarHBondContact O-CB 3.26Å; W84-T88 PolarHBondContact O-N 3.05Å; W84-T88 PolarHBondContact O-OG1 2.82Å; Q86-T88 VanDerWaalsContact C-N 3.34Å; Q86-T88 PolarHBondContact O-N 2.86Å; T88-K92 HydrophobicContact CG2-CD 4.23Å; T88-K92 WeakPolarHBondContact O-CB 3.36Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.27Å; T88-K92 PolarHBondContact O-N 2.71Å; T88-K92 VanDerWaalsContact O-N 3.09Å
89	R	98.5	Very high	97.9	Very high	158 Å²	158	67.6 Å²	67.6	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-42.9	175.7	-75.3	-172.1	-62	-173.8	1	111.7	D85 Q86 E87 K92 A93	D85-R89 WeakPolarHBondContact O-CG 3.46Å; D85-R89 PolarHBondContact O-N 3.48Å; Q86-R89 PolarHBondContact O-N 2.95Å; Q86-R89 VanDerWaalsContact O-N 3.15Å; E87-R89 VanDerWaalsContact C-N 3.3Å; E87-R89 PolarHBondContact O-N 3.11Å; R89-K92 PolarHBondContact O-N 3.44Å; R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 2.74Å
90	N	97.6	Very high	97.9	Very high	73 Å²	73	71.5 Å²	71.5	39%	0.39	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-51.8	179.6	-68.6	-16.1	0	0	0	111.5	Q86 E87 K92 A93 H94	Q86-N90 PolarHBondContact NE2-OD1 3.07Å; Q86-N90 VanDerWaalsContact O-CG 3.24Å; Q86-N90 PolarHBondContact O-N 3.29Å; Q86-N90 PolarHBondContact O-ND2 2.77Å; Q86-N90 PolarHBondContact O-OD1 3.43Å; E87-N90 WeakPolarHBondContact O-CB 3.3Å; E87-N90 PolarHBondContact O-N 2.9Å; E87-N90 VanDerWaalsContact O-N 3.1Å; E87-N90 PolarHBondContact OE1-ND2 2.81Å; N90-K92 VanDerWaalsContact C-N 3.32Å; N90-K92 PolarHBondContact O-N 3.16Å; N90-A93 PolarHBondContact O-N 2.7Å; N90-H94 PolarHBondContact O-N 3.24Å
91	V	98	Very high	97.9	Very high	12 Å²	12	65.8 Å²	65.8	7%	0.073	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-30.3	178.7	-83.3	0	0	0	0	113.1	F46 A48 F60 M69 E87 H94 S95	F46-V91 HydrophobicContact CE1-CB 4.1Å; F46-V91 HydrophobicContact CE1-CG1 4.23Å; A48-V91 HydrophobicContact CB-CG1 3.72Å; F60-V91 HydrophobicContact CB-CB 4.45Å; F60-V91 HydrophobicContact CB-CG2 4.02Å; F60-V91 HydrophobicContact CD1-CB 4.41Å; F60-V91 HydrophobicContact CD1-CG2 4.38Å; F60-V91 HydrophobicContact CD2-CB 4.42Å; F60-V91 HydrophobicContact CD2-CG2 3.56Å; F60-V91 HydrophobicContact CE2-CG2 4.07Å; F60-V91 HydrophobicContact CG-CB 4.18Å; F60-V91 HydrophobicContact CG-CG2 3.73Å; M69-V91 HydrophobicContact CE-CB 4.38Å; M69-V91 HydrophobicContact CE-CG1 3.6Å; M69-V91 HydrophobicContact CE-CG2 3.83Å; E87-V91 WeakPolarHBondContact O-CG2 3.32Å; E87-V91 PolarHBondContact O-N 2.87Å; V91-H94 PolarHBondContact O-N 2.87Å; V91-S95 PolarHBondContact O-N 3.21Å
92	K	98.3	Very high	98	Very high	79 Å²	79	62 Å²	62	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-43.6	171.8	-77.7	-175.7	179.9	-174.7	0	111.9	F60 Q67 T88 R89 N90 H94 S95 Q96	F60-K92 HydrophobicContact CE2-CG 4.2Å; F60-K92 HydrophobicContact CZ-CG 4.06Å; Q67-K92 WeakPolarHBondContact O-CE 3.36Å; Q67-K92 PolarHBondContact O-NZ 2.82Å; Q67-K92 VanDerWaalsContact O-NZ 3.13Å; T88-K92 HydrophobicContact CG2-CD 4.23Å; T88-K92 WeakPolarHBondContact O-CB 3.36Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.27Å; T88-K92 PolarHBondContact O-N 2.71Å; T88-K92 VanDerWaalsContact O-N 3.09Å; R89-K92 PolarHBondContact O-N 3.44Å; N90-K92 VanDerWaalsContact C-N 3.32Å; N90-K92 PolarHBondContact O-N 3.16Å; K92-H94 VanDerWaalsContact C-N 3.32Å; K92-H94 PolarHBondContact O-N 3.11Å; K92-S95 PolarHBondContact O-N 2.98Å; K92-S95 PolarHBondContact O-OG 3.15Å; K92-Q96 PolarHBondContact O-N 2.99Å
93	A	98.2	Very high	97.9	Very high	56 Å²	56	57.8 Å²	57.8	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174.5	0	0	0	0	0	111.2	R89 N90 S95 Q96 I97	R89-A93 WeakPolarHBondContact O-CB 3.49Å; R89-A93 PolarHBondContact O-N 2.74Å; N90-A93 PolarHBondContact O-N 2.7Å; A93-S95 PolarHBondContact O-N 3.27Å; A93-Q96 PolarHBondContact O-N 3.08Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; A93-I97 PolarHBondContact O-N 3.3Å
94	H	97.9	Very high	97.9	Very high	44 Å²	44	59.3 Å²	59.3	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-58.5	-45.2	175.1	-163.5	108.9	0	0	0	112.2	F46 N90 V91 K92 Q96 I97 D98 M121	F46-H94 AromaticContact CE2-CD2 3.37Å; F46-H94 WeakPolarHBondContact CE2-CD2 3.35Å; F46-H94 HydrophobicContact CZ-CB 4.12Å; F46-H94 AromaticContact CZ-CD2 3.51Å; F46-H94 AromaticContact CZ-CG 3.96Å; N90-H94 PolarHBondContact O-N 3.24Å; V91-H94 PolarHBondContact O-N 2.87Å; K92-H94 VanDerWaalsContact C-N 3.32Å; K92-H94 PolarHBondContact O-N 3.11Å; H94-Q96 PolarHBondContact O-N 3.25Å; H94-Q96 VanDerWaalsContact O-N 3.16Å; H94-I97 WeakPolarHBondContact O-CB 3.14Å; H94-I97 PolarHBondContact O-N 3.29Å; H94-D98 IonicContact CD2-OD1 2.89Å; H94-D98 IonicContact CD2-OD2 3.01Å; H94-D98 IonicContact NE2-OD1 2.75Å; H94-D98 PolarHBondContact NE2-OD1 2.83Å; H94-D98 IonicContact NE2-OD2 3.15Å; H94-D98 PolarHBondContact O-N 3.26Å; H94-M121 WeakPolarHBondContact CE1-CE 3.3Å
95	S	97.8	Very high	97.9	Very high	17 Å²	17	58 Å²	58	12%	0.119	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-31.4	178.1	77	0	0	0	0	113.5	V91 K92 A93 R99	V91-S95 PolarHBondContact O-N 3.21Å; K92-S95 PolarHBondContact O-N 2.98Å; K92-S95 PolarHBondContact O-OG 3.15Å; A93-S95 PolarHBondContact O-N 3.27Å; S95-R99 WeakPolarHBondContact O-CB 3.21Å; S95-R99 PolarHBondContact O-N 3.47Å; S95-R99 VanDerWaalsContact O-N 3.16Å
96	Q	97.9	Very high	97.9	Very high	106 Å²	106	57.4 Å²	57.4	50%	0.495	29%	0.292	S	S	.	.	H	α-helix	trans	-77.1	-33.4	176.6	-62.2	-51.1	-60.5	0	0	112.2	K92 A93 H94 R99 V100	K92-Q96 PolarHBondContact O-N 2.99Å; A93-Q96 PolarHBondContact O-N 3.08Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; H94-Q96 PolarHBondContact O-N 3.25Å; H94-Q96 VanDerWaalsContact O-N 3.16Å; Q96-R99 PolarHBondContact O-N 2.84Å; Q96-V100 PolarHBondContact O-N 2.91Å
97	I	97.6	Very high	97.9	Very high	92 Å²	92	55.9 Å²	55.9	47%	0.472	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-52.1	172.3	-67.5	165	0	0	0	109.2	A93 H94 R99 V100 D101	A93-I97 PolarHBondContact O-N 3.3Å; H94-I97 WeakPolarHBondContact O-CB 3.14Å; H94-I97 PolarHBondContact O-N 3.29Å; I97-R99 PolarHBondContact O-N 3.07Å; I97-V100 WeakPolarHBondContact O-CA 3.44Å; I97-V100 WeakPolarHBondContact O-CB 3.29Å; I97-V100 PolarHBondContact O-N 2.79Å; I97-D101 WeakPolarHBondContact CG2-OD2 3.22Å; I97-D101 PolarHBondContact O-N 2.83Å
98	D	97.6	Very high	97.9	Very high	6 Å²	6	57 Å²	57	3%	0.032	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-35.6	178.7	-83.2	9.6	0	0	0	113	S35 F46 H94 V100 D101 L102	S35-D98 VanDerWaalsContact CB-OD2 3.25Å; S35-D98 WeakPolarHBondContact CB-OD2 3.18Å; F46-D98 HydrophobicContact CD2-CB 4.45Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.24Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.47Å; H94-D98 IonicContact CD2-OD1 2.89Å; H94-D98 IonicContact CD2-OD2 3.01Å; H94-D98 IonicContact NE2-OD1 2.75Å; H94-D98 PolarHBondContact NE2-OD1 2.83Å; H94-D98 IonicContact NE2-OD2 3.15Å; H94-D98 PolarHBondContact O-N 3.26Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 2.76Å; D98-D101 PolarHBondContact O-N 2.65Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 VanDerWaalsContact O-CG 3.27Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 3.48Å
99	R	97.3	Very high	97.8	Very high	109 Å²	109	59.5 Å²	59.5	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-44.2	174	173.6	-167.6	166.4	150.4	20.1	111.6	E43 P44 S95 Q96 I97	E43-R99 IonicContact OE1-CZ 3.19Å; E43-R99 IonicContact OE1-NE 3.65Å; E43-R99 IonicContact OE1-NH1 3.41Å; E43-R99 PolarHBondContact OE1-NH1 3.25Å; E43-R99 IonicContact OE1-NH2 3.99Å; E43-R99 PolarHBondContact OE1-NH2 3.25Å; E43-R99 WeakPolarHBondContact OE2-CD 3.45Å; E43-R99 IonicContact OE2-CZ 3.47Å; E43-R99 IonicContact OE2-NE 3.43Å; E43-R99 PolarHBondContact OE2-NE 3.18Å; E43-R99 IonicContact OE2-NH1 3.55Å; E43-R99 PolarHBondContact OE2-NH1 3.14Å; E43-R99 VanDerWaalsContact OE2-NH1 3.15Å; E43-R99 IonicContact OE2-NH2 2.78Å; E43-R99 PolarHBondContact OE2-NH2 3.23Å; P44-R99 HydrophobicContact CG-CB 4.41Å; P44-R99 HydrophobicContact CG-CG 4.35Å; S95-R99 WeakPolarHBondContact O-CB 3.21Å; S95-R99 PolarHBondContact O-N 3.47Å; S95-R99 VanDerWaalsContact O-N 3.16Å; Q96-R99 PolarHBondContact O-N 2.84Å; I97-R99 PolarHBondContact O-N 3.07Å
100	V	97.8	Very high	97.8	Very high	93 Å²	93	59.1 Å²	59.1	56%	0.564	32%	0.317	S	S	*	.	H	α-helix	trans	-70.1	-40.7	177.8	174.8	0	0	0	0	110.4	Q96 I97 D98 L102 G103 T104	Q96-V100 PolarHBondContact O-N 2.91Å; I97-V100 WeakPolarHBondContact O-CA 3.44Å; I97-V100 WeakPolarHBondContact O-CB 3.29Å; I97-V100 PolarHBondContact O-N 2.79Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 2.76Å; V100-L102 PolarHBondContact O-N 2.82Å; V100-G103 PolarHBondContact O-N 2.04Å; V100-G103 VanDerWaalsContact O-N 3.17Å; V100-T104 PolarHBondContact O-N 3.29Å; V100-T104 PolarHBondContact O-OG1 2.82Å
101	D	98.1	Very high	97.8	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-35.1	-178.9	-71.3	-20.1	0	0	0	112.2	I97 D98 G103 T104 L105 I119	I97-D101 WeakPolarHBondContact CG2-OD2 3.22Å; I97-D101 PolarHBondContact O-N 2.83Å; D98-D101 PolarHBondContact O-N 2.65Å; D101-G103 VanDerWaalsContact C-N 3.25Å; D101-G103 PolarHBondContact O-N 3.05Å; D101-T104 PolarHBondContact O-N 3.14Å; D101-T104 VanDerWaalsContact O-N 3.1Å; D101-L105 WeakPolarHBondContact O-CB 3.15Å; D101-L105 WeakPolarHBondContact O-CG 3.46Å; D101-L105 PolarHBondContact O-N 3Å; D101-I119 HydrophobicContact CB-CD1 3.71Å
102	L	98.2	Very high	97.7	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-56.7	-40.3	171.6	-82	165.3	0	0	0	111.8	S35 P44 D98 V100 R106 H117 I119 Y142	S35-L102 WeakPolarHBondContact OG-CD1 3.24Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.56Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 VanDerWaalsContact O-CG 3.27Å; D98-L102 WeakPolarHBondContact O-CG 3.4Å; D98-L102 PolarHBondContact O-N 3.48Å; V100-L102 PolarHBondContact O-N 2.82Å; L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 PolarHBondContact O-N 3Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; L102-I119 HydrophobicContact CB-CD1 4.42Å; L102-I119 HydrophobicContact CD2-CD1 4.03Å; L102-I119 HydrophobicContact CD2-CG1 3.81Å; L102-I119 HydrophobicContact CG-CD1 3.77Å; L102-I119 HydrophobicContact CG-CG1 4.1Å; L102-Y142 HydrophobicContact CD2-CE2 4.39Å
103	G	96.7	Very high	97.4	Very high	36 Å²	36	64.3 Å²	64.3	37%	0.371	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-40.7	175.2	0	0	0	0	0	112.7	V100 D101 G107	V100-G103 PolarHBondContact O-N 2.04Å; V100-G103 VanDerWaalsContact O-N 3.17Å; D101-G103 VanDerWaalsContact C-N 3.25Å; D101-G103 PolarHBondContact O-N 3.05Å; G103-G107 PolarHBondContact O-N 2.82Å
104	T	98	Very high	97.2	Very high	49 Å²	49	65.9 Å²	65.9	30%	0.301	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-49.7	178.6	-61	0	0	0	0	111.7	V100 D101 G107 Y108	V100-T104 PolarHBondContact O-N 3.29Å; V100-T104 PolarHBondContact O-OG1 2.82Å; D101-T104 PolarHBondContact O-N 3.14Å; D101-T104 VanDerWaalsContact O-N 3.1Å; T104-G107 WeakPolarHBondContact O-CA 3.42Å; T104-G107 PolarHBondContact O-N 2.86Å; T104-G107 VanDerWaalsContact O-N 3.1Å; T104-Y108 HydrophobicContact CG2-CD1 4.37Å; T104-Y108 HydrophobicContact CG2-CE1 3.82Å; T104-Y108 HydrophobicContact CG2-CE2 3.98Å; T104-Y108 PolarHBondContact O-N 3.14Å
105	L	98.3	Very high	97	Very high	12 Å²	12	64.8 Å²	64.8	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-63.4	-43.8	-180	-68.2	175.8	0	0	0	111.2	D101 G107 Y108 Y109 I119 Y142 Y147	D101-L105 WeakPolarHBondContact O-CB 3.15Å; D101-L105 WeakPolarHBondContact O-CG 3.46Å; D101-L105 PolarHBondContact O-N 3Å; L105-G107 PolarHBondContact O-N 2.9Å; L105-Y108 HydrophobicContact CD2-CD2 4.18Å; L105-Y108 PolarHBondContact O-N 3.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.42Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; L105-Y109 PolarHBondContact O-N 2.89Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.67Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.06Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.43Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.43Å; L105-Y142 HydrophobicContact CD1-CE2 3.77Å; L105-Y142 HydrophobicContact CD1-CG 3.89Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; L105-Y147 HydrophobicContact CD2-CD1 4.49Å; L105-Y147 HydrophobicContact CD2-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.68Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å
106	R	97.4	Very high	97	Very high	74 Å²	74	67.3 Å²	67.3	28%	0.279	38%	0.379	S	S	.	.	H	α-helix	trans	-52.7	-41.4	173	-174.2	-175.6	67.8	176.9	11.6	111.7	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 PolarHBondContact O-N 3Å; R106-N110 PolarHBondContact O-N 3.41Å; R106-N110 VanDerWaalsContact O-N 3.13Å; R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.34Å; R106-Q111 PolarHBondContact O-N 2.65Å; R106-E113 IonicContact CZ-OE1 3.46Å; R106-E113 IonicContact NH1-OE1 3.49Å; R106-E113 IonicContact NH2-OE1 2.77Å; R106-E113 PolarHBondContact NH2-OE1 3.17Å; R106-Y142 PolarHBondContact N-OH 2.93Å
107	G	97.6	Very high	97	Very high	42 Å²	42	63 Å²	63	43%	0.433	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-46.2	174.8	0	0	0	0	0	113.3	G103 T104 L105 Y109 N110	G103-G107 PolarHBondContact O-N 2.82Å; T104-G107 WeakPolarHBondContact O-CA 3.42Å; T104-G107 PolarHBondContact O-N 2.86Å; T104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 2.9Å; G107-Y109 PolarHBondContact O-N 3.49Å; G107-N110 PolarHBondContact O-N 2.86Å; G107-N110 VanDerWaalsContact O-N 3.13Å
108	Y	98.2	Very high	97.1	Very high	54 Å²	54	60.1 Å²	60.1	21%	0.212	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-37.1	177.9	-70.1	-5.9	0	0	0	112.9	T104 L105 A163 I166 K170	T104-Y108 HydrophobicContact CG2-CD1 4.37Å; T104-Y108 HydrophobicContact CG2-CE1 3.82Å; T104-Y108 HydrophobicContact CG2-CE2 3.98Å; T104-Y108 PolarHBondContact O-N 3.14Å; L105-Y108 HydrophobicContact CD2-CD2 4.18Å; L105-Y108 PolarHBondContact O-N 3.49Å; Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y108-I166 HydrophobicContact CD1-CD1 4.32Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.16Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.4Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.49Å; Y108-K170 PolarHBondContact OH-NZ 2.86Å
109	Y	98.1	Very high	97.1	Very high	65 Å²	65	60.4 Å²	60.4	26%	0.255	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.8	179.6	-67.4	-73.7	0	0	0	114.2	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.42Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; L105-Y109 PolarHBondContact O-N 2.89Å; G107-Y109 PolarHBondContact O-N 3.49Å; Y109-Q111 PolarHBondContact O-N 3Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CG 4.38Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Y109-Y147 HydrophobicContact CE2-CD2 4.47Å; Y109-Y147 HydrophobicContact CE2-CE2 4.12Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.48Å; Y109-Y147 VanDerWaalsContact OH-CE2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.17Å; Y109-D161 PolarHBondContact OH-OD1 3.16Å; Y109-D161 PolarHBondContact OH-OD2 2.67Å; Y109-A163 HydrophobicContact CD1-CB 4.24Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 4.01Å
110	N	97.3	Very high	97.2	Very high	150 Å²	150	59 Å²	59	80%	0.802	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	40	-176.8	-58.9	-59.6	0	0	0	113.3	R106 G107	R106-N110 PolarHBondContact O-N 3.41Å; R106-N110 VanDerWaalsContact O-N 3.13Å; G107-N110 PolarHBondContact O-N 2.86Å; G107-N110 VanDerWaalsContact O-N 3.13Å
111	Q	97.6	Very high	97.3	Very high	60 Å²	60	55.3 Å²	55.3	28%	0.28	32%	0.322	S	S	.	.			trans	-88.3	152.3	-176.3	-71.5	167.4	-32.2	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.34Å; R106-Q111 PolarHBondContact O-N 2.65Å; Y109-Q111 PolarHBondContact O-N 3Å; Q111-H117 PolarHBondContact NE2-CE1 2.9Å; Q111-H117 PolarHBondContact OE1-CE1 3.04Å; Q111-H117 PolarHBondContact OE1-ND1 3.25Å; Q111-Y142 PolarHBondContact OE1-OH 2.78Å; Q111-D143 PolarHBondContact NE2-OD2 3.13Å
112	S	95.6	Very high	97.3	Very high	76 Å²	76	53.5 Å²	53.5	53%	0.531	31%	0.312	S	S	.	.			trans	-72.1	152.2	-177.9	74.2	0	0	0	0	113	A114 G115	S112-A114 PolarHBondContact O-N 2.84Å; S112-G115 PolarHBondContact O-N 3.39Å
113	E	91.9	Very high	97.3	Very high	138 Å²	138	55.1 Å²	55.1	65%	0.645	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20	176.5	-53.1	-155.1	124.4	0	0	114.5	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.19Å; P39-E113 WeakPolarHBondContact CG-O 3.13Å; R106-E113 IonicContact CZ-OE1 3.46Å; R106-E113 IonicContact NH1-OE1 3.49Å; R106-E113 IonicContact NH2-OE1 2.77Å; R106-E113 PolarHBondContact NH2-OE1 3.17Å; E113-G115 VanDerWaalsContact C-N 3.28Å
114	A	93.7	Very high	97.4	Very high	88 Å²	88	53.4 Å²	53.4	73%	0.727	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.6	178.9	0	0	0	0	0	113	S112	S112-A114 PolarHBondContact O-N 2.84Å
115	G	94.8	Very high	97.4	Very high	21 Å²	21	51.1 Å²	51.1	22%	0.216	29%	0.286	C	S	.	.	S	Bend	trans	-76.4	136.4	179.9	0	0	0	0	0	112.5	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.47Å; S112-G115 PolarHBondContact O-N 3.39Å; E113-G115 VanDerWaalsContact C-N 3.28Å; G115-H117 PolarHBondContact O-CD2 2.89Å; G115-H117 VanDerWaalsContact O-CD2 3.25Å
116	S	97.6	Very high	97.5	Very high	70 Å²	70	51.2 Å²	51.2	49%	0.49	29%	0.287	S	S	.	.			trans	-85.2	133.9	165.4	179.3	0	0	0	0	108.6	S37	S37-S116 WeakPolarHBondContact O-CB 3.02Å; S37-S116 PolarHBondContact O-OG 2.88Å
117	H	98.4	Very high	97.5	Very high	15 Å²	15	47.7 Å²	47.7	7%	0.069	27%	0.273	C	S	.	.			trans	-132.1	151.3	-174.6	-64	-72.3	0	0	0	110.3	S37 L102 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.36Å; S37-H117 PolarHBondContact OG-N 2.89Å; S37-H117 PolarHBondContact OG-O 3.28Å; L102-H117 HydrophobicContact CD2-CB 4.11Å; Q111-H117 PolarHBondContact NE2-CE1 2.9Å; Q111-H117 PolarHBondContact OE1-CE1 3.04Å; Q111-H117 PolarHBondContact OE1-ND1 3.25Å; G115-H117 PolarHBondContact O-CD2 2.89Å; G115-H117 VanDerWaalsContact O-CD2 3.25Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.34Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 PolarHBondContact ND1-OH 3.23Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.54Å; H117-D143 IonicContact CG-OD1 2.78Å; H117-D143 IonicContact CG-OD2 3.29Å; H117-D143 IonicContact ND1-OD1 2.93Å; H117-D143 IonicContact ND1-OD2 2.96Å; H117-D143 PolarHBondContact ND1-OD2 2.85Å
118	T	98.8	Very high	97.4	Very high	33 Å²	33	46.1 Å²	46.1	20%	0.202	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.2	-175.6	-54.3	0	0	0	0	111.1	T34 S35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 3.83Å; S35-T118 CarbonylContact O-C 3.56Å; S35-T118 VanDerWaalsContact O-CA 3.29Å; S35-T118 WeakPolarHBondContact O-CA 3.05Å; V36-T118 HydrophobicContact CG2-CG2 4.09Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.22Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.38Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 3.14Å
119	I	98.8	Very high	97.1	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.1	162.9	-64	175.2	0	0	0	107.7	T34 S35 D101 L102 L105 A141 Y142	T34-I119 WeakPolarHBondContact CA-O 3.49Å; S35-I119 PolarHBondContact N-O 3.42Å; S35-I119 PolarHBondContact O-N 2.88Å; D101-I119 HydrophobicContact CB-CD1 3.71Å; L102-I119 HydrophobicContact CB-CD1 4.42Å; L102-I119 HydrophobicContact CD2-CD1 4.03Å; L102-I119 HydrophobicContact CD2-CG1 3.81Å; L102-I119 HydrophobicContact CG-CD1 3.77Å; L102-I119 HydrophobicContact CG-CG1 4.1Å; L105-I119 HydrophobicContact CD1-CD1 3.58Å; L105-I119 HydrophobicContact CD1-CG1 3.67Å; I119-A141 WeakPolarHBondContact CA-O 3.39Å; I119-Y142 HydrophobicContact CG1-CD2 3.9Å; I119-Y142 HydrophobicContact CG1-CE2 4.24Å
120	Q	98.8	Very high	96.8	Very high	80 Å²	80	49.1 Å²	49.1	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.6	169.6	-57.1	178.4	-92.8	0	0	108.7	T33 T34 T118 D140 A141	T33-Q120 WeakPolarHBondContact O-CA 3.5Å; T34-Q120 HydrophobicContact CG2-CG 4.16Å; T118-Q120 HydrophobicContact CG2-CG 3.86Å; Q120-D140 CarbonylContact O-C 3.59Å; Q120-D140 WeakPolarHBondContact O-CA 3.04Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.31Å; Q120-A141 PolarHBondContact O-N 3.13Å
121	M	98.6	Very high	96.6	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.7	173.5	177.2	-167.2	62.2	0	0	109.4	F32 T33 H94 Y123 Q138 Q139 D140	F32-M121 CarbonylContact C-O 3.59Å; F32-M121 WeakPolarHBondContact CA-O 3.42Å; T33-M121 HydrophobicContact CG2-CE 3.63Å; T33-M121 PolarHBondContact N-O 2.97Å; T33-M121 PolarHBondContact O-N 2.89Å; T33-M121 VanDerWaalsContact O-N 3.14Å; T33-M121 WeakPolarHBondContact OG1-CB 3.17Å; H94-M121 WeakPolarHBondContact CE1-CE 3.3Å; M121-Y123 HydrophobicContact CE-CD1 3.29Å; M121-Y123 HydrophobicContact CE-CE1 3.3Å; M121-Y123 HydrophobicContact CE-CG 4.46Å; M121-Y123 HydrophobicContact CG-CD1 4.3Å; M121-Y123 HydrophobicContact SD-CD1 3.96Å; M121-Y123 HydrophobicContact SD-CE1 4.46Å; M121-Q138 PolarHBondContact SD-NE2 2.87Å; M121-Q139 CarbonylContact C-O 3.57Å; M121-Q139 VanDerWaalsContact CA-O 3.26Å; M121-Q139 WeakPolarHBondContact CA-O 2.97Å; M121-D140 WeakPolarHBondContact CG-OD1 3.41Å
122	M	98.7	Very high	96.5	Very high	24 Å²	24	47.7 Å²	47.7	12%	0.118	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	168.5	-176.7	-80.2	-64.8	0	0	109.3	Y31 F32 Y137 Q138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.29Å; F32-M122 HydrophobicContact CD1-CB 3.9Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 3.99Å; F32-M122 HydrophobicContact CE1-CG 3.32Å; F32-M122 HydrophobicContact CG-CG 4.5Å; F32-M122 HydrophobicContact CZ-CG 3.9Å; M122-Y137 HydrophobicContact CE-CD1 4.08Å; M122-Y137 HydrophobicContact CE-CG 4.21Å; M122-Y137 HydrophobicContact SD-CG 4.36Å; M122-Q138 CarbonylContact O-C 3.55Å; M122-Q138 WeakPolarHBondContact O-CA 3.36Å; M122-Q139 HydrophobicContact CE-CB 4.35Å; M122-Q139 VanDerWaalsContact CE-CD 3.47Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 2.86Å; M122-Q139 PolarHBondContact O-N 3.41Å
123	Y	98.7	Very high	96.6	Very high	45 Å²	45	46.8 Å²	46.8	18%	0.176	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.3	175.3	71.2	-81.7	0	0	0	111.6	R30 Y31 M121 Y137 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.39Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.73Å; Y31-Y123 HydrophobicContact CD2-CE2 3.73Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.15Å; Y31-Y123 HydrophobicContact CG-CE2 4.06Å; Y31-Y123 AromaticContact CG-CZ 3.67Å; Y31-Y123 PolarHBondContact N-O 2.94Å; Y31-Y123 PolarHBondContact O-N 3.44Å; M121-Y123 HydrophobicContact CE-CD1 3.29Å; M121-Y123 HydrophobicContact CE-CE1 3.3Å; M121-Y123 HydrophobicContact CE-CG 4.46Å; M121-Y123 HydrophobicContact CG-CD1 4.3Å; M121-Y123 HydrophobicContact SD-CD1 3.96Å; M121-Y123 HydrophobicContact SD-CE1 4.46Å; Y123-Y137 WeakPolarHBondContact CA-O 3.15Å; Y123-Y137 WeakPolarHBondContact CB-O 3.46Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 3.97Å
124	G	98.7	Very high	96.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-172	-179.3	0	0	0	0	0	113.5	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.42Å; G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å; G124-Y137 PolarHBondContact N-O 2.93Å; G124-Y137 VanDerWaalsContact N-O 3.14Å; G124-Y137 WeakPolarHBondContact O-CD2 3.39Å; G124-Y137 PolarHBondContact O-N 2.88Å; G124-L184 WeakPolarHBondContact O-CD2 3.04Å
125	C	98.8	Very high	97.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.6	-174.9	56.3	0	0	0	0	111.6	S28 M29 F133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.45Å; M29-C125 PolarHBondContact N-O 3.1Å; M29-C125 PolarHBondContact O-N 3.33Å; C125-F133 HydrophobicContact CB-CD2 4.41Å; C125-F133 HydrophobicContact CB-CE2 4.18Å; C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.13Å; C125-C188 WeakPolarHBondContact SG-CB 3.34Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.18Å
126	D	98.6	Very high	97.3	Very high	14 Å²	14	44.5 Å²	44.5	8%	0.075	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.8	169.6	-55.8	-18.4	0	0	0	109	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.51Å; H27-D126 WeakPolarHBondContact O-CA 3.42Å; S28-D126 WeakPolarHBondContact CB-OD1 3.45Å; R30-D126 IonicContact CZ-OD1 2.7Å; R30-D126 IonicContact NE-OD1 2.74Å; R30-D126 IonicContact NH2-OD1 2.69Å; R30-D126 PolarHBondContact NH2-OD1 2.92Å; R30-D126 IonicContact NH2-OD2 3.11Å; R30-D126 PolarHBondContact NH2-OD2 3.34Å; D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.86Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.31Å; D126-R135 PolarHBondContact O-N 3.21Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.48Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.29Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.26Å
127	V	98.1	Very high	97.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.7	174.4	-62.4	0	0	0	0	110.9	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.58Å; S26-V127 VanDerWaalsContact CA-O 3.26Å; S26-V127 WeakPolarHBondContact CA-O 3.47Å; S26-V127 WeakPolarHBondContact CB-O 3.43Å; H27-V127 HydrophobicContact CB-CG2 3.94Å; H27-V127 PolarHBondContact N-O 3.49Å; H27-V127 PolarHBondContact O-N 3.26Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.28Å; V127-R132 WeakPolarHBondContact CB-O 3.42Å; V127-V189 HydrophobicContact CG1-CB 4.37Å; V127-V189 HydrophobicContact CG1-CG1 3.91Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; V127-L192 HydrophobicContact CB-CD2 4.37Å; V127-L192 HydrophobicContact CG1-CD2 3.97Å; V127-L192 HydrophobicContact CG2-CD2 3.64Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	95.9	Very high	97.3	Very high	9 Å²	9	42.8 Å²	42.8	9%	0.093	21%	0.214	C	C	.	.			trans	-76.4	178.3	175.7	0	0	0	0	0	111.9	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 3.4Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 2.81Å; G128-R132 PolarHBondContact N-O 3.3Å; G128-L134 VanDerWaalsContact CA-CD1 3.44Å; G128-L134 VanDerWaalsContact N-CD1 3.33Å; G128-L134 VanDerWaalsContact N-CG 3.34Å
129	S	91.7	Very high	97.3	Very high	99 Å²	99	45.1 Å²	45.1	69%	0.692	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.5	175.6	60.6	0	0	0	0	114.1	G25 G131	G25-S129 WeakPolarHBondContact O-CA 3.47Å; G25-S129 PolarHBondContact O-N 3.13Å; S129-G131 VanDerWaalsContact C-N 3.26Å
130	D	91.3	Very high	97.3	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	6.4	172.1	61.5	9.6	0	0	0	113.1	G128 R132	G128-D130 PolarHBondContact O-N 3.4Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 IonicContact OD1-NE 3.75Å; D130-R132 IonicContact OD2-CZ 3.97Å; D130-R132 IonicContact OD2-NE 2.89Å; D130-R132 PolarHBondContact OD2-NE 2.91Å; D130-R132 IonicContact OD2-NH2 3.94Å; D130-R132 PolarHBondContact OD2-NH2 3.31Å
131	G	92.6	Very high	97.3	Very high	16 Å²	16	42.9 Å²	42.9	17%	0.165	22%	0.216	C	C	.	.	S	Bend	trans	71	2.5	-177.4	0	0	0	0	0	114.3	G128 S129 R193	G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 2.81Å; S129-G131 VanDerWaalsContact C-N 3.26Å; G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 2.74Å; G131-R193 PolarHBondContact O-NH2 2.97Å
132	R	96.6	Very high	97.3	Very high	165 Å²	165	42.7 Å²	42.7	62%	0.623	21%	0.214	S	C	*	.			trans	-77.8	150	-179.5	-66.5	-171.1	-69.9	151.8	-0.2	111.1	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.28Å; V127-R132 WeakPolarHBondContact CB-O 3.42Å; G128-R132 PolarHBondContact N-O 3.3Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 PolarHBondContact OD1-N 2.99Å; D130-R132 IonicContact OD1-NE 3.75Å; D130-R132 IonicContact OD2-CZ 3.97Å; D130-R132 IonicContact OD2-NE 2.89Å; D130-R132 PolarHBondContact OD2-NE 2.91Å; D130-R132 IonicContact OD2-NH2 3.94Å; D130-R132 PolarHBondContact OD2-NH2 3.31Å; R132-L134 PolarHBondContact O-N 2.66Å
133	F	98.3	Very high	97.3	Very high	57 Å²	57	44.6 Å²	44.6	25%	0.25	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	129.3	174.9	-179.4	-99.9	0	0	0	111.2	C125 R135 L154 L184 E185 V189	C125-F133 HydrophobicContact CB-CD2 4.41Å; C125-F133 HydrophobicContact CB-CE2 4.18Å; F133-R135 VanDerWaalsContact CE2-O 3.29Å; F133-R135 WeakPolarHBondContact CE2-O 3.48Å; F133-L154 HydrophobicContact CE1-CD1 3.92Å; F133-L154 HydrophobicContact CZ-CD1 3.62Å; F133-L184 WeakPolarHBondContact CD2-O 3.37Å; F133-L184 HydrophobicContact CE2-CB 4.33Å; F133-L184 WeakPolarHBondContact CE2-O 3.21Å; F133-E185 HydrophobicContact CD1-CG 4.17Å; F133-E185 HydrophobicContact CD2-CG 4.46Å; F133-E185 HydrophobicContact CE1-CG 4.07Å; F133-E185 HydrophobicContact CE2-CG 4.36Å; F133-E185 HydrophobicContact CG-CG 4.36Å; F133-E185 HydrophobicContact CZ-CG 4.16Å; F133-V189 HydrophobicContact CB-CG2 4.02Å; F133-V189 HydrophobicContact CD2-CG2 3.76Å; F133-V189 HydrophobicContact CG-CG2 4.39Å
134	L	97.7	Very high	97.3	Very high	108 Å²	108	45.2 Å²	45.2	57%	0.565	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	-47	172.1	-68.3	-179	0	0	0	111.5	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.43Å; D126-L134 PolarHBondContact O-N 2.86Å; G128-L134 VanDerWaalsContact CA-CD1 3.44Å; G128-L134 VanDerWaalsContact N-CD1 3.33Å; G128-L134 VanDerWaalsContact N-CG 3.34Å; R132-L134 PolarHBondContact O-N 2.66Å
135	R	98.1	Very high	97.3	Very high	86 Å²	86	52.9 Å²	52.9	33%	0.325	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148.3	-172.3	-173.5	163.8	175.8	131.1	4.4	111.8	C125 D126 F133 Y137 E152	C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; D126-R135 HydrophobicContact CB-CB 4.36Å; D126-R135 PolarHBondContact N-O 3.31Å; D126-R135 PolarHBondContact O-N 3.21Å; F133-R135 VanDerWaalsContact CE2-O 3.29Å; F133-R135 WeakPolarHBondContact CE2-O 3.48Å; R135-Y137 HydrophobicContact CB-CE2 4.12Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 WeakPolarHBondContact CD-OH 3.15Å; R135-Y137 HydrophobicContact CG-CD2 4.41Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.71Å; R135-Y137 VanDerWaalsContact NE-CE1 3.3Å; R135-Y137 PolarHBondContact NE-OH 3.1Å; R135-E152 IonicContact CZ-OE1 3.13Å; R135-E152 IonicContact NH1-OE1 3.29Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH1-OE2 3.48Å; R135-E152 PolarHBondContact NH1-OE2 3.41Å; R135-E152 VanDerWaalsContact NH2-CD 3.3Å; R135-E152 IonicContact NH2-OE1 3.31Å; R135-E152 PolarHBondContact NH2-OE1 3.42Å
136	G	98.5	Very high	97.3	Very high	5 Å²	5	59.4 Å²	59.4	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.6	174.4	0	0	0	0	0	110.7	G124	G124-G136 CarbonylContact O-C 3.57Å; G124-G136 WeakPolarHBondContact O-CA 3.49Å
137	Y	98.6	Very high	97.3	Very high	32 Å²	32	59.1 Å²	59.1	13%	0.125	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.8	-177.2	-55.9	-95.3	0	0	0	110.1	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact CZ-CE2 3.44Å; R30-Y137 PolarHBondContact NH2-OH 2.87Å; R30-Y137 VanDerWaalsContact NH2-OH 3.15Å; M122-Y137 HydrophobicContact CE-CD1 4.08Å; M122-Y137 HydrophobicContact CE-CG 4.21Å; M122-Y137 HydrophobicContact SD-CG 4.36Å; Y123-Y137 WeakPolarHBondContact CA-O 3.15Å; Y123-Y137 WeakPolarHBondContact CB-O 3.46Å; G124-Y137 PolarHBondContact N-O 2.93Å; G124-Y137 VanDerWaalsContact N-O 3.14Å; G124-Y137 WeakPolarHBondContact O-CD2 3.39Å; G124-Y137 PolarHBondContact O-N 2.88Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.48Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.29Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.26Å; R135-Y137 HydrophobicContact CB-CE2 4.12Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 WeakPolarHBondContact CD-OH 3.15Å; R135-Y137 HydrophobicContact CG-CD2 4.41Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.71Å; R135-Y137 VanDerWaalsContact NE-CE1 3.3Å; R135-Y137 PolarHBondContact NE-OH 3.1Å
138	Q	98.6	Very high	97.3	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	114.9	161.9	174.4	75.2	14.2	0	0	105.9	M121 M122 D140 A149 L150 W157 L180	M121-Q138 PolarHBondContact SD-NE2 2.87Å; M122-Q138 CarbonylContact O-C 3.55Å; M122-Q138 WeakPolarHBondContact O-CA 3.36Å; Q138-D140 PolarHBondContact NE2-OD1 2.88Å; Q138-A149 WeakPolarHBondContact O-CA 3.4Å; Q138-L150 HydrophobicContact CB-CB 3.83Å; Q138-L150 HydrophobicContact CB-CD2 4.25Å; Q138-L150 PolarHBondContact O-N 3.45Å; Q138-W157 HydrophobicContact CG-CH2 4.29Å; Q138-W157 HydrophobicContact CG-CZ3 4.21Å; Q138-L180 HydrophobicContact CB-CD1 4.15Å; Q138-L180 HydrophobicContact CG-CD1 3.81Å
139	Q	98.6	Very high	97.5	Very high	83 Å²	83	60 Å²	60	39%	0.388	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.4	-177.1	-61.7	178.3	1.5	0	0	109.3	M121 M122 A149	M121-Q139 CarbonylContact C-O 3.57Å; M121-Q139 VanDerWaalsContact CA-O 3.26Å; M121-Q139 WeakPolarHBondContact CA-O 2.97Å; M122-Q139 HydrophobicContact CE-CB 4.35Å; M122-Q139 VanDerWaalsContact CE-CD 3.47Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 PolarHBondContact N-O 2.86Å; M122-Q139 PolarHBondContact O-N 3.41Å; Q139-A149 HydrophobicContact CG-CB 4.01Å
140	D	98.7	Very high	97.8	Very high	26 Å²	26	55.9 Å²	55.9	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	141.5	178.6	-56.3	0.3	0	0	0	109.1	Q120 M121 Q138 Y147 I148 W171	Q120-D140 CarbonylContact O-C 3.59Å; Q120-D140 WeakPolarHBondContact O-CA 3.04Å; M121-D140 WeakPolarHBondContact CG-OD1 3.41Å; Q138-D140 PolarHBondContact NE2-OD1 2.88Å; D140-Y147 HydrophobicContact CB-CD1 4.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.33Å; D140-Y147 WeakPolarHBondContact O-CB 3.39Å; D140-Y147 PolarHBondContact O-N 3.18Å; D140-I148 HydrophobicContact CB-CG2 4.07Å; D140-I148 PolarHBondContact N-O 3.38Å; D140-I148 PolarHBondContact O-N 2.82Å; D140-W171 WeakPolarHBondContact OD2-CH2 3.31Å
141	A	98.9	Very high	98.2	Very high	18 Å²	18	54 Å²	54	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.7	175.4	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.35Å; Q120-A141 PolarHBondContact N-O 3.31Å; Q120-A141 PolarHBondContact O-N 3.13Å; A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.04Å
142	Y	98.8	Very high	98.4	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.8	177.2	-172.4	-119.4	0	0	0	110.3	L102 L105 R106 Y109 Q111 H117 T118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.39Å; L105-Y142 HydrophobicContact CB-CD1 4.44Å; L105-Y142 HydrophobicContact CB-CD2 4.14Å; L105-Y142 HydrophobicContact CB-CE1 4.06Å; L105-Y142 HydrophobicContact CB-CE2 3.74Å; L105-Y142 HydrophobicContact CB-CG 4.46Å; L105-Y142 HydrophobicContact CD1-CD2 3.43Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.43Å; L105-Y142 HydrophobicContact CD1-CE2 3.77Å; L105-Y142 HydrophobicContact CD1-CG 3.89Å; L105-Y142 HydrophobicContact CG-CD2 4.4Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; R106-Y142 PolarHBondContact N-OH 2.93Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CE1 3.73Å; Y109-Y142 HydrophobicContact CE2-CG 4.38Å; Y109-Y142 HydrophobicContact CG-CE1 4.35Å; Q111-Y142 PolarHBondContact OE1-OH 2.78Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.34Å; H117-Y142 VanDerWaalsContact CG-OH 3.3Å; H117-Y142 PolarHBondContact ND1-OH 3.23Å; T118-Y142 CarbonylContact O-C 3.51Å; T118-Y142 WeakPolarHBondContact O-CA 3.22Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.38Å; I119-Y142 HydrophobicContact CG1-CD2 3.9Å; I119-Y142 HydrophobicContact CG1-CE2 4.24Å; Y142-G144 PolarHBondContact O-N 3.41Å; Y142-K145 PolarHBondContact N-O 3.16Å; Y142-K145 PolarHBondContact O-N 3.42Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.4	Very high	98.5	Very high	63 Å²	63	55.6 Å²	55.6	34%	0.337	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	39.5	-176.1	-67.3	-21	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.13Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 IonicContact CE1-OD2 3.54Å; H117-D143 IonicContact CG-OD1 2.78Å; H117-D143 IonicContact CG-OD2 3.29Å; H117-D143 IonicContact ND1-OD1 2.93Å; H117-D143 IonicContact ND1-OD2 2.96Å; H117-D143 PolarHBondContact ND1-OD2 2.85Å; T118-D143 PolarHBondContact N-OD1 2.83Å; T118-D143 PolarHBondContact O-N 3.14Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.29Å
144	G	97.6	Very high	98.5	Very high	59 Å²	59	53.2 Å²	53.2	61%	0.608	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	10.8	177.2	0	0	0	0	0	115.2	Y142	Y142-G144 PolarHBondContact O-N 3.41Å
145	K	98.6	Very high	98.5	Very high	160 Å²	160	55.5 Å²	55.5	70%	0.696	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	146	175.4	-63.5	178.6	-178.2	176.7	0	110.6	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.6Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.04Å; Y142-K145 PolarHBondContact N-O 3.16Å; Y142-K145 PolarHBondContact O-N 3.42Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 3.29Å; K145-Y147 PolarHBondContact O-N 2.9Å
146	D	98.7	Very high	98.6	Very high	137 Å²	137	53.2 Å²	53.2	73%	0.733	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.5	136.2	173	-63.2	-10	0	0	0	110.3	A160	D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.17Å
147	Y	98.8	Very high	98.6	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-64.8	178	-178.1	-113	0	0	0	110.4	L105 Y109 D140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.49Å; L105-Y147 HydrophobicContact CD2-CD2 4.44Å; L105-Y147 HydrophobicContact CD2-CE1 3.78Å; L105-Y147 HydrophobicContact CD2-CE2 3.68Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.45Å; Y109-Y147 HydrophobicContact CE2-CD2 4.47Å; Y109-Y147 HydrophobicContact CE2-CE2 4.12Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.48Å; Y109-Y147 VanDerWaalsContact OH-CE2 3.28Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; D140-Y147 HydrophobicContact CB-CD1 4.49Å; D140-Y147 WeakPolarHBondContact O-CA 3.33Å; D140-Y147 WeakPolarHBondContact O-CB 3.39Å; D140-Y147 PolarHBondContact O-N 3.18Å; K145-Y147 PolarHBondContact O-N 2.9Å; Y147-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 PolarHBondContact O-N 3.29Å; Y147-A163 HydrophobicContact CE2-CB 4.36Å; Y147-A163 PolarHBondContact OH-O 3.38Å; Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE1-CB 4.5Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 2.99Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.17Å
148	I	98.8	Very high	98.6	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.9	178.3	-164	171.4	0	0	0	110.5	D140 W157 T158 T167 Q168 W171	D140-I148 HydrophobicContact CB-CG2 4.07Å; D140-I148 PolarHBondContact N-O 3.38Å; D140-I148 PolarHBondContact O-N 2.82Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.39Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4Å; I148-T158 WeakPolarHBondContact CA-O 3.37Å; I148-T167 HydrophobicContact CD1-CG2 4.12Å; I148-Q168 HydrophobicContact CD1-CB 3.88Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.8Å
149	A	98.9	Very high	98.6	Very high	26 Å²	26	55.9 Å²	55.9	22%	0.215	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.9	179.2	0	0	0	0	0	111.5	Q138 Q139 W157 T158	Q138-A149 WeakPolarHBondContact O-CA 3.4Å; Q139-A149 HydrophobicContact CG-CB 4.01Å; A149-W157 CarbonylContact O-C 3.53Å; A149-W157 WeakPolarHBondContact O-CA 3.21Å; A149-T158 PolarHBondContact N-O 3.02Å; A149-T158 PolarHBondContact O-N 2.95Å
150	L	98.9	Very high	98.6	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	169.1	-175.5	66.6	0	0	0	108.8	Q138 L154 W157 A177 L180 L184	Q138-L150 HydrophobicContact CB-CB 3.83Å; Q138-L150 HydrophobicContact CB-CD2 4.25Å; Q138-L150 PolarHBondContact O-N 3.45Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.63Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-W157 HydrophobicContact CG-CZ3 4.47Å; L150-A177 HydrophobicContact CD1-CB 3.91Å; L150-L180 HydrophobicContact CD2-CB 4.27Å; L150-L180 HydrophobicContact CD2-CD1 4.43Å; L150-L184 HydrophobicContact CD2-CD1 3.83Å
151	N	98.8	Very high	98.6	Very high	43 Å²	43	56.3 Å²	56.3	23%	0.23	31%	0.312	C	S	.	.			trans	-73.8	164.2	178.9	-66.4	-28	0	0	0	111.2	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.27Å; N151-D153 VanDerWaalsContact O-N 3.1Å; N151-L154 PolarHBondContact O-N 3.19Å; N151-S156 WeakPolarHBondContact CB-O 3.39Å; N151-S156 WeakPolarHBondContact CB-OG 3.35Å; N151-S156 PolarHBondContact N-O 2.85Å; N151-S156 PolarHBondContact ND2-OG 3.47Å; N151-W157 PolarHBondContact ND2-N 3.49Å; N151-T158 PolarHBondContact OD1-OG1 3.16Å
152	E	98.1	Very high	98.5	Very high	136 Å²	136	61.6 Å²	61.6	64%	0.636	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.7	-178.2	-59.8	-174.9	-172.2	0	0	113.9	R135 L154	R135-E152 IonicContact CZ-OE1 3.13Å; R135-E152 IonicContact NH1-OE1 3.29Å; R135-E152 PolarHBondContact NH1-OE1 3.16Å; R135-E152 IonicContact NH1-OE2 3.48Å; R135-E152 PolarHBondContact NH1-OE2 3.41Å; R135-E152 VanDerWaalsContact NH2-CD 3.3Å; R135-E152 IonicContact NH2-OE1 3.31Å; R135-E152 PolarHBondContact NH2-OE1 3.42Å; E152-L154 PolarHBondContact O-N 3.49Å
153	D	98.2	Very high	98.5	Very high	78 Å²	78	61.6 Å²	61.6	42%	0.417	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.6	175	69	5	0	0	0	113.6	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.27Å; N151-D153 VanDerWaalsContact O-N 3.1Å; D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.33Å; D153-R155 PolarHBondContact O-N 3.27Å; D153-R155 PolarHBondContact OD1-N 3.25Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.16Å; D153-S156 PolarHBondContact OD1-OG 3.31Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 3.36Å
154	L	98.5	Very high	98.5	Very high	7 Å²	7	58.6 Å²	58.6	4%	0.037	32%	0.321	C	S	.	.	S	Bend	trans	53.5	28.6	-175.5	-51.1	178.5	0	0	0	113.6	F133 L150 N151 E152 R181 L184 E185	F133-L154 HydrophobicContact CE1-CD1 3.92Å; F133-L154 HydrophobicContact CZ-CD1 3.62Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; N151-L154 PolarHBondContact O-N 3.19Å; E152-L154 PolarHBondContact O-N 3.49Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 3.98Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L154-E185 HydrophobicContact CD1-CG 4.04Å
155	R	98.1	Very high	98.6	Very high	155 Å²	155	58.6 Å²	58.6	59%	0.585	31%	0.306	S	S	*	.	S	Bend	trans	-135.4	-32.5	-173.7	-70.7	169.7	-173	-83.7	12.2	112.4	D153	D153-R155 VanDerWaalsContact O-CG 3.3Å; D153-R155 WeakPolarHBondContact O-CG 3.33Å; D153-R155 PolarHBondContact O-N 3.27Å; D153-R155 PolarHBondContact OD1-N 3.25Å
156	S	98.4	Very high	98.6	Very high	38 Å²	38	54 Å²	54	27%	0.266	29%	0.288	S	S	.	.			trans	-115.4	164.4	-177.8	65.2	0	0	0	0	111.7	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.39Å; N151-S156 WeakPolarHBondContact CB-OG 3.35Å; N151-S156 PolarHBondContact N-O 2.85Å; N151-S156 PolarHBondContact ND2-OG 3.47Å; D153-S156 VanDerWaalsContact CG-OG 3.23Å; D153-S156 PolarHBondContact OD1-N 3.16Å; D153-S156 PolarHBondContact OD1-OG 3.31Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.34Å; D153-S156 PolarHBondContact OD2-OG 3.36Å
157	W	98.8	Very high	98.6	Very high	11 Å²	11	48.3 Å²	48.3	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.4	-175.9	-60.6	93.9	0	0	0	110.9	Q138 I148 A149 L150 N151 Q168 W171 V176 A177 L180	Q138-W157 HydrophobicContact CG-CH2 4.29Å; Q138-W157 HydrophobicContact CG-CZ3 4.21Å; I148-W157 HydrophobicContact CD1-CB 4.2Å; I148-W157 HydrophobicContact CD1-CD2 4.35Å; I148-W157 HydrophobicContact CD1-CE3 4.16Å; I148-W157 HydrophobicContact CD1-CG 4.39Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4Å; A149-W157 CarbonylContact O-C 3.53Å; A149-W157 WeakPolarHBondContact O-CA 3.21Å; L150-W157 HydrophobicContact CB-CE3 4Å; L150-W157 HydrophobicContact CB-CH2 4.12Å; L150-W157 HydrophobicContact CB-CZ3 3.63Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.92Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-W157 HydrophobicContact CG-CZ3 4.47Å; N151-W157 PolarHBondContact ND2-N 3.49Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 2.85Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CH2-CD2 4.41Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CH2 4.41Å; W157-W171 AromaticContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CE3 3.43Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.43Å; W157-W171 AromaticContact CZ2-CZ3 3.97Å; W157-W171 HydrophobicContact CZ2-CZ3 3.97Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; W157-V176 HydrophobicContact CZ2-CB 4.32Å; W157-V176 HydrophobicContact CZ2-CG1 4.12Å; W157-A177 HydrophobicContact CZ2-CB 4.13Å; W157-L180 HydrophobicContact CH2-CD1 3.38Å; W157-L180 HydrophobicContact CZ2-CD1 3.92Å; W157-L180 HydrophobicContact CZ3-CD1 4.46Å
158	T	98.8	Very high	98.6	Very high	78 Å²	78	49.8 Å²	49.8	48%	0.479	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115	164.7	-65.5	0	0	0	0	108.5	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.37Å; A149-T158 PolarHBondContact N-O 3.02Å; A149-T158 PolarHBondContact O-N 2.95Å; N151-T158 PolarHBondContact OD1-OG1 3.16Å
159	A	98.8	Very high	98.5	Very high	21 Å²	21	56.6 Å²	56.6	17%	0.174	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.1	174.5	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.35Å
160	A	98.6	Very high	98.5	Very high	59 Å²	59	61 Å²	61	49%	0.488	31%	0.305	S	S	.	.	S	Bend	trans	-75.3	-31.3	-175.2	0	0	0	0	0	113.2	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.3Å; D146-A160 WeakPolarHBondContact O-CB 3.17Å; Y147-A160 WeakPolarHBondContact O-CB 3.36Å; Y147-A160 PolarHBondContact O-N 3.29Å
161	D	98.4	Very high	98.5	Very high	59 Å²	59	63.2 Å²	63.2	32%	0.316	31%	0.313	S	S	.	.	S	Bend	trans	-152	-173.5	-178.5	69	20.6	0	0	0	113.6	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.29Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.17Å; Y109-D161 PolarHBondContact OH-OD1 3.16Å; Y109-D161 PolarHBondContact OH-OD2 2.67Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.45Å; D161-A163 PolarHBondContact OD1-N 2.91Å; D161-A164 PolarHBondContact O-N 3.44Å; D161-A164 PolarHBondContact OD1-N 3.49Å; D161-Q165 WeakPolarHBondContact O-CG 3.42Å; D161-Q165 PolarHBondContact O-N 2.92Å
162	M	98.3	Very high	98.5	Very high	129 Å²	129	65.5 Å²	65.5	64%	0.635	32%	0.322	S	S	*	.	H	α-helix	trans	-64.7	-30.9	-178.5	-66.7	-58.2	-58.7	0	0	113.4	Q165	M162-Q165 PolarHBondContact SD-OE1 3.4Å
163	A	98	Very high	98.5	Very high	10 Å²	10	63.1 Å²	63.1	8%	0.083	33%	0.326	C	S	.	.	H	α-helix	trans	-71.4	-45	175.9	0	0	0	0	0	109.9	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CD1-CB 4.24Å; Y109-A163 HydrophobicContact CE1-CB 3.65Å; Y109-A163 HydrophobicContact CE2-CB 4.01Å; Y147-A163 HydrophobicContact CE2-CB 4.36Å; Y147-A163 PolarHBondContact OH-O 3.38Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.45Å; D161-A163 PolarHBondContact OD1-N 2.91Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.09Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.42Å; A163-I166 PolarHBondContact O-N 3.36Å
164	A	98.6	Very high	98.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-34.1	175	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.77Å; Y147-A164 HydrophobicContact CE1-CB 4.5Å; Y147-A164 VanDerWaalsContact CE2-CA 3.47Å; Y147-A164 HydrophobicContact CE2-CB 3.66Å; Y147-A164 HydrophobicContact CG-CB 4.27Å; Y147-A164 WeakPolarHBondContact O-CB 2.99Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.44Å; D161-A164 PolarHBondContact OD1-N 3.49Å; A164-I166 PolarHBondContact O-N 3.45Å; A164-T167 WeakPolarHBondContact O-CB 3.27Å; A164-T167 PolarHBondContact O-N 2.93Å; A164-T167 VanDerWaalsContact O-N 3.08Å; A164-Q168 PolarHBondContact O-N 3.24Å
165	Q	98.8	Very high	98.5	Very high	60 Å²	60	69.4 Å²	69.4	28%	0.28	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-26.9	173.8	-74.4	175.8	18.5	0	0	113.2	A159 D161 M162 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.42Å; D161-Q165 PolarHBondContact O-N 2.92Å; M162-Q165 PolarHBondContact SD-OE1 3.4Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.09Å; Q165-R169 WeakPolarHBondContact O-CG 3.39Å; Q165-R169 PolarHBondContact O-N 3.49Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.4	Very high	98.5	Very high	63 Å²	63	63.5 Å²	63.5	32%	0.323	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-45.9	173.9	-55	173.9	0	0	0	109.5	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.32Å; Y108-I166 HydrophobicContact CE1-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CG2 4.16Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 4.15Å; Y108-I166 HydrophobicContact CG-CD1 4.4Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.49Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.42Å; A163-I166 PolarHBondContact O-N 3.36Å; A164-I166 PolarHBondContact O-N 3.45Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 3.29Å
167	T	98.5	Very high	98.5	Very high	17 Å²	17	62 Å²	62	10%	0.104	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-46.3	174.6	-67.8	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.17Å; I148-T167 HydrophobicContact CD1-CG2 4.12Å; A164-T167 WeakPolarHBondContact O-CB 3.27Å; A164-T167 PolarHBondContact O-N 2.93Å; A164-T167 VanDerWaalsContact O-N 3.08Å; T167-R169 PolarHBondContact O-N 3.15Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-K170 VanDerWaalsContact O-N 3.11Å; T167-W171 HydrophobicContact CG2-CD2 3.75Å; T167-W171 HydrophobicContact CG2-CE3 4.25Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.49Å; T167-W171 HydrophobicContact CG2-CZ2 3.99Å; T167-W171 PolarHBondContact O-N 2.93Å
168	Q	98.8	Very high	98.5	Very high	39 Å²	39	66.7 Å²	66.7	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-51.6	-53.1	178	176.2	174.6	14.4	0	0	112	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.88Å; W157-Q168 HydrophobicContact CB-CG 4.07Å; W157-Q168 PolarHBondContact O-NE2 2.85Å; A159-Q168 HydrophobicContact CB-CB 4.35Å; A164-Q168 PolarHBondContact O-N 3.24Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.83Å; Q168-W171 PolarHBondContact O-N 3.49Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 3.11Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.47Å; Q168-E172 PolarHBondContact O-N 3.47Å
169	R	98.8	Very high	98.4	Very high	147 Å²	147	69.4 Å²	69.4	56%	0.555	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-38.2	-179.1	-68.4	172.5	-163	145.6	9.2	112.4	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.39Å; Q165-R169 PolarHBondContact O-N 3.49Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.15Å; R169-A173 WeakPolarHBondContact O-CB 3.5Å; R169-A173 PolarHBondContact O-N 2.87Å
170	K	98.4	Very high	98.4	Very high	118 Å²	118	70 Å²	70	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-45.1	175.7	-72.1	176.7	175.1	-176.7	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.86Å; I166-K170 WeakPolarHBondContact O-CG 3.5Å; I166-K170 PolarHBondContact O-N 3.29Å; T167-K170 WeakPolarHBondContact O-CB 3.44Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-K170 VanDerWaalsContact O-N 3.11Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 2.83Å; K170-A173 PolarHBondContact O-N 2.84Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.75Å
171	W	98.6	Very high	98.4	Very high	59 Å²	59	70.7 Å²	70.7	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-69.5	-36.7	-178.7	-76.8	11	0	0	0	112.9	D140 I148 W157 T167 Q168 A174 R175 V176	D140-W171 WeakPolarHBondContact OD2-CH2 3.31Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.37Å; I148-W171 HydrophobicContact CG2-CH2 4.13Å; I148-W171 HydrophobicContact CG2-CZ3 3.8Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CE3-CZ3 3.94Å; W157-W171 HydrophobicContact CH2-CD2 4.41Å; W157-W171 AromaticContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CE3 3.25Å; W157-W171 HydrophobicContact CH2-CH2 4.41Å; W157-W171 AromaticContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CH2-CZ3 3.26Å; W157-W171 HydrophobicContact CZ2-CD2 4.34Å; W157-W171 AromaticContact CZ2-CE3 3.43Å; W157-W171 HydrophobicContact CZ2-CE3 3.43Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.43Å; W157-W171 AromaticContact CZ2-CZ3 3.97Å; W157-W171 HydrophobicContact CZ2-CZ3 3.97Å; W157-W171 AromaticContact CZ3-CE3 3.5Å; W157-W171 HydrophobicContact CZ3-CE3 3.5Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; T167-W171 HydrophobicContact CG2-CD2 3.75Å; T167-W171 HydrophobicContact CG2-CE3 4.25Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.49Å; T167-W171 HydrophobicContact CG2-CZ2 3.99Å; T167-W171 PolarHBondContact O-N 2.93Å; Q168-W171 PolarHBondContact O-N 3.49Å; Q168-W171 VanDerWaalsContact O-N 3.14Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.89Å; W171-R175 PolarHBondContact O-N 2.86Å; W171-V176 HydrophobicContact CB-CB 4Å; W171-V176 HydrophobicContact CB-CG2 3.95Å; W171-V176 HydrophobicContact CD2-CB 4.46Å; W171-V176 HydrophobicContact CD2-CG1 4.25Å; W171-V176 HydrophobicContact CE3-CG1 4.49Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.37Å
172	E	98.6	Very high	98.4	Very high	91 Å²	91	71 Å²	71	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-64.5	-47.2	172.2	-73.2	170.7	173.7	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 3.11Å; Q168-E172 WeakPolarHBondContact O-CB 3.29Å; Q168-E172 WeakPolarHBondContact O-CG 3.47Å; Q168-E172 PolarHBondContact O-N 3.47Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.83Å; E172-R175 PolarHBondContact O-N 2.64Å; E172-R175 VanDerWaalsContact O-N 3.09Å
173	A	98.6	Very high	98.4	Very high	87 Å²	87	68 Å²	68	72%	0.719	34%	0.34	S	S	*	.	H	α-helix	trans	-61.4	-36.9	177	0	0	0	0	0	112.6	R169 K170 R175	R169-A173 WeakPolarHBondContact O-CB 3.5Å; R169-A173 PolarHBondContact O-N 2.87Å; K170-A173 PolarHBondContact O-N 2.84Å; A173-R175 VanDerWaalsContact C-N 3.34Å
174	A	98.4	Very high	98.5	Very high	60 Å²	60	67.6 Å²	67.6	50%	0.496	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1	177.3	0	0	0	0	0	114	K170 W171 E172 V176	K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.75Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.89Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 2.83Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.04Å; A174-V176 PolarHBondContact O-N 3.19Å
175	R	98.1	Very high	98.5	Very high	157 Å²	157	71.3 Å²	71.3	59%	0.592	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40	-178.2	-56.7	-177.7	174.3	-154.4	3.7	113.9	W171 E172 A173 A177 E178	W171-R175 PolarHBondContact O-N 2.86Å; E172-R175 PolarHBondContact O-N 2.64Å; E172-R175 VanDerWaalsContact O-N 3.09Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 2.87Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 IonicContact NH1-OE1 3.79Å; R175-E178 PolarHBondContact NH1-OE1 2.93Å; R175-E178 IonicContact NH1-OE2 3.68Å; R175-E178 WeakPolarHBondContact O-CB 3.47Å; R175-E178 PolarHBondContact O-N 3.31Å; R175-E178 VanDerWaalsContact O-N 3.08Å
176	V	98.5	Very high	98.5	Very high	30 Å²	30	69.5 Å²	69.5	18%	0.182	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-35.5	-178	175.6	0	0	0	0	111.7	W157 W171 A174 E178 Q179 L180	W157-V176 HydrophobicContact CZ2-CB 4.32Å; W157-V176 HydrophobicContact CZ2-CG1 4.12Å; W171-V176 HydrophobicContact CB-CB 4Å; W171-V176 HydrophobicContact CB-CG2 3.95Å; W171-V176 HydrophobicContact CD2-CB 4.46Å; W171-V176 HydrophobicContact CD2-CG1 4.25Å; W171-V176 HydrophobicContact CE3-CG1 4.49Å; W171-V176 HydrophobicContact CG-CB 4.11Å; W171-V176 HydrophobicContact CG-CG1 4.4Å; W171-V176 HydrophobicContact CG-CG2 3.88Å; W171-V176 PolarHBondContact O-N 3.37Å; A174-V176 VanDerWaalsContact C-N 3.25Å; A174-V176 HydrophobicContact CB-CG2 4.04Å; A174-V176 PolarHBondContact O-N 3.19Å; V176-E178 VanDerWaalsContact C-N 3.25Å; V176-E178 PolarHBondContact O-N 3.04Å; V176-Q179 PolarHBondContact O-N 3Å; V176-Q179 VanDerWaalsContact O-N 3.13Å; V176-L180 HydrophobicContact CG1-CD1 3.98Å; V176-L180 HydrophobicContact CG1-CG 4.29Å; V176-L180 PolarHBondContact O-N 3.3Å; V176-L180 VanDerWaalsContact O-N 3.09Å
177	A	98.6	Very high	98.4	Very high	8 Å²	8	69.2 Å²	69.2	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-58.4	-35	177.6	0	0	0	0	0	112.9	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 3.91Å; W157-A177 HydrophobicContact CZ2-CB 4.13Å; R175-A177 PolarHBondContact O-N 2.87Å; A177-Q179 PolarHBondContact O-N 3.4Å; A177-L180 PolarHBondContact O-N 3.38Å; A177-R181 WeakPolarHBondContact O-CB 3.19Å; A177-R181 PolarHBondContact O-N 3.08Å
178	E	98.3	Very high	98.4	Very high	109 Å²	109	68.4 Å²	68.4	51%	0.509	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-38.4	178.4	-64.4	179.6	-173.9	0	0	111.7	R175 V176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 IonicContact NH1-OE1 3.79Å; R175-E178 PolarHBondContact NH1-OE1 2.93Å; R175-E178 IonicContact NH1-OE2 3.68Å; R175-E178 WeakPolarHBondContact O-CB 3.47Å; R175-E178 PolarHBondContact O-N 3.31Å; R175-E178 VanDerWaalsContact O-N 3.08Å; V176-E178 VanDerWaalsContact C-N 3.25Å; V176-E178 PolarHBondContact O-N 3.04Å; E178-A182 PolarHBondContact O-N 3.26Å; E178-A182 VanDerWaalsContact O-N 3.1Å
179	Q	97.5	Very high	98.4	Very high	135 Å²	135	66.9 Å²	66.9	63%	0.631	34%	0.34	S	S	*	.	H	α-helix	trans	-69	-45.4	178.1	-60.6	176.6	44.3	0	0	111.2	V176 A177 R181 A182 Y183	V176-Q179 PolarHBondContact O-N 3Å; V176-Q179 VanDerWaalsContact O-N 3.13Å; A177-Q179 PolarHBondContact O-N 3.4Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; Q179-A182 PolarHBondContact O-N 3.3Å; Q179-Y183 PolarHBondContact O-N 3Å
180	L	98.3	Very high	98.4	Very high	34 Å²	34	66 Å²	66	18%	0.178	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-42.4	176.8	-69.3	172.6	0	0	0	111.3	Q138 L150 W157 V176 A177 A182 Y183 L184	Q138-L180 HydrophobicContact CB-CD1 4.15Å; Q138-L180 HydrophobicContact CG-CD1 3.81Å; L150-L180 HydrophobicContact CD2-CB 4.27Å; L150-L180 HydrophobicContact CD2-CD1 4.43Å; W157-L180 HydrophobicContact CH2-CD1 3.38Å; W157-L180 HydrophobicContact CZ2-CD1 3.92Å; W157-L180 HydrophobicContact CZ3-CD1 4.46Å; V176-L180 HydrophobicContact CG1-CD1 3.98Å; V176-L180 HydrophobicContact CG1-CG 4.29Å; V176-L180 PolarHBondContact O-N 3.3Å; V176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3.38Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.86Å; L180-Y183 PolarHBondContact O-N 3.33Å; L180-Y183 VanDerWaalsContact O-N 3.16Å; L180-L184 HydrophobicContact CB-CD1 4.43Å; L180-L184 WeakPolarHBondContact O-CB 3.2Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 3.26Å
181	R	98.6	Very high	98.4	Very high	73 Å²	73	63.9 Å²	63.9	28%	0.275	33%	0.331	S	S	.	.	H	α-helix	trans	-57.9	-43.6	175.6	-176.7	172.4	-179.1	-127.9	-14.9	112.1	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 3.98Å; A177-R181 WeakPolarHBondContact O-CB 3.19Å; A177-R181 PolarHBondContact O-N 3.08Å; Q179-R181 VanDerWaalsContact C-N 3.34Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.76Å; R181-L184 PolarHBondContact O-N 3.29Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 3.77Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 3.69Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.31Å; R181-E185 PolarHBondContact NE-OE1 3.1Å; R181-E185 IonicContact NE-OE2 3.86Å; R181-E185 PolarHBondContact NE-OE2 3.48Å; R181-E185 IonicContact NH2-OE1 3.7Å; R181-E185 PolarHBondContact NH2-OE1 2.87Å; R181-E185 IonicContact NH2-OE2 2.82Å; R181-E185 PolarHBondContact NH2-OE2 3.48Å; R181-E185 VanDerWaalsContact NH2-OE2 3.13Å; R181-E185 WeakPolarHBondContact O-CB 3.38Å; R181-E185 PolarHBondContact O-N 3.24Å
182	A	98.6	Very high	98.4	Very high	66 Å²	66	61 Å²	61	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-40.4	176.8	0	0	0	0	0	112.4	E178 Q179 L180 G186	E178-A182 PolarHBondContact O-N 3.26Å; E178-A182 VanDerWaalsContact O-N 3.1Å; Q179-A182 PolarHBondContact O-N 3.3Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.86Å; A182-G186 PolarHBondContact O-N 3.08Å
183	Y	98.4	Very high	98.3	Very high	64 Å²	64	62.3 Å²	62.3	25%	0.251	32%	0.322	S	S	.	.	I	π-helix	trans	-66.2	-48.7	173.4	170	-96.6	0	0	0	112.1	Y123 Q179 L180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.97Å; Y123-Y183 HydrophobicContact CE2-CE1 3.97Å; Q179-Y183 PolarHBondContact O-N 3Å; L180-Y183 PolarHBondContact O-N 3.33Å; L180-Y183 VanDerWaalsContact O-N 3.16Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.76Å; Y183-G186 CarbonylContact O-C 3.49Å; Y183-G186 PolarHBondContact O-N 3.23Å; Y183-T187 HydrophobicContact CD2-CG2 4.03Å; Y183-T187 HydrophobicContact CE2-CG2 3.95Å; Y183-T187 PolarHBondContact O-N 3.09Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.83Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 3.13Å
184	L	98.8	Very high	98.2	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.308	C	S	.	.	I	π-helix	trans	-67.5	-42.3	-173	-69.6	170.4	0	0	0	112.6	G124 F133 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.04Å; F133-L184 WeakPolarHBondContact CD2-O 3.37Å; F133-L184 HydrophobicContact CE2-CB 4.33Å; F133-L184 WeakPolarHBondContact CE2-O 3.21Å; L150-L184 HydrophobicContact CD2-CD1 3.83Å; L154-L184 HydrophobicContact CD2-CD1 4.02Å; L180-L184 HydrophobicContact CB-CD1 4.43Å; L180-L184 WeakPolarHBondContact O-CB 3.2Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 3.26Å; R181-L184 PolarHBondContact O-N 3.29Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å
185	E	98.6	Very high	98.2	Very high	79 Å²	79	61 Å²	61	37%	0.369	29%	0.285	S	S	.	.	I	π-helix	trans	-80.6	-21.8	178.3	-66.7	-178.6	169	0	0	112.6	F133 L154 R181	F133-E185 HydrophobicContact CD1-CG 4.17Å; F133-E185 HydrophobicContact CD2-CG 4.46Å; F133-E185 HydrophobicContact CE1-CG 4.07Å; F133-E185 HydrophobicContact CE2-CG 4.36Å; F133-E185 HydrophobicContact CG-CG 4.36Å; F133-E185 HydrophobicContact CZ-CG 4.16Å; L154-E185 HydrophobicContact CD1-CG 4.04Å; R181-E185 HydrophobicContact CG-CG 4.11Å; R181-E185 IonicContact CZ-OE1 3.77Å; R181-E185 VanDerWaalsContact CZ-OE1 3.29Å; R181-E185 IonicContact CZ-OE2 3.69Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.31Å; R181-E185 PolarHBondContact NE-OE1 3.1Å; R181-E185 IonicContact NE-OE2 3.86Å; R181-E185 PolarHBondContact NE-OE2 3.48Å; R181-E185 IonicContact NH2-OE1 3.7Å; R181-E185 PolarHBondContact NH2-OE1 2.87Å; R181-E185 IonicContact NH2-OE2 2.82Å; R181-E185 PolarHBondContact NH2-OE2 3.48Å; R181-E185 VanDerWaalsContact NH2-OE2 3.13Å; R181-E185 WeakPolarHBondContact O-CB 3.38Å; R181-E185 PolarHBondContact O-N 3.24Å
186	G	98.4	Very high	98	Very high	21 Å²	21	54 Å²	54	22%	0.216	26%	0.26	C	S	.	.	I	π-helix	trans	-109.3	-95.2	-176.4	0	0	0	0	0	112.7	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.08Å; Y183-G186 CarbonylContact O-C 3.49Å; Y183-G186 PolarHBondContact O-N 3.23Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.93Å; G186-C188 VanDerWaalsContact O-N 3.17Å; G186-V189 PolarHBondContact O-N 3.21Å; G186-E190 WeakPolarHBondContact O-CG 3.28Å; G186-E190 PolarHBondContact O-N 3.13Å
187	T	98.2	Very high	97.9	Very high	57 Å²	57	58.4 Å²	58.4	35%	0.35	28%	0.278	S	S	.	.	I	π-helix	trans	-52.4	-41.3	-171.5	-57.1	0	0	0	0	113.4	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.03Å; Y183-T187 HydrophobicContact CE2-CG2 3.95Å; Y183-T187 PolarHBondContact O-N 3.09Å; Y183-T187 VanDerWaalsContact O-N 3.13Å; T187-V189 PolarHBondContact O-N 3.1Å; T187-E190 PolarHBondContact O-N 2.8Å; T187-W191 VanDerWaalsContact O-CD1 3.23Å; T187-W191 PolarHBondContact O-N 3.3Å
188	C	98.6	Very high	97.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-47.1	177.5	-174.6	0	0	0	0	111.8	M29 C125 Y183 G186 W191 L192	M29-C188 HydrophobicContact CE-CB 4.23Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.34Å; C125-C188 PolarHBondContact N-SG 3.13Å; C125-C188 WeakPolarHBondContact SG-CB 3.34Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.18Å; Y183-C188 HydrophobicContact CD1-CB 4.28Å; Y183-C188 HydrophobicContact CE1-CB 3.83Å; Y183-C188 WeakPolarHBondContact O-CB 3.43Å; Y183-C188 PolarHBondContact O-N 3.13Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 2.93Å; G186-C188 VanDerWaalsContact O-N 3.17Å; C188-W191 PolarHBondContact O-N 2.78Å; C188-L192 WeakPolarHBondContact O-CB 3.33Å; C188-L192 PolarHBondContact O-N 3.17Å
189	V	98.6	Very high	97.4	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-41.4	179.5	173.8	0	0	0	0	111.1	V127 F133 L184 G186 T187 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.37Å; V127-V189 HydrophobicContact CG1-CG1 3.91Å; V127-V189 HydrophobicContact CG1-CG2 4.01Å; F133-V189 HydrophobicContact CB-CG2 4.02Å; F133-V189 HydrophobicContact CD2-CG2 3.76Å; F133-V189 HydrophobicContact CG-CG2 4.39Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å; G186-V189 PolarHBondContact O-N 3.21Å; T187-V189 PolarHBondContact O-N 3.1Å; V189-L192 PolarHBondContact O-N 3.19Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 3.02Å
190	E	98.4	Very high	97	Very high	128 Å²	128	53.2 Å²	53.2	60%	0.598	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-47.5	178	-70.2	174.8	173.9	0	0	111.9	G186 T187 R193 R194	G186-E190 WeakPolarHBondContact O-CG 3.28Å; G186-E190 PolarHBondContact O-N 3.13Å; T187-E190 PolarHBondContact O-N 2.8Å; E190-R193 PolarHBondContact O-N 3.19Å; E190-R194 PolarHBondContact O-N 3.1Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	98.2	Very high	96.4	Very high	74 Å²	74	59.5 Å²	59.5	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-68.6	-41.7	178.3	-82	107.8	0	0	0	112.7	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.13Å; M29-W191 HydrophobicContact SD-CB 4.46Å; Y83-W191 AromaticContact CD2-CH2 3.39Å; Y83-W191 HydrophobicContact CD2-CH2 3.39Å; Y83-W191 HydrophobicContact CD2-CZ2 4.04Å; Y83-W191 AromaticContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CD2-CZ3 3.8Å; Y83-W191 HydrophobicContact CE2-CE3 4.29Å; Y83-W191 AromaticContact CE2-CH2 3.71Å; Y83-W191 HydrophobicContact CE2-CH2 3.71Å; Y83-W191 HydrophobicContact CE2-CZ2 4.25Å; Y83-W191 AromaticContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CE2-CZ3 3.72Å; Y83-W191 HydrophobicContact CG-CH2 4.48Å; T187-W191 VanDerWaalsContact O-CD1 3.23Å; T187-W191 PolarHBondContact O-N 3.3Å; C188-W191 PolarHBondContact O-N 2.78Å; W191-R193 VanDerWaalsContact C-N 3.31Å; W191-R193 PolarHBondContact O-N 2.87Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 3.03Å; W191-R194 VanDerWaalsContact O-N 3.12Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.32Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.28Å; W191-Y195 AromaticContact CE3-CZ 3.37Å; W191-Y195 AromaticContact CZ3-CE1 3.79Å; W191-Y195 HydrophobicContact CZ3-CE1 3.79Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.39Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.29Å
192	L	98.3	Very high	95.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-45.6	175.9	175.3	51.2	0	0	0	111	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.36Å; H27-L192 HydrophobicContact CB-CD2 4.5Å; M29-L192 HydrophobicContact CB-CB 4.09Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 4.1Å; M29-L192 HydrophobicContact CB-CG 4.28Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.71Å; V52-L192 HydrophobicContact CG2-CD1 4.33Å; V127-L192 HydrophobicContact CB-CD2 4.37Å; V127-L192 HydrophobicContact CG1-CD2 3.97Å; V127-L192 HydrophobicContact CG2-CD2 3.64Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.33Å; C188-L192 PolarHBondContact O-N 3.17Å; V189-L192 PolarHBondContact O-N 3.19Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.49Å; L192-Y195 PolarHBondContact O-N 3.19Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CD2 4.46Å; L192-L196 HydrophobicContact CD1-CG 3.92Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.14Å
193	R	96.9	Very high	95	Very high	118 Å²	118	57.9 Å²	57.9	45%	0.445	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-42.4	175.4	-71.6	174.8	-178.3	179	1.1	112.5	G131 V189 E190 W191 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.3Å; G131-R193 PolarHBondContact O-NE 2.74Å; G131-R193 PolarHBondContact O-NH2 2.97Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 3.02Å; E190-R193 PolarHBondContact O-N 3.19Å; W191-R193 VanDerWaalsContact C-N 3.31Å; W191-R193 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 3.35Å; R193-E197 PolarHBondContact O-N 2.85Å
194	R	96.8	Very high	94.1	Very high	116 Å²	116	58.7 Å²	58.7	44%	0.438	28%	0.278	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.7	179.8	179.5	173.9	99.4	-2.6	111.5	E79 E190 W191 L192 L196 E197 N198	E79-R194 IonicContact OE1-CZ 3.69Å; E79-R194 IonicContact OE1-NE 3.82Å; E79-R194 PolarHBondContact OE1-NE 3.37Å; E79-R194 IonicContact OE1-NH2 2.7Å; E79-R194 PolarHBondContact OE1-NH2 2.93Å; E79-R194 IonicContact OE2-CZ 2.7Å; E79-R194 IonicContact OE2-NE 3.78Å; E79-R194 PolarHBondContact OE2-NE 2.93Å; E79-R194 IonicContact OE2-NH2 2.87Å; E79-R194 PolarHBondContact OE2-NH2 3.24Å; E190-R194 PolarHBondContact O-N 3.1Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.47Å; W191-R194 PolarHBondContact O-N 3.03Å; W191-R194 VanDerWaalsContact O-N 3.12Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.49Å; R194-L196 VanDerWaalsContact C-N 3.35Å; R194-E197 PolarHBondContact O-N 3.14Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 PolarHBondContact O-N 3.41Å; R194-N198 PolarHBondContact O-OD1 3.46Å
195	Y	96.8	Very high	92.7	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-66.6	-37	179.3	-61	-30.4	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199	M29-Y195 HydrophobicContact SD-CD2 3.7Å; M29-Y195 HydrophobicContact SD-CE2 3.51Å; M29-Y195 VanDerWaalsContact SD-CE2 3.51Å; V52-Y195 HydrophobicContact CG2-CD2 3.84Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; F57-Y195 HydrophobicContact CE2-CD2 4.12Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.85Å; F57-Y195 HydrophobicContact CZ-CD2 4.15Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.81Å; W75-Y195 HydrophobicContact CZ3-CD1 3.81Å; W75-Y195 AromaticContact CZ3-CG 3.74Å; W75-Y195 HydrophobicContact CZ3-CG 3.74Å; I76-Y195 HydrophobicContact CD1-CD1 3.7Å; I76-Y195 HydrophobicContact CD1-CE1 3.31Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 2.98Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CD2-CE1 4.49Å; W191-Y195 HydrophobicContact CE3-CD1 4.32Å; W191-Y195 AromaticContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE1 3.4Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.4Å; W191-Y195 HydrophobicContact CE3-CE2 4.28Å; W191-Y195 AromaticContact CE3-CZ 3.37Å; W191-Y195 AromaticContact CZ3-CE1 3.79Å; W191-Y195 HydrophobicContact CZ3-CE1 3.79Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.39Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.29Å; L192-Y195 PolarHBondContact O-N 3.19Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 3.17Å; Y195-N198 PolarHBondContact O-N 3.46Å; Y195-G199 PolarHBondContact O-N 2.88Å
196	L	95.8	Very high	90.6	Very high	12 Å²	12	74.8 Å²	74.8	6%	0.063	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-38.3	173.5	-71.5	169.2	0	0	0	112.3	H27 V52 L192 R193 R194 K200 L203	H27-L196 HydrophobicContact CB-CD1 3.62Å; H27-L196 HydrophobicContact CB-CD2 4.02Å; H27-L196 HydrophobicContact CB-CG 4.39Å; H27-L196 VanDerWaalsContact ND1-CD2 3.33Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.25Å; V52-L196 HydrophobicContact CG1-CD2 3.99Å; V52-L196 HydrophobicContact CG1-CG 4.48Å; L192-L196 HydrophobicContact CD1-CD1 3.87Å; L192-L196 HydrophobicContact CD1-CD2 4.46Å; L192-L196 HydrophobicContact CD1-CG 3.92Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 WeakPolarHBondContact O-CB 3.34Å; L192-L196 VanDerWaalsContact O-CG 3.24Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3.14Å; R193-L196 PolarHBondContact O-N 3.35Å; R194-L196 VanDerWaalsContact C-N 3.35Å; L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.46Å; L196-K200 PolarHBondContact O-N 2.94Å; L196-L203 HydrophobicContact CD2-CB 4.33Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å
197	E	94.6	Very high	90.2	Very high	121 Å²	121	77.5 Å²	77.5	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-69.2	-45.8	174.3	-172.1	59.8	-154.3	0	0	111.3	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact O-N 3.14Å; Y195-E197 VanDerWaalsContact C-N 3.33Å; Y195-E197 PolarHBondContact O-N 3.17Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.31Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 2.97Å
198	N	93.8	Very high	89.8	Confident	38 Å²	38	78.5 Å²	78.5	20%	0.203	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-42.5	177.6	-68.6	-2.8	0	0	0	112.2	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.44Å; W75-N198 WeakPolarHBondContact CB-O 3.45Å; W75-N198 HydrophobicContact CE3-CB 4.36Å; Q78-N198 PolarHBondContact NE2-ND2 3.11Å; Q78-N198 PolarHBondContact NE2-OD1 2.89Å; E79-N198 PolarHBondContact OE1-ND2 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 PolarHBondContact O-N 3.41Å; R194-N198 PolarHBondContact O-OD1 3.46Å; Y195-N198 PolarHBondContact O-N 3.46Å
199	G	92.8	Very high	89.3	Confident	2 Å²	2	82.9 Å²	82.9	2%	0.021	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	14.3	-175.3	0	0	0	0	0	114.3	Y195 E197 E201 T202 L203	Y195-G199 PolarHBondContact O-N 2.88Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.31Å; G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.26Å; G199-E201 VanDerWaalsContact O-N 3.11Å; G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.5Å; G199-T202 PolarHBondContact O-N 2.96Å; G199-T202 PolarHBondContact O-OG1 2.92Å; G199-L203 PolarHBondContact O-N 3.05Å
200	K	90.1	Very high	88.8	Confident	104 Å²	104	87.4 Å²	87.4	45%	0.452	41%	0.408	S	S	.	.	H	α-helix	trans	-49.7	-41.7	-170.3	-177	172.5	-173.8	173.6	0	114.3	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CA 3.35Å; L196-K200 WeakPolarHBondContact O-CB 3.46Å; L196-K200 PolarHBondContact O-N 2.94Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 2.97Å; K200-T202 PolarHBondContact O-N 2.85Å; K200-Q204 PolarHBondContact O-N 3.43Å
201	E	86.1	Confident	88.2	Confident	166 Å²	166	84.8 Å²	84.8	78%	0.776	40%	0.396	S	S	*	.	H	α-helix	trans	-65.9	-21.2	179.8	-61.8	-171.9	167.4	0	0	113.7	G199 R205	G199-E201 VanDerWaalsContact C-N 3.26Å; G199-E201 PolarHBondContact O-N 3.26Å; G199-E201 VanDerWaalsContact O-N 3.11Å; E201-R205 VanDerWaalsContact O-CD 3.24Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 WeakPolarHBondContact O-CG 3.45Å; E201-R205 PolarHBondContact O-NE 3.35Å
202	T	84.4	Confident	87.5	Confident	85 Å²	85	85.5 Å²	85.5	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-109.5	-41.2	-177.1	54.4	0	0	0	0	113.4	G199 K200	G199-T202 CarbonylContact O-C 3.58Å; G199-T202 WeakPolarHBondContact O-CA 3.5Å; G199-T202 PolarHBondContact O-N 2.96Å; G199-T202 PolarHBondContact O-OG1 2.92Å; K200-T202 PolarHBondContact O-N 2.85Å
203	L	82.6	Confident	86.7	Confident	19 Å²	19	91.6 Å²	91.6	10%	0.099	43%	0.432	C	S	.	.	H	α-helix	trans	-87.6	-23.6	-172.1	-61.5	170.6	0	0	0	113.1	V52 T55 W75 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.42Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.4Å; T55-L203 HydrophobicContact CG2-CD2 4.22Å; W75-L203 HydrophobicContact CZ2-CD1 3.91Å; W75-L203 HydrophobicContact CZ2-CD2 4.41Å; L196-L203 HydrophobicContact CD2-CB 4.33Å; L196-L203 HydrophobicContact CD2-CD1 4.34Å; G199-L203 PolarHBondContact O-N 3.05Å
204	Q	78.5	Confident	86	Confident	81 Å²	81	89.6 Å²	89.6	38%	0.379	43%	0.431	S	S	.	.	S	Bend	trans	-109.3	17.4	-176.8	-61	-177.5	0.8	0	0	113.2	K200 T206	K200-Q204 PolarHBondContact O-N 3.43Å; Q204-T206 PolarHBondContact O-N 3.09Å
205	R	71.1	Confident	85.1	Confident	207 Å²	207	87.4 Å²	87.4	78%	0.781	43%	0.431	S	S	*	.			trans	-72.9	114.9	170.8	-86.4	179.3	158.9	163.3	-1.8	109.1	E201	E201-R205 VanDerWaalsContact O-CD 3.24Å; E201-R205 WeakPolarHBondContact O-CD 3.32Å; E201-R205 WeakPolarHBondContact O-CG 3.45Å; E201-R205 PolarHBondContact O-NE 3.35Å
206	T	54.2	Low	84	Confident	212 Å²	212	95.2 Å²	95.2	100%	1.301	47%	0.469	S	S	*	.			trans	-89.8	0	170.9	31.9	0	0	0	0	111.1	Q204	Q204-T206 PolarHBondContact O-N 3.09Å

Retrieved 206 of 206 residues in 1096.6 ms (Link to these results)

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