A0A087WZI5_HUMAN Loading...

Asparaginase and isoaspartyl peptidase 1

AlphaFold DB , UniProt , Accession A0A087WZI5, Species HUMAN (Homo sapiens, Human), Gene ASRGL1, Length 133 aa.

						>A0A087WZI5_HUMAN|A0A087WZI5|ASRGL1
MVRAATVGYGILREGGSAVDAVEGAVVALEDDPEFNAGCGSVLNTNGEVEMDASIMDGKDLSAGAVSAVQCIANPIKLARLVMEKTPHCFLTDQGAAQFAAAMGVPEIPGEKLVTERNKKRLEKEKHEKGAQK
					

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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	75.6	Confident	95.7	Very high	161 Å²	161	78 Å²	78	79%	0.793	42%	0.423	S	S	*	.				0	-57.8	0	-63.2	-159.1	105.1	0	0	114	R3 A4 A5 F35	M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3Å; M1-A4 PolarHBondContact O-N 3.31Å; M1-A5 PolarHBondContact O-N 3.36Å; M1-F35 HydrophobicContact CG-CE1 4.18Å; M1-F35 HydrophobicContact CG-CZ 3.82Å
2	V	94.3	Very high	95.9	Very high	117 Å²	117	79.3 Å²	79.3	71%	0.709	43%	0.428	S	S	*	.	H	α-helix	trans	-55.2	-43.8	179.3	177.6	0	0	0	0	111.8	A4 A5 T6	V2-A4 PolarHBondContact O-N 3.35Å; V2-A5 PolarHBondContact O-N 3.02Å; V2-T6 WeakPolarHBondContact O-CB 3.35Å; V2-T6 PolarHBondContact O-N 3.3Å; V2-T6 PolarHBondContact O-OG1 3.32Å
3	R	96.1	Very high	96.1	Very high	142 Å²	142	87.5 Å²	87.5	54%	0.536	45%	0.449	S	S	.	.	H	α-helix	trans	-51.9	-52.4	175.6	-177.6	-178.7	173.5	-164	-5.1	112.9	M1 A5 T6 V7	M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 3Å; R3-A5 PolarHBondContact O-N 3.09Å; R3-T6 PolarHBondContact O-N 3.16Å; R3-V7 WeakPolarHBondContact O-CG2 3.46Å; R3-V7 PolarHBondContact O-N 3.21Å
4	A	97.6	Very high	96.3	Very high	8 Å²	8	93.6 Å²	93.6	7%	0.066	48%	0.475	C	S	.	.	H	α-helix	trans	-60.6	-44.3	-179.7	0	0	0	0	0	112.1	M1 V2 T6 V7 G8 A25 A28 L29	M1-A4 PolarHBondContact O-N 3.31Å; V2-A4 PolarHBondContact O-N 3.35Å; A4-T6 PolarHBondContact O-N 2.91Å; A4-V7 PolarHBondContact O-N 2.98Å; A4-G8 PolarHBondContact O-N 3.11Å; A4-A25 HydrophobicContact CB-CB 4.45Å; A4-A25 WeakPolarHBondContact CB-O 3.42Å; A4-A25 WeakPolarHBondContact O-CB 3.22Å; A4-A28 HydrophobicContact CB-CB 4.26Å; A4-L29 HydrophobicContact CB-CD1 4.49Å; A4-L29 HydrophobicContact CB-CD2 3.77Å; A4-L29 HydrophobicContact CB-CG 3.85Å
5	A	97.6	Very high	96.4	Very high	67 Å²	67	92 Å²	92	55%	0.554	49%	0.491	S	S	*	.	H	α-helix	trans	-62.9	-41.3	176	0	0	0	0	0	112.1	M1 V2 R3 Y9	M1-A5 PolarHBondContact O-N 3.36Å; V2-A5 PolarHBondContact O-N 3.02Å; R3-A5 PolarHBondContact O-N 3.09Å; A5-Y9 WeakPolarHBondContact O-CB 3.39Å; A5-Y9 PolarHBondContact O-N 3.38Å
6	T	98.3	Very high	96.5	Very high	87 Å²	87	88 Å²	88	53%	0.534	48%	0.478	S	S	.	.	H	α-helix	trans	-65.6	-41.1	177.1	-58.2	0	0	0	0	112	V2 R3 A4 Y9 G10	V2-T6 WeakPolarHBondContact O-CB 3.35Å; V2-T6 PolarHBondContact O-N 3.3Å; V2-T6 PolarHBondContact O-OG1 3.32Å; R3-T6 PolarHBondContact O-N 3.16Å; A4-T6 PolarHBondContact O-N 2.91Å; T6-Y9 PolarHBondContact O-N 2.99Å; T6-G10 PolarHBondContact O-N 3.24Å
7	V	98.6	Very high	96.6	Very high	55 Å²	55	85.7 Å²	85.7	33%	0.333	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-53	176.5	169.9	0	0	0	0	110.5	R3 A4 Y9 G10 I11 G24 A28	R3-V7 WeakPolarHBondContact O-CG2 3.46Å; R3-V7 PolarHBondContact O-N 3.21Å; A4-V7 PolarHBondContact O-N 2.98Å; V7-Y9 VanDerWaalsContact C-N 3.35Å; V7-Y9 PolarHBondContact O-N 2.93Å; V7-G10 PolarHBondContact O-N 3.4Å; V7-I11 HydrophobicContact CG1-CD1 4.19Å; V7-I11 WeakPolarHBondContact O-CG1 2.9Å; V7-I11 PolarHBondContact O-N 3.21Å; V7-I11 VanDerWaalsContact O-N 3.14Å; V7-G24 WeakPolarHBondContact CG1-O 3.43Å; V7-A28 HydrophobicContact CG2-CB 4.29Å
8	G	98.5	Very high	96.7	Very high	7 Å²	7	84.8 Å²	84.8	7%	0.072	48%	0.476	C	S	.	.	H	α-helix	trans	-60.8	-42.9	178.7	0	0	0	0	0	112.6	A4 G10 I11 L12 A21	A4-G8 PolarHBondContact O-N 3.11Å; G8-G10 VanDerWaalsContact C-N 3.35Å; G8-G10 PolarHBondContact O-N 3.46Å; G8-I11 PolarHBondContact O-N 3.48Å; G8-L12 WeakPolarHBondContact O-CG 3.44Å; G8-L12 PolarHBondContact O-N 2.96Å; G8-L12 VanDerWaalsContact O-N 3.13Å; G8-A21 WeakPolarHBondContact CA-O 3.48Å
9	Y	98.5	Very high	96.8	Very high	145 Å²	145	80.7 Å²	80.7	57%	0.569	45%	0.453	S	S	*	.	H	α-helix	trans	-62.7	-39.7	176.3	-179.8	-106.5	0	0	0	112.7	A5 T6 V7 L12 R13	A5-Y9 WeakPolarHBondContact O-CB 3.39Å; A5-Y9 PolarHBondContact O-N 3.38Å; T6-Y9 PolarHBondContact O-N 2.99Å; V7-Y9 VanDerWaalsContact C-N 3.35Å; V7-Y9 PolarHBondContact O-N 2.93Å; Y9-L12 PolarHBondContact O-N 2.99Å; Y9-R13 HydrophobicContact CD1-CG 4.03Å; Y9-R13 HydrophobicContact CD2-CG 4.45Å; Y9-R13 VanDerWaalsContact CE1-CD 3.5Å; Y9-R13 HydrophobicContact CE1-CG 3.57Å; Y9-R13 HydrophobicContact CE2-CG 4.03Å; Y9-R13 HydrophobicContact CG-CG 4.45Å; Y9-R13 WeakPolarHBondContact O-CB 3.39Å; Y9-R13 WeakPolarHBondContact O-CG 3.34Å; Y9-R13 PolarHBondContact O-N 3.26Å; Y9-R13 WeakPolarHBondContact OH-CD 3.35Å
10	G	98.7	Very high	96.9	Very high	25 Å²	25	79.3 Å²	79.3	26%	0.258	44%	0.444	S	S	.	.	H	α-helix	trans	-58.6	-48.6	175.9	0	0	0	0	0	111.9	T6 V7 G8 L12 R13 E14	T6-G10 PolarHBondContact O-N 3.24Å; V7-G10 PolarHBondContact O-N 3.4Å; G8-G10 VanDerWaalsContact C-N 3.35Å; G8-G10 PolarHBondContact O-N 3.46Å; G10-L12 VanDerWaalsContact C-N 3.34Å; G10-L12 PolarHBondContact O-N 2.8Å; G10-R13 WeakPolarHBondContact O-CB 3.38Å; G10-R13 PolarHBondContact O-N 3.44Å; G10-R13 VanDerWaalsContact O-N 3.12Å; G10-E14 WeakPolarHBondContact O-CG 3.36Å; G10-E14 PolarHBondContact O-N 2.86Å
11	I	98.7	Very high	97	Very high	44 Å²	44	75.8 Å²	75.8	23%	0.226	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-45.7	177.5	-66.2	167.3	0	0	0	111.1	V7 G8 R13 E14 G15 G16 D20 A21	V7-I11 HydrophobicContact CG1-CD1 4.19Å; V7-I11 WeakPolarHBondContact O-CG1 2.9Å; V7-I11 PolarHBondContact O-N 3.21Å; V7-I11 VanDerWaalsContact O-N 3.14Å; G8-I11 PolarHBondContact O-N 3.48Å; I11-R13 PolarHBondContact O-N 2.86Å; I11-E14 PolarHBondContact O-N 2.94Å; I11-G15 PolarHBondContact O-N 3.09Å; I11-G16 WeakPolarHBondContact O-CA 3.45Å; I11-G16 PolarHBondContact O-N 3.01Å; I11-D20 WeakPolarHBondContact CD1-O 3.26Å; I11-D20 HydrophobicContact CG2-CB 3.67Å; I11-A21 HydrophobicContact CB-CB 4.37Å; I11-A21 HydrophobicContact CG2-CB 4.24Å
12	L	98.6	Very high	98.1	Very high	94 Å²	94	71.7 Å²	71.7	49%	0.492	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-40.5	176.4	-67.8	175.3	0	0	0	112.3	G8 Y9 G10 E14 G15 A21	G8-L12 WeakPolarHBondContact O-CG 3.44Å; G8-L12 PolarHBondContact O-N 2.96Å; G8-L12 VanDerWaalsContact O-N 3.13Å; Y9-L12 PolarHBondContact O-N 2.99Å; G10-L12 VanDerWaalsContact C-N 3.34Å; G10-L12 PolarHBondContact O-N 2.8Å; L12-E14 PolarHBondContact O-N 3.03Å; L12-G15 PolarHBondContact O-N 3.46Å; L12-G15 VanDerWaalsContact O-N 3.13Å; L12-A21 HydrophobicContact CD1-CB 4.25Å; L12-A21 HydrophobicContact CD2-CB 3.74Å; L12-A21 HydrophobicContact CG-CB 3.65Å
13	R	98.5	Very high	98.3	Very high	186 Å²	186	67.8 Å²	67.8	70%	0.702	38%	0.384	S	S	*	.	H	α-helix	trans	-63.5	-31.1	177.8	-80.4	-133.5	72.1	177	1.1	113	Y9 G10 I11 G15	Y9-R13 HydrophobicContact CD1-CG 4.03Å; Y9-R13 HydrophobicContact CD2-CG 4.45Å; Y9-R13 VanDerWaalsContact CE1-CD 3.5Å; Y9-R13 HydrophobicContact CE1-CG 3.57Å; Y9-R13 HydrophobicContact CE2-CG 4.03Å; Y9-R13 HydrophobicContact CG-CG 4.45Å; Y9-R13 WeakPolarHBondContact O-CB 3.39Å; Y9-R13 WeakPolarHBondContact O-CG 3.34Å; Y9-R13 PolarHBondContact O-N 3.26Å; Y9-R13 WeakPolarHBondContact OH-CD 3.35Å; G10-R13 WeakPolarHBondContact O-CB 3.38Å; G10-R13 PolarHBondContact O-N 3.44Å; G10-R13 VanDerWaalsContact O-N 3.12Å; I11-R13 PolarHBondContact O-N 2.86Å; R13-G15 VanDerWaalsContact C-N 3.26Å
14	E	98.4	Very high	98.4	Very high	173 Å²	173	61.7 Å²	61.7	81%	0.808	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.8	178	-69	174.3	-175.6	0	0	112.9	G10 I11 L12	G10-E14 WeakPolarHBondContact O-CG 3.36Å; G10-E14 PolarHBondContact O-N 2.86Å; I11-E14 PolarHBondContact O-N 2.94Å; L12-E14 PolarHBondContact O-N 3.03Å
15	G	98.2	Very high	98.5	Very high	69 Å²	69	62.3 Å²	62.3	71%	0.711	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	12.8	178.5	0	0	0	0	0	114.4	I11 L12 R13	I11-G15 PolarHBondContact O-N 3.09Å; L12-G15 PolarHBondContact O-N 3.46Å; L12-G15 VanDerWaalsContact O-N 3.13Å; R13-G15 VanDerWaalsContact C-N 3.26Å
16	G	98.1	Very high	98.5	Very high	28 Å²	28	61.5 Å²	61.5	29%	0.289	36%	0.358	S	S	.	.			trans	-65.1	161.2	170.9	0	0	0	0	0	112.6	I11	I11-G16 WeakPolarHBondContact O-CA 3.45Å; I11-G16 PolarHBondContact O-N 3.01Å
17	S	98.3	Very high	98.5	Very high	49 Å²	49	58.2 Å²	58.2	34%	0.343	34%	0.338	S	S	.	.			trans	-75	165.9	179.6	72.7	0	0	0	0	112.3	V19 D20 A21	S17-V19 PolarHBondContact O-N 3.34Å; S17-V19 PolarHBondContact OG-N 3.16Å; S17-D20 VanDerWaalsContact CB-OD2 3.32Å; S17-D20 WeakPolarHBondContact CB-OD2 3.34Å; S17-D20 PolarHBondContact N-OD2 2.95Å; S17-D20 PolarHBondContact O-N 2.95Å; S17-D20 PolarHBondContact OG-N 3.39Å; S17-D20 VanDerWaalsContact OG-N 3.12Å; S17-D20 PolarHBondContact OG-OD2 3.23Å; S17-A21 PolarHBondContact O-N 3.49Å
18	A	98.4	Very high	98.5	Very high	70 Å²	70	55.8 Å²	55.8	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-59.6	-36.1	172.1	0	0	0	0	0	112	A21 V22	A18-A21 PolarHBondContact O-N 3.01Å; A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.04Å
19	V	98.6	Very high	98.5	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-44.1	177.2	-179.2	0	0	0	0	110.9	S17 A21 V22 E23 I55 D57 M83	S17-V19 PolarHBondContact O-N 3.34Å; S17-V19 PolarHBondContact OG-N 3.16Å; V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3Å; V19-V22 VanDerWaalsContact O-CG2 3.29Å; V19-V22 WeakPolarHBondContact O-CG2 3.49Å; V19-V22 PolarHBondContact O-N 2.97Å; V19-E23 WeakPolarHBondContact O-CB 3.48Å; V19-E23 PolarHBondContact O-N 3.28Å; V19-I55 HydrophobicContact CG1-CD1 3.74Å; V19-I55 HydrophobicContact CG1-CG1 4.27Å; V19-D57 HydrophobicContact CG2-CB 3.66Å; V19-M83 HydrophobicContact CG1-CE 4.15Å
20	D	98.6	Very high	98.5	Very high	51 Å²	51	51.3 Å²	51.3	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-42.2	175.6	-56.6	-44.3	0	0	0	111.3	I11 S17 G24 R80	I11-D20 WeakPolarHBondContact CD1-O 3.26Å; I11-D20 HydrophobicContact CG2-CB 3.67Å; S17-D20 VanDerWaalsContact CB-OD2 3.32Å; S17-D20 WeakPolarHBondContact CB-OD2 3.34Å; S17-D20 PolarHBondContact N-OD2 2.95Å; S17-D20 PolarHBondContact O-N 2.95Å; S17-D20 PolarHBondContact OG-N 3.39Å; S17-D20 VanDerWaalsContact OG-N 3.12Å; S17-D20 PolarHBondContact OG-OD2 3.23Å; D20-G24 PolarHBondContact O-N 3.05Å; D20-R80 IonicContact OD1-CZ 3.86Å; D20-R80 IonicContact OD1-NH1 2.72Å; D20-R80 PolarHBondContact OD1-NH1 3.49Å; D20-R80 IonicContact OD1-NH2 2.78Å; D20-R80 PolarHBondContact OD1-NH2 3.01Å
21	A	98.7	Very high	98.5	Very high	7 Å²	7	53.5 Å²	53.5	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-43.1	-178.8	0	0	0	0	0	112.6	G8 I11 L12 S17 A18 V19 A25	G8-A21 WeakPolarHBondContact CA-O 3.48Å; I11-A21 HydrophobicContact CB-CB 4.37Å; I11-A21 HydrophobicContact CG2-CB 4.24Å; L12-A21 HydrophobicContact CD1-CB 4.25Å; L12-A21 HydrophobicContact CD2-CB 3.74Å; L12-A21 HydrophobicContact CG-CB 3.65Å; S17-A21 PolarHBondContact O-N 3.49Å; A18-A21 PolarHBondContact O-N 3.01Å; V19-A21 VanDerWaalsContact C-N 3.3Å; V19-A21 PolarHBondContact O-N 3Å; A21-A25 WeakPolarHBondContact O-CB 3.3Å; A21-A25 PolarHBondContact O-N 3.14Å
22	V	98.6	Very high	98.4	Very high	75 Å²	75	53.5 Å²	53.5	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-72.5	-38.2	178.2	-61.1	0	0	0	0	111.7	A18 V19 A25 V26 I55	A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.04Å; V19-V22 VanDerWaalsContact O-CG2 3.29Å; V19-V22 WeakPolarHBondContact O-CG2 3.49Å; V19-V22 PolarHBondContact O-N 2.97Å; V22-A25 PolarHBondContact O-N 3.15Å; V22-V26 WeakPolarHBondContact O-CB 3.26Å; V22-V26 WeakPolarHBondContact O-CG2 3.17Å; V22-V26 PolarHBondContact O-N 2.97Å; V22-I55 HydrophobicContact CG2-CD1 4.16Å; V22-I55 HydrophobicContact CG2-CG1 4.36Å
23	E	98.8	Very high	98.3	Very high	34 Å²	34	51.9 Å²	51.9	16%	0.159	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-50.8	173	-176.7	-173.2	-155.7	0	0	110.2	V19 A25 V26 V27 I55 I76 K77 R80	V19-E23 WeakPolarHBondContact O-CB 3.48Å; V19-E23 PolarHBondContact O-N 3.28Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.87Å; E23-V26 PolarHBondContact O-N 2.75Å; E23-V27 HydrophobicContact CG-CG2 4.34Å; E23-V27 WeakPolarHBondContact O-CB 3.04Å; E23-V27 VanDerWaalsContact O-CG2 3.24Å; E23-V27 WeakPolarHBondContact O-CG2 3.28Å; E23-V27 PolarHBondContact O-N 3.15Å; E23-I55 HydrophobicContact CB-CD1 4.1Å; E23-I76 HydrophobicContact CG-CG2 4.32Å; E23-K77 WeakPolarHBondContact OE1-CG 3.49Å; E23-R80 WeakPolarHBondContact OE1-CD 3.06Å; E23-R80 WeakPolarHBondContact OE2-CD 3.44Å; E23-R80 IonicContact OE2-CZ 3.41Å; E23-R80 IonicContact OE2-NE 3.47Å; E23-R80 IonicContact OE2-NH1 3.29Å; E23-R80 PolarHBondContact OE2-NH1 3.45Å
24	G	98.7	Very high	98.2	Very high	15 Å²	15	49 Å²	49	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-60.9	-40.5	179.1	0	0	0	0	0	113.3	V7 D20 A28	V7-G24 WeakPolarHBondContact CG1-O 3.43Å; D20-G24 PolarHBondContact O-N 3.05Å; G24-A28 PolarHBondContact O-N 2.92Å; G24-A28 VanDerWaalsContact O-N 3.15Å
25	A	98.6	Very high	98.1	Very high	21 Å²	21	43.6 Å²	43.6	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-41.9	176.1	0	0	0	0	0	112.2	A4 A21 V22 E23 A28 L29	A4-A25 HydrophobicContact CB-CB 4.45Å; A4-A25 WeakPolarHBondContact CB-O 3.42Å; A4-A25 WeakPolarHBondContact O-CB 3.22Å; A21-A25 WeakPolarHBondContact O-CB 3.3Å; A21-A25 PolarHBondContact O-N 3.14Å; V22-A25 PolarHBondContact O-N 3.15Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.87Å; A25-A28 PolarHBondContact O-N 3.23Å; A25-L29 WeakPolarHBondContact O-CG 3.24Å; A25-L29 PolarHBondContact O-N 2.97Å
26	V	98.6	Very high	98	Very high	49 Å²	49	45.3 Å²	45.3	30%	0.297	27%	0.271	S	S	.	.	H	α-helix	trans	-70.9	-40.1	179.5	176.3	0	0	0	0	111.2	V22 E23 A28 L29 E30 I76	V22-V26 WeakPolarHBondContact O-CB 3.26Å; V22-V26 WeakPolarHBondContact O-CG2 3.17Å; V22-V26 PolarHBondContact O-N 2.97Å; E23-V26 PolarHBondContact O-N 2.75Å; V26-A28 PolarHBondContact O-N 2.81Å; V26-L29 CarbonylContact O-C 3.52Å; V26-L29 WeakPolarHBondContact O-CA 3.47Å; V26-L29 WeakPolarHBondContact O-CB 3.37Å; V26-L29 PolarHBondContact O-N 3.14Å; V26-E30 HydrophobicContact CG1-CG 4.22Å; V26-E30 WeakPolarHBondContact O-CG 3.29Å; V26-E30 PolarHBondContact O-N 2.95Å; V26-I76 HydrophobicContact CB-CB 4.27Å; V26-I76 HydrophobicContact CB-CG1 3.99Å; V26-I76 HydrophobicContact CB-CG2 4.13Å; V26-I76 HydrophobicContact CG1-CB 3.65Å; V26-I76 HydrophobicContact CG1-CD1 4.25Å; V26-I76 HydrophobicContact CG1-CG1 3.77Å; V26-I76 HydrophobicContact CG1-CG2 3.81Å; V26-I76 HydrophobicContact CG2-CG1 4.49Å
27	V	98.7	Very high	98	Very high	18 Å²	18	45.5 Å²	45.5	11%	0.109	27%	0.27	C	S	.	.	H	α-helix	trans	-55.2	-43.2	171.9	168.4	0	0	0	0	110.6	E23 L29 E30 D31 N74 I76 K77	E23-V27 HydrophobicContact CG-CG2 4.34Å; E23-V27 WeakPolarHBondContact O-CB 3.04Å; E23-V27 VanDerWaalsContact O-CG2 3.24Å; E23-V27 WeakPolarHBondContact O-CG2 3.28Å; E23-V27 PolarHBondContact O-N 3.15Å; V27-L29 PolarHBondContact O-N 3.05Å; V27-E30 PolarHBondContact O-N 2.93Å; V27-D31 WeakPolarHBondContact O-CB 3.49Å; V27-D31 PolarHBondContact O-N 2.79Å; V27-N74 HydrophobicContact CG2-CB 4.42Å; V27-I76 HydrophobicContact CG2-CG2 3.67Å; V27-K77 HydrophobicContact CG2-CD 4.3Å; V27-K77 VanDerWaalsContact CG2-CE 3.45Å; V27-K77 HydrophobicContact CG2-CG 3.94Å
28	A	98.4	Very high	97.9	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-66	-21.6	176.7	0	0	0	0	0	114	A4 V7 G24 A25 V26	A4-A28 HydrophobicContact CB-CB 4.26Å; V7-A28 HydrophobicContact CG2-CB 4.29Å; G24-A28 PolarHBondContact O-N 2.92Å; G24-A28 VanDerWaalsContact O-N 3.15Å; A25-A28 PolarHBondContact O-N 3.23Å; V26-A28 PolarHBondContact O-N 2.81Å
29	L	98.3	Very high	97.7	Very high	51 Å²	51	41.7 Å²	41.7	27%	0.267	24%	0.238	S	C	.	.	H	α-helix	trans	-84.3	-40.8	172.6	-64.2	172.5	0	0	0	111.6	A4 A25 V26 V27 D31 D32 F35	A4-L29 HydrophobicContact CB-CD1 4.49Å; A4-L29 HydrophobicContact CB-CD2 3.77Å; A4-L29 HydrophobicContact CB-CG 3.85Å; A25-L29 WeakPolarHBondContact O-CG 3.24Å; A25-L29 PolarHBondContact O-N 2.97Å; V26-L29 CarbonylContact O-C 3.52Å; V26-L29 WeakPolarHBondContact O-CA 3.47Å; V26-L29 WeakPolarHBondContact O-CB 3.37Å; V26-L29 PolarHBondContact O-N 3.14Å; V27-L29 PolarHBondContact O-N 3.05Å; L29-D31 VanDerWaalsContact C-N 3.28Å; L29-D31 PolarHBondContact O-N 3.31Å; L29-D32 PolarHBondContact O-N 3.06Å; L29-F35 HydrophobicContact CD2-CD2 4.06Å; L29-F35 HydrophobicContact CD2-CE1 4.39Å; L29-F35 HydrophobicContact CD2-CE2 3.92Å; L29-F35 HydrophobicContact CD2-CG 4.35Å; L29-F35 HydrophobicContact CD2-CZ 4.11Å
30	E	98.5	Very high	97.4	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-31	175.6	-71.7	173.7	156.9	0	0	112.7	V26 V27 D32 A37 G38 C39 N74 P75 I76	V26-E30 HydrophobicContact CG1-CG 4.22Å; V26-E30 WeakPolarHBondContact O-CG 3.29Å; V26-E30 PolarHBondContact O-N 2.95Å; V27-E30 PolarHBondContact O-N 2.93Å; E30-D32 VanDerWaalsContact C-N 3.28Å; E30-A37 HydrophobicContact CG-CB 4.05Å; E30-G38 CarbonylContact O-C 3.12Å; E30-G38 WeakPolarHBondContact O-CA 3.43Å; E30-C39 PolarHBondContact O-N 3.28Å; E30-N74 WeakPolarHBondContact OE2-CA 3.44Å; E30-N74 WeakPolarHBondContact OE2-CB 3.43Å; E30-N74 PolarHBondContact OE2-ND2 3.41Å; E30-N74 VanDerWaalsContact OE2-ND2 3.08Å; E30-P75 VanDerWaalsContact OE1-CD 3.3Å; E30-P75 WeakPolarHBondContact OE1-CD 3.37Å; E30-I76 WeakPolarHBondContact OE1-CB 3.49Å; E30-I76 PolarHBondContact OE1-N 3.35Å; E30-I76 VanDerWaalsContact OE2-CG2 3.3Å; E30-I76 WeakPolarHBondContact OE2-CG2 3.48Å
31	D	97.8	Very high	97.4	Very high	71 Å²	71	39.1 Å²	39.1	38%	0.38	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-9.2	176.3	-69.6	-10.6	0	0	0	112.9	V27 L29 N74	V27-D31 WeakPolarHBondContact O-CB 3.49Å; V27-D31 PolarHBondContact O-N 2.79Å; L29-D31 VanDerWaalsContact C-N 3.28Å; L29-D31 PolarHBondContact O-N 3.31Å; D31-N74 PolarHBondContact OD1-ND2 2.72Å
32	D	96.9	Very high	97.3	Very high	44 Å²	44	40.8 Å²	40.8	24%	0.235	23%	0.234	C	C	.	.			trans	-101.4	108.7	-176.3	-176.2	-18.7	0	0	0	110.5	L29 E30 E34 F35	L29-D32 PolarHBondContact O-N 3.06Å; E30-D32 VanDerWaalsContact C-N 3.28Å; D32-E34 PolarHBondContact O-N 3.09Å; D32-E34 WeakPolarHBondContact OD1-CB 3.46Å; D32-E34 PolarHBondContact OD1-N 3.48Å; D32-E34 VanDerWaalsContact OD1-N 3.14Å; D32-F35 HydrophobicContact CB-CD2 3.79Å; D32-F35 HydrophobicContact CB-CE2 4.2Å; D32-F35 PolarHBondContact O-N 3.07Å; D32-F35 WeakPolarHBondContact OD2-CE2 3.42Å
33	P	96.6	Very high	97.3	Very high	61 Å²	61	38 Å²	38	40%	0.396	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.5	-172.6	27.8	-36.3	0	0	0	114.6	F35 C39 G40 T115 R117	P33-F35 VanDerWaalsContact C-N 3.33Å; P33-C39 VanDerWaalsContact CA-O 3.27Å; P33-C39 WeakPolarHBondContact CA-O 3.47Å; P33-G40 WeakPolarHBondContact O-CA 3.42Å; P33-T115 HydrophobicContact CB-CG2 3.83Å; P33-R117 PolarHBondContact O-NH2 3.28Å
34	E	95.8	Very high	97.1	Very high	124 Å²	124	37.9 Å²	37.9	58%	0.579	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-23.6	176.6	-165.1	55.1	-144.6	0	0	112.2	D32 R117	D32-E34 PolarHBondContact O-N 3.09Å; D32-E34 WeakPolarHBondContact OD1-CB 3.46Å; D32-E34 PolarHBondContact OD1-N 3.48Å; D32-E34 VanDerWaalsContact OD1-N 3.14Å; E34-R117 PolarHBondContact O-NH1 3.25Å; E34-R117 PolarHBondContact O-NH2 3.45Å; E34-R117 IonicContact OE1-CZ 2.75Å; E34-R117 IonicContact OE1-NH1 3.96Å; E34-R117 PolarHBondContact OE1-NH1 2.9Å; E34-R117 IonicContact OE2-CZ 2.95Å; E34-R117 IonicContact OE2-NH1 3.7Å; E34-R117 PolarHBondContact OE2-NH1 3.12Å
35	F	96.5	Very high	96.9	Very high	60 Å²	60	42.4 Å²	42.4	26%	0.263	24%	0.242	S	C	.	.	S	Bend	trans	-93.5	156.1	-179.8	-64	-79.2	0	0	0	112.8	M1 L29 D32 P33 A37 G40	M1-F35 HydrophobicContact CG-CE1 4.18Å; M1-F35 HydrophobicContact CG-CZ 3.82Å; L29-F35 HydrophobicContact CD2-CD2 4.06Å; L29-F35 HydrophobicContact CD2-CE1 4.39Å; L29-F35 HydrophobicContact CD2-CE2 3.92Å; L29-F35 HydrophobicContact CD2-CG 4.35Å; L29-F35 HydrophobicContact CD2-CZ 4.11Å; D32-F35 HydrophobicContact CB-CD2 3.79Å; D32-F35 HydrophobicContact CB-CE2 4.2Å; D32-F35 PolarHBondContact O-N 3.07Å; D32-F35 WeakPolarHBondContact OD2-CE2 3.42Å; P33-F35 VanDerWaalsContact C-N 3.33Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 3.2Å; F35-G40 CarbonylContact O-C 3.56Å; F35-G40 WeakPolarHBondContact O-CA 3.17Å
36	N	97.1	Very high	96.7	Very high	106 Å²	106	46.9 Å²	46.9	57%	0.567	26%	0.263	S	S	*	.	S	Bend	trans	-87.3	67.8	173.2	178.3	28.9	0	0	0	110.6	S41 V42	N36-S41 WeakPolarHBondContact OD1-CA 3.29Å; N36-V42 HydrophobicContact CB-CG1 4.34Å; N36-V42 VanDerWaalsContact OD1-CG1 3.29Å; N36-V42 WeakPolarHBondContact OD1-CG1 3.4Å; N36-V42 WeakPolarHBondContact OD1-CG2 3.4Å; N36-V42 PolarHBondContact OD1-N 3.35Å
37	A	96.8	Very high	96.6	Very high	32 Å²	32	45.8 Å²	45.8	26%	0.264	26%	0.261	S	S	.	.	S	Bend	trans	-162.3	151.8	173.1	0	0	0	0	0	108.1	E30 F35 C39 S41	E30-A37 HydrophobicContact CG-CB 4.05Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 3.2Å; A37-C39 CarbonylContact O-C 3.58Å; A37-C39 PolarHBondContact O-N 2.95Å; A37-C39 VanDerWaalsContact O-O 3.09Å; A37-S41 WeakPolarHBondContact CA-OG 3.31Å
38	G	96.6	Very high	96.5	Very high	1 Å²	1	49 Å²	49	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	51.3	-129.4	179.5	0	0	0	0	0	112.4	E30 G40 S41 M51	E30-G38 CarbonylContact O-C 3.12Å; E30-G38 WeakPolarHBondContact O-CA 3.43Å; G38-G40 PolarHBondContact O-N 2.97Å; G38-S41 PolarHBondContact N-OG 3.13Å; G38-S41 VanDerWaalsContact N-OG 3.14Å; G38-S41 WeakPolarHBondContact O-CB 3.36Å; G38-S41 PolarHBondContact O-N 3.5Å; G38-S41 PolarHBondContact O-OG 2.86Å; G38-M51 WeakPolarHBondContact CA-SD 3.36Å; G38-M51 PolarHBondContact N-SD 3Å; G38-M51 VanDerWaalsContact N-SD 3.44Å
39	C	94.3	Very high	96.4	Very high	37 Å²	37	49.1 Å²	49.1	25%	0.25	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	120.8	167.8	-175.6	0	0	0	0	109.1	E30 P33 A37 L113	E30-C39 PolarHBondContact O-N 3.28Å; P33-C39 VanDerWaalsContact CA-O 3.27Å; P33-C39 WeakPolarHBondContact CA-O 3.47Å; A37-C39 CarbonylContact O-C 3.58Å; A37-C39 PolarHBondContact O-N 2.95Å; A37-C39 VanDerWaalsContact O-O 3.09Å; C39-L113 HydrophobicContact CB-CD2 4.37Å
40	G	93.1	Very high	96.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.5	-3	-170.6	0	0	0	0	0	114.1	P33 F35 G38 L113 N118	P33-G40 WeakPolarHBondContact O-CA 3.42Å; F35-G40 CarbonylContact O-C 3.56Å; F35-G40 WeakPolarHBondContact O-CA 3.17Å; G38-G40 PolarHBondContact O-N 2.97Å; G40-L113 PolarHBondContact N-O 3.29Å; G40-N118 VanDerWaalsContact C-ND2 3.28Å; G40-N118 PolarHBondContact O-ND2 3.06Å
41	S	97.4	Very high	96.4	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.028	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-57.7	147.1	171.7	-65.4	0	0	0	0	112.8	N36 A37 G38 M51 N118	N36-S41 WeakPolarHBondContact OD1-CA 3.29Å; A37-S41 WeakPolarHBondContact CA-OG 3.31Å; G38-S41 PolarHBondContact N-OG 3.13Å; G38-S41 VanDerWaalsContact N-OG 3.14Å; G38-S41 WeakPolarHBondContact O-CB 3.36Å; G38-S41 PolarHBondContact O-N 3.5Å; G38-S41 PolarHBondContact O-OG 2.86Å; S41-M51 WeakPolarHBondContact OG-CG 3.31Å; S41-M51 PolarHBondContact OG-SD 3.18Å; S41-M51 VanDerWaalsContact OG-SD 3.33Å; S41-N118 PolarHBondContact O-ND2 3.43Å
42	V	97.1	Very high	96.5	Very high	42 Å²	42	53.1 Å²	53.1	26%	0.255	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-67.8	154.5	173.7	-63.3	0	0	0	0	111.6	N36	N36-V42 HydrophobicContact CB-CG1 4.34Å; N36-V42 VanDerWaalsContact OD1-CG1 3.29Å; N36-V42 WeakPolarHBondContact OD1-CG1 3.4Å; N36-V42 WeakPolarHBondContact OD1-CG2 3.4Å; N36-V42 PolarHBondContact OD1-N 3.35Å
43	L	97.8	Very high	96.6	Very high	18 Å²	18	51.8 Å²	51.8	9%	0.094	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-93.3	139.5	-179.9	-52.4	-176.9	0	0	0	110.2	E48 V49 V114 N118 K119 L122	L43-E48 CarbonylContact C-O 3.58Å; L43-E48 WeakPolarHBondContact CA-O 3.33Å; L43-V49 HydrophobicContact CD2-CG2 3.63Å; L43-V114 HydrophobicContact CD1-CG1 4.13Å; L43-V114 HydrophobicContact CD2-CB 4.42Å; L43-V114 HydrophobicContact CD2-CG1 3.99Å; L43-V114 HydrophobicContact CD2-CG2 3.84Å; L43-N118 HydrophobicContact CG-CB 4.21Å; L43-K119 HydrophobicContact CD1-CG 4.19Å; L43-L122 HydrophobicContact CB-CD2 3.91Å; L43-L122 HydrophobicContact CD1-CB 4.38Å; L43-L122 HydrophobicContact CD1-CD2 4.08Å
44	N	96.2	Very high	96.7	Very high	31 Å²	31	53 Å²	53	17%	0.166	30%	0.3	C	S	.	.			trans	-68.6	-179.3	166.9	75.2	10.9	0	0	0	110.4	N46 G47 E48 E50	N44-N46 PolarHBondContact O-N 3.25Å; N44-N46 VanDerWaalsContact O-N 3.16Å; N44-N46 WeakPolarHBondContact OD1-CA 3.49Å; N44-N46 WeakPolarHBondContact OD1-CB 3.13Å; N44-N46 PolarHBondContact OD1-N 2.86Å; N44-G47 PolarHBondContact O-N 2.86Å; N44-G47 PolarHBondContact OD1-N 3.45Å; N44-G47 VanDerWaalsContact OD1-N 3.09Å; N44-E48 PolarHBondContact N-O 3.12Å; N44-E48 PolarHBondContact ND2-OE2 3.11Å; N44-E48 PolarHBondContact OD1-N 3.43Å; N44-E48 PolarHBondContact OD1-O 3.5Å; N44-E50 VanDerWaalsContact ND2-CD 3.32Å; N44-E50 PolarHBondContact ND2-OE2 3.43Å
45	T	94.4	Very high	96.8	Very high	109 Å²	109	47.7 Å²	47.7	67%	0.669	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.7	-178.7	48	0	0	0	0	114.1	G47 K126	T45-G47 VanDerWaalsContact C-N 3.32Å; T45-K126 PolarHBondContact O-NZ 3.02Å
46	N	94	Very high	96.9	Very high	116 Å²	116	50 Å²	50	62%	0.62	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.6	178.1	-58.1	-22.2	0	0	0	112.4	N44 E48	N44-N46 PolarHBondContact O-N 3.25Å; N44-N46 VanDerWaalsContact O-N 3.16Å; N44-N46 WeakPolarHBondContact OD1-CA 3.49Å; N44-N46 WeakPolarHBondContact OD1-CB 3.13Å; N44-N46 PolarHBondContact OD1-N 2.86Å; N46-E48 HydrophobicContact CB-CG 4.14Å; N46-E48 WeakPolarHBondContact CB-OE2 3.5Å; N46-E48 PolarHBondContact ND2-OE2 2.81Å
47	G	95.4	Very high	97	Very high	26 Å²	26	46.9 Å²	46.9	27%	0.268	27%	0.271	S	S	.	.	S	Bend	trans	89.6	13.9	-175.4	0	0	0	0	0	113.9	N44 T45	N44-G47 PolarHBondContact O-N 2.86Å; N44-G47 PolarHBondContact OD1-N 3.45Å; N44-G47 VanDerWaalsContact OD1-N 3.09Å; T45-G47 VanDerWaalsContact C-N 3.32Å
48	E	96.6	Very high	97	Very high	85 Å²	85	48.5 Å²	48.5	40%	0.397	29%	0.291	S	S	.	.			trans	-101	155.8	-176.8	-56.9	159.9	149.3	0	0	110.7	L43 N44 N46	L43-E48 CarbonylContact C-O 3.58Å; L43-E48 WeakPolarHBondContact CA-O 3.33Å; N44-E48 PolarHBondContact N-O 3.12Å; N44-E48 PolarHBondContact ND2-OE2 3.11Å; N44-E48 PolarHBondContact OD1-N 3.43Å; N44-E48 PolarHBondContact OD1-O 3.5Å; N46-E48 HydrophobicContact CB-CG 4.14Å; N46-E48 WeakPolarHBondContact CB-OE2 3.5Å; N46-E48 PolarHBondContact ND2-OE2 2.81Å
49	V	97.9	Very high	97.1	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.048	33%	0.33	C	S	.	.			trans	-94.1	119.4	172.7	169.5	0	0	0	0	108.9	L43 M51 L113 V114	L43-V49 HydrophobicContact CD2-CG2 3.63Å; V49-M51 HydrophobicContact CG1-CE 3.87Å; V49-M51 HydrophobicContact CG1-CG 3.64Å; V49-M51 HydrophobicContact CG1-SD 3.76Å; V49-L113 HydrophobicContact CB-CB 4.24Å; V49-L113 HydrophobicContact CB-CD1 4.48Å; V49-L113 HydrophobicContact CG1-CB 4.18Å; V49-L113 HydrophobicContact CG1-CD1 4.08Å; V49-L113 HydrophobicContact CG2-CB 4.06Å; V49-V114 HydrophobicContact CG2-CG2 3.96Å
50	E	98.1	Very high	97.2	Very high	83 Å²	83	60.7 Å²	60.7	39%	0.388	35%	0.345	S	S	.	.			trans	-123.3	127.5	171.7	-72.7	175	141.8	0	0	108.1	N44 Q70	N44-E50 VanDerWaalsContact ND2-CD 3.32Å; N44-E50 PolarHBondContact ND2-OE2 3.43Å; E50-Q70 HydrophobicContact CG-CG 3.74Å; E50-Q70 VanDerWaalsContact CG-NE2 3.28Å; E50-Q70 PolarHBondContact OE1-NE2 2.83Å
51	M	98.4	Very high	97.4	Very high	9 Å²	9	66.6 Å²	66.6	4%	0.044	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.7	-170.1	-65.1	174.9	-69.7	0	0	112.2	G38 S41 V49 S67 A68 V69 I72 P75 L113	G38-M51 WeakPolarHBondContact CA-SD 3.36Å; G38-M51 PolarHBondContact N-SD 3Å; G38-M51 VanDerWaalsContact N-SD 3.44Å; S41-M51 WeakPolarHBondContact OG-CG 3.31Å; S41-M51 PolarHBondContact OG-SD 3.18Å; S41-M51 VanDerWaalsContact OG-SD 3.33Å; V49-M51 HydrophobicContact CG1-CE 3.87Å; V49-M51 HydrophobicContact CG1-CG 3.64Å; V49-M51 HydrophobicContact CG1-SD 3.76Å; M51-S67 CarbonylContact O-C 3.57Å; M51-A68 PolarHBondContact O-N 2.87Å; M51-A68 VanDerWaalsContact O-N 3.14Å; M51-V69 HydrophobicContact CB-CG2 4.22Å; M51-V69 PolarHBondContact N-O 3.13Å; M51-V69 VanDerWaalsContact O-CG2 3.29Å; M51-V69 WeakPolarHBondContact O-CG2 3.39Å; M51-V69 PolarHBondContact O-N 3.19Å; M51-I72 WeakPolarHBondContact CE-O 3.47Å; M51-P75 HydrophobicContact CB-CB 4.39Å; M51-P75 HydrophobicContact CB-CG 3.66Å; M51-P75 HydrophobicContact CE-CG 3.66Å; M51-P75 HydrophobicContact CG-CG 4.27Å; M51-P75 HydrophobicContact SD-CG 3.65Å; M51-L113 HydrophobicContact CE-CD1 3.66Å
52	D	98.7	Very high	97.4	Very high	119 Å²	119	68 Å²	68	64%	0.636	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	143.8	174.7	-53.6	-28.7	0	0	0	109	V66 S67 A68	D52-V66 CarbonylContact C-O 3.58Å; D52-V66 VanDerWaalsContact CA-O 3.28Å; D52-V66 WeakPolarHBondContact CA-O 3.47Å; D52-S67 WeakPolarHBondContact OD1-CA 3.36Å; D52-S67 WeakPolarHBondContact OD1-CB 3.47Å; D52-A68 PolarHBondContact OD1-N 3.14Å
53	A	98.8	Very high	97.5	Very high	17 Å²	17	67.5 Å²	67.5	14%	0.14	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.8	172.9	0	0	0	0	0	111.3	A65 V66 P75 I76 A79	A53-A65 CarbonylContact O-C 3.46Å; A53-A65 VanDerWaalsContact O-CA 3.24Å; A53-A65 WeakPolarHBondContact O-CA 3.28Å; A53-V66 HydrophobicContact CB-CG2 4.28Å; A53-V66 PolarHBondContact N-O 3.18Å; A53-V66 PolarHBondContact O-N 3.39Å; A53-P75 HydrophobicContact CB-CB 3.64Å; A53-I76 HydrophobicContact CB-CD1 4.35Å; A53-A79 HydrophobicContact CB-CB 4.32Å
54	S	98.8	Very high	97.5	Very high	87 Å²	87	66.7 Å²	66.7	61%	0.608	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.8	174.3	63.5	0	0	0	0	111.6	G64 I76	S54-G64 CarbonylContact C-O 3.36Å; S54-G64 VanDerWaalsContact CA-O 3.28Å; S54-G64 WeakPolarHBondContact CA-O 3.46Å; S54-I76 WeakPolarHBondContact O-CD1 3.35Å
55	I	98.8	Very high	97.7	Very high	12 Å²	12	66 Å²	66	6%	0.062	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.3	176.7	-162.8	167.1	0	0	0	109.6	V19 V22 E23 A63 G64 I76 A79 R80 M83	V19-I55 HydrophobicContact CG1-CD1 3.74Å; V19-I55 HydrophobicContact CG1-CG1 4.27Å; V22-I55 HydrophobicContact CG2-CD1 4.16Å; V22-I55 HydrophobicContact CG2-CG1 4.36Å; E23-I55 HydrophobicContact CB-CD1 4.1Å; I55-A63 WeakPolarHBondContact O-CA 3.43Å; I55-G64 PolarHBondContact N-O 3.22Å; I55-G64 PolarHBondContact O-N 2.75Å; I55-I76 HydrophobicContact CB-CD1 4.01Å; I55-A79 HydrophobicContact CG2-CB 4.3Å; I55-R80 HydrophobicContact CG2-CB 4.09Å; I55-M83 HydrophobicContact CG2-SD 4.2Å
56	M	98.7	Very high	97.9	Very high	108 Å²	108	60.9 Å²	60.9	53%	0.532	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.3	-178.8	-176.2	178	-173.3	0	0	110.3	L61 S62 A63	M56-L61 HydrophobicContact CE-CB 3.94Å; M56-L61 HydrophobicContact CE-CD2 3.78Å; M56-L61 HydrophobicContact CE-CG 4.48Å; M56-S62 CarbonylContact C-O 3.54Å; M56-S62 WeakPolarHBondContact CA-O 3.3Å; M56-S62 WeakPolarHBondContact CG-O 3.49Å; M56-A63 HydrophobicContact CB-CB 4.27Å; M56-A63 HydrophobicContact CG-CB 4.14Å
57	D	98.5	Very high	98.1	Very high	41 Å²	41	56.1 Å²	56.1	22%	0.219	33%	0.325	C	S	.	.			trans	-92.5	119.8	167.1	-167.1	-16	0	0	0	109.9	V19 K59 L61 S62	V19-D57 HydrophobicContact CG2-CB 3.66Å; D57-K59 PolarHBondContact O-N 3.27Å; D57-K59 VanDerWaalsContact OD1-CB 3.26Å; D57-K59 WeakPolarHBondContact OD1-CB 3.49Å; D57-K59 PolarHBondContact OD1-N 2.92Å; D57-L61 WeakPolarHBondContact O-CA 3.44Å; D57-L61 PolarHBondContact O-N 3.12Å; D57-S62 PolarHBondContact N-O 3.33Å
58	G	97.9	Very high	98.2	Very high	66 Å²	66	56.2 Å²	56.2	68%	0.68	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-15	177.2	0	0	0	0	0	114.2
59	K	97.6	Very high	98.3	Very high	190 Å²	190	52.3 Å²	52.3	83%	0.826	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-41.8	-177.6	-177.6	-177.3	173.7	-171.5	0	112.6	D57	D57-K59 PolarHBondContact O-N 3.27Å; D57-K59 VanDerWaalsContact OD1-CB 3.26Å; D57-K59 WeakPolarHBondContact OD1-CB 3.49Å; D57-K59 PolarHBondContact OD1-N 2.92Å
60	D	96.8	Very high	98.3	Very high	104 Å²	104	55.5 Å²	55.5	56%	0.556	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	2.6	-176.8	64.8	8.5	0	0	0	113.6	S62	D60-S62 PolarHBondContact O-N 2.84Å; D60-S62 WeakPolarHBondContact OD1-CB 3.24Å; D60-S62 PolarHBondContact OD1-N 2.85Å; D60-S62 PolarHBondContact OD1-OG 3.44Å
61	L	97.4	Very high	98.3	Very high	123 Å²	123	52.9 Å²	52.9	64%	0.644	31%	0.309	S	S	*	.			trans	63.4	16.2	-178.6	-48.4	176.7	0	0	0	113.7	M56 D57	M56-L61 HydrophobicContact CE-CB 3.94Å; M56-L61 HydrophobicContact CE-CD2 3.78Å; M56-L61 HydrophobicContact CE-CG 4.48Å; D57-L61 WeakPolarHBondContact O-CA 3.44Å; D57-L61 PolarHBondContact O-N 3.12Å
62	S	98.1	Very high	98.2	Very high	35 Å²	35	52.9 Å²	52.9	25%	0.245	31%	0.309	C	S	.	.			trans	-63	142.4	169.7	61.9	0	0	0	0	110.3	M56 D57 D60	M56-S62 CarbonylContact C-O 3.54Å; M56-S62 WeakPolarHBondContact CA-O 3.3Å; M56-S62 WeakPolarHBondContact CG-O 3.49Å; D57-S62 PolarHBondContact N-O 3.33Å; D60-S62 PolarHBondContact O-N 2.84Å; D60-S62 WeakPolarHBondContact OD1-CB 3.24Å; D60-S62 PolarHBondContact OD1-N 2.85Å; D60-S62 PolarHBondContact OD1-OG 3.44Å
63	A	98.5	Very high	98.2	Very high	31 Å²	31	48.9 Å²	48.9	26%	0.256	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.1	-178.2	0	0	0	0	0	111	I55 M56	I55-A63 WeakPolarHBondContact O-CA 3.43Å; M56-A63 HydrophobicContact CB-CB 4.27Å; M56-A63 HydrophobicContact CG-CB 4.14Å
64	G	98.8	Very high	98.2	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.8	174.3	0	0	0	0	0	110.8	S54 I55 A79 C89	S54-G64 CarbonylContact C-O 3.36Å; S54-G64 VanDerWaalsContact CA-O 3.28Å; S54-G64 WeakPolarHBondContact CA-O 3.46Å; I55-G64 PolarHBondContact N-O 3.22Å; I55-G64 PolarHBondContact O-N 2.75Å; G64-A79 CarbonylContact C-O 3.55Å; G64-A79 WeakPolarHBondContact CA-O 3.33Å; G64-C89 CarbonylContact C-O 3.59Å; G64-C89 VanDerWaalsContact CA-O 3.31Å; G64-C89 WeakPolarHBondContact CA-O 3.4Å
65	A	98.9	Very high	98.1	Very high	15 Å²	15	45.1 Å²	45.1	12%	0.124	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.5	-177.7	0	0	0	0	0	111.2	A53 C89 F90 L91	A53-A65 CarbonylContact O-C 3.46Å; A53-A65 VanDerWaalsContact O-CA 3.24Å; A53-A65 WeakPolarHBondContact O-CA 3.28Å; A65-C89 PolarHBondContact N-O 2.85Å; A65-F90 HydrophobicContact CB-CB 4.28Å; A65-F90 HydrophobicContact CB-CD2 3.54Å; A65-F90 HydrophobicContact CB-CE2 3.99Å; A65-F90 HydrophobicContact CB-CG 3.95Å; A65-F90 WeakPolarHBondContact O-CA 3.44Å; A65-F90 WeakPolarHBondContact O-CD2 3.27Å; A65-L91 PolarHBondContact O-N 3.27Å
66	V	98.8	Very high	98.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.7	170.4	-65.4	0	0	0	0	111	D52 A53 V69 P75 L78 A79 V82 L91 A96	D52-V66 CarbonylContact C-O 3.58Å; D52-V66 VanDerWaalsContact CA-O 3.28Å; D52-V66 WeakPolarHBondContact CA-O 3.47Å; A53-V66 HydrophobicContact CB-CG2 4.28Å; A53-V66 PolarHBondContact N-O 3.18Å; A53-V66 PolarHBondContact O-N 3.39Å; V66-V69 HydrophobicContact CB-CG1 3.83Å; V66-V69 HydrophobicContact CG2-CG1 4.17Å; V66-V69 HydrophobicContact CG2-CG2 4.06Å; V66-P75 HydrophobicContact CG2-CB 4.35Å; V66-L78 HydrophobicContact CB-CD2 4.33Å; V66-L78 HydrophobicContact CG1-CB 4.37Å; V66-L78 HydrophobicContact CG1-CD2 3.69Å; V66-L78 HydrophobicContact CG1-CG 3.72Å; V66-L78 HydrophobicContact CG2-CD2 4.4Å; V66-A79 HydrophobicContact CG2-CB 4.42Å; V66-V82 HydrophobicContact CG1-CG2 3.83Å; V66-L91 VanDerWaalsContact CA-O 3.24Å; V66-L91 WeakPolarHBondContact CA-O 3.18Å; V66-A96 HydrophobicContact CB-CB 4.46Å; V66-A96 HydrophobicContact CG1-CB 4.23Å
67	S	98.7	Very high	98.2	Very high	17 Å²	17	44.1 Å²	44.1	12%	0.119	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.1	174.9	57.9	0	0	0	0	112.9	M51 D52 V69 F90 L91 T92 D93	M51-S67 CarbonylContact O-C 3.57Å; D52-S67 WeakPolarHBondContact OD1-CA 3.36Å; D52-S67 WeakPolarHBondContact OD1-CB 3.47Å; S67-V69 PolarHBondContact O-N 2.71Å; S67-V69 VanDerWaalsContact O-N 3.14Å; S67-F90 VanDerWaalsContact OG-CE2 3.26Å; S67-F90 WeakPolarHBondContact OG-CE2 3.37Å; S67-F90 WeakPolarHBondContact OG-CZ 3.45Å; S67-L91 PolarHBondContact N-O 2.65Å; S67-L91 VanDerWaalsContact N-O 3.15Å; S67-T92 WeakPolarHBondContact O-CA 3.39Å; S67-T92 PolarHBondContact O-OG1 3.26Å; S67-T92 VanDerWaalsContact OG-CB 3.22Å; S67-T92 WeakPolarHBondContact OG-CB 3.18Å; S67-T92 PolarHBondContact OG-OG1 2.92Å; S67-D93 PolarHBondContact O-N 2.95Å
68	A	97.9	Very high	98.2	Very high	27 Å²	27	42.2 Å²	42.2	22%	0.223	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51	32.6	-177.3	0	0	0	0	0	112.7	M51 D52 D93	M51-A68 PolarHBondContact O-N 2.87Å; M51-A68 VanDerWaalsContact O-N 3.14Å; D52-A68 PolarHBondContact OD1-N 3.14Å; A68-D93 HydrophobicContact CB-CB 4.28Å
69	V	98.3	Very high	98.2	Very high	4 Å²	4	39 Å²	39	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.7	177.3	-63.2	0	0	0	0	110.1	M51 V66 S67 I72 P75 L78 A96	M51-V69 HydrophobicContact CB-CG2 4.22Å; M51-V69 PolarHBondContact N-O 3.13Å; M51-V69 VanDerWaalsContact O-CG2 3.29Å; M51-V69 WeakPolarHBondContact O-CG2 3.39Å; M51-V69 PolarHBondContact O-N 3.19Å; V66-V69 HydrophobicContact CB-CG1 3.83Å; V66-V69 HydrophobicContact CG2-CG1 4.17Å; V66-V69 HydrophobicContact CG2-CG2 4.06Å; S67-V69 PolarHBondContact O-N 2.71Å; S67-V69 VanDerWaalsContact O-N 3.14Å; V69-I72 HydrophobicContact CB-CD1 4.25Å; V69-P75 HydrophobicContact CG2-CB 4.13Å; V69-P75 HydrophobicContact CG2-CG 4.18Å; V69-L78 HydrophobicContact CG1-CD2 4.14Å; V69-A96 HydrophobicContact CG1-CB 3.5Å; V69-A96 VanDerWaalsContact CG1-CB 3.5Å
70	Q	97.8	Very high	98.3	Very high	75 Å²	75	31.8 Å²	31.8	35%	0.35	18%	0.181	S	C	.	.			trans	-116.6	161.8	177.7	-58.3	-173.4	-13.9	0	0	109.4	E50 I72	E50-Q70 HydrophobicContact CG-CG 3.74Å; E50-Q70 VanDerWaalsContact CG-NE2 3.28Å; E50-Q70 PolarHBondContact OE1-NE2 2.83Å; Q70-I72 WeakPolarHBondContact O-CG1 3.23Å; Q70-I72 PolarHBondContact O-N 2.83Å; Q70-I72 VanDerWaalsContact O-N 3.11Å
71	C	97.4	Very high	98.4	Very high	27 Å²	27	28.7 Å²	28.7	18%	0.182	16%	0.164	C	C	.	.	S	Bend	trans	58.9	25.2	171	-58.1	0	0	0	0	115.8	E107 I108	C71-E107 HydrophobicContact CB-CG 3.57Å; C71-E107 WeakPolarHBondContact O-CA 3.48Å; C71-I108 VanDerWaalsContact CA-O 3.31Å; C71-I108 WeakPolarHBondContact CA-O 3.42Å; C71-I108 WeakPolarHBondContact CB-O 3.44Å; C71-I108 WeakPolarHBondContact O-CG1 3.48Å; C71-I108 PolarHBondContact O-N 3.06Å
72	I	97.6	Very high	98.4	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.046	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-120.4	126.5	178.1	-64.9	178.9	0	0	0	109.5	M51 V69 Q70 N74 L78 A100 V105	M51-I72 WeakPolarHBondContact CE-O 3.47Å; V69-I72 HydrophobicContact CB-CD1 4.25Å; Q70-I72 WeakPolarHBondContact O-CG1 3.23Å; Q70-I72 PolarHBondContact O-N 2.83Å; Q70-I72 VanDerWaalsContact O-N 3.11Å; I72-N74 PolarHBondContact O-N 2.89Å; I72-L78 HydrophobicContact CD1-CD2 3.48Å; I72-L78 VanDerWaalsContact CD1-CD2 3.48Å; I72-A100 HydrophobicContact CD1-CB 3.77Å; I72-V105 HydrophobicContact CG2-CG1 4.18Å
73	A	97.6	Very high	98.4	Very high	35 Å²	35	22.3 Å²	22.3	29%	0.289	13%	0.127	S	C	.	.	S	Bend	trans	-62.8	-44.8	-178.1	0	0	0	0	0	113	I108	A73-I108 HydrophobicContact CB-CD1 3.85Å
74	N	98.6	Very high	98.4	Very high	23 Å²	23	25.1 Å²	25.1	12%	0.123	14%	0.135	C	C	.	.			trans	-129.2	85.4	-173.9	-59.3	119	0	0	0	111.7	V27 E30 D31 I72 I76 K77	V27-N74 HydrophobicContact CG2-CB 4.42Å; E30-N74 WeakPolarHBondContact OE2-CA 3.44Å; E30-N74 WeakPolarHBondContact OE2-CB 3.43Å; E30-N74 PolarHBondContact OE2-ND2 3.41Å; E30-N74 VanDerWaalsContact OE2-ND2 3.08Å; D31-N74 PolarHBondContact OD1-ND2 2.72Å; I72-N74 PolarHBondContact O-N 2.89Å; N74-I76 PolarHBondContact O-N 3.26Å; N74-K77 HydrophobicContact CB-CB 4.38Å; N74-K77 HydrophobicContact CB-CD 4.01Å; N74-K77 HydrophobicContact CB-CG 3.89Å; N74-K77 PolarHBondContact O-N 2.94Å; N74-K77 VanDerWaalsContact O-N 3.12Å
75	P	98.6	Very high	98.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.013	16%	0.162	C	C	.	.	H	α-helix	trans	-51.9	-33.1	176.4	-30.5	36.9	0	0	0	114.7	E30 M51 A53 V66 V69 K77 L78 A79	E30-P75 VanDerWaalsContact OE1-CD 3.3Å; E30-P75 WeakPolarHBondContact OE1-CD 3.37Å; M51-P75 HydrophobicContact CB-CB 4.39Å; M51-P75 HydrophobicContact CB-CG 3.66Å; M51-P75 HydrophobicContact CE-CG 3.66Å; M51-P75 HydrophobicContact CG-CG 4.27Å; M51-P75 HydrophobicContact SD-CG 3.65Å; A53-P75 HydrophobicContact CB-CB 3.64Å; V66-P75 HydrophobicContact CG2-CB 4.35Å; V69-P75 HydrophobicContact CG2-CB 4.13Å; V69-P75 HydrophobicContact CG2-CG 4.18Å; P75-K77 VanDerWaalsContact C-N 3.28Å; P75-K77 PolarHBondContact O-N 3.07Å; P75-L78 PolarHBondContact O-N 3.16Å; P75-L78 VanDerWaalsContact O-N 3.11Å; P75-A79 PolarHBondContact O-N 3.31Å
76	I	98.9	Very high	98.3	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-35	178.6	-164	62.8	0	0	0	113.1	E23 V26 V27 E30 A53 S54 I55 N74 L78 A79 R80	E23-I76 HydrophobicContact CG-CG2 4.32Å; V26-I76 HydrophobicContact CB-CB 4.27Å; V26-I76 HydrophobicContact CB-CG1 3.99Å; V26-I76 HydrophobicContact CB-CG2 4.13Å; V26-I76 HydrophobicContact CG1-CB 3.65Å; V26-I76 HydrophobicContact CG1-CD1 4.25Å; V26-I76 HydrophobicContact CG1-CG1 3.77Å; V26-I76 HydrophobicContact CG1-CG2 3.81Å; V26-I76 HydrophobicContact CG2-CG1 4.49Å; V27-I76 HydrophobicContact CG2-CG2 3.67Å; E30-I76 WeakPolarHBondContact OE1-CB 3.49Å; E30-I76 PolarHBondContact OE1-N 3.35Å; E30-I76 VanDerWaalsContact OE2-CG2 3.3Å; E30-I76 WeakPolarHBondContact OE2-CG2 3.48Å; A53-I76 HydrophobicContact CB-CD1 4.35Å; S54-I76 WeakPolarHBondContact O-CD1 3.35Å; I55-I76 HydrophobicContact CB-CD1 4.01Å; N74-I76 PolarHBondContact O-N 3.26Å; I76-L78 VanDerWaalsContact C-N 3.33Å; I76-A79 WeakPolarHBondContact O-CB 3.3Å; I76-A79 PolarHBondContact O-N 3.42Å; I76-R80 PolarHBondContact O-N 3.31Å
77	K	98.8	Very high	98.2	Very high	93 Å²	93	37.7 Å²	37.7	40%	0.404	20%	0.202	S	C	.	.	H	α-helix	trans	-67.5	-37.7	176.5	-63.5	-169.3	173	171.8	0	111	E23 V27 N74 P75 R80 L81	E23-K77 WeakPolarHBondContact OE1-CG 3.49Å; V27-K77 HydrophobicContact CG2-CD 4.3Å; V27-K77 VanDerWaalsContact CG2-CE 3.45Å; V27-K77 HydrophobicContact CG2-CG 3.94Å; N74-K77 HydrophobicContact CB-CB 4.38Å; N74-K77 HydrophobicContact CB-CD 4.01Å; N74-K77 HydrophobicContact CB-CG 3.89Å; N74-K77 PolarHBondContact O-N 2.94Å; N74-K77 VanDerWaalsContact O-N 3.12Å; P75-K77 VanDerWaalsContact C-N 3.28Å; P75-K77 PolarHBondContact O-N 3.07Å; K77-R80 PolarHBondContact O-N 2.87Å; K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 3.23Å
78	L	98.7	Very high	98.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-67.9	-41.2	174.9	-174.7	65.5	0	0	0	111.2	V66 V69 I72 P75 I76 R80 L81 V82 A96 F99 A100 V105	V66-L78 HydrophobicContact CB-CD2 4.33Å; V66-L78 HydrophobicContact CG1-CB 4.37Å; V66-L78 HydrophobicContact CG1-CD2 3.69Å; V66-L78 HydrophobicContact CG1-CG 3.72Å; V66-L78 HydrophobicContact CG2-CD2 4.4Å; V69-L78 HydrophobicContact CG1-CD2 4.14Å; I72-L78 HydrophobicContact CD1-CD2 3.48Å; I72-L78 VanDerWaalsContact CD1-CD2 3.48Å; P75-L78 PolarHBondContact O-N 3.16Å; P75-L78 VanDerWaalsContact O-N 3.11Å; I76-L78 VanDerWaalsContact C-N 3.33Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 3.36Å; L78-L81 HydrophobicContact CD1-CD1 4.31Å; L78-L81 WeakPolarHBondContact O-CB 3.2Å; L78-L81 PolarHBondContact O-N 3.14Å; L78-L81 VanDerWaalsContact O-N 3.1Å; L78-V82 WeakPolarHBondContact O-CG2 3.36Å; L78-V82 PolarHBondContact O-N 2.95Å; L78-A96 HydrophobicContact CD2-CB 4.49Å; L78-F99 HydrophobicContact CD1-CD1 3.7Å; L78-F99 HydrophobicContact CD1-CE1 3.9Å; L78-A100 HydrophobicContact CD1-CB 3.76Å; L78-A100 HydrophobicContact CD2-CB 3.96Å; L78-V105 HydrophobicContact CD1-CG2 4.19Å
79	A	98.9	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-40.7	173.4	0	0	0	0	0	111.8	A53 I55 G64 V66 P75 I76 V82 M83	A53-A79 HydrophobicContact CB-CB 4.32Å; I55-A79 HydrophobicContact CG2-CB 4.3Å; G64-A79 CarbonylContact C-O 3.55Å; G64-A79 WeakPolarHBondContact CA-O 3.33Å; V66-A79 HydrophobicContact CG2-CB 4.42Å; P75-A79 PolarHBondContact O-N 3.31Å; I76-A79 WeakPolarHBondContact O-CB 3.3Å; I76-A79 PolarHBondContact O-N 3.42Å; A79-V82 WeakPolarHBondContact O-CB 3.34Å; A79-V82 PolarHBondContact O-N 3.1Å; A79-M83 PolarHBondContact O-N 3.37Å; A79-M83 VanDerWaalsContact O-N 3.14Å
80	R	98.8	Very high	98.2	Very high	37 Å²	37	50.8 Å²	50.8	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-41.3	173	-173	173.6	-178.9	159.6	4.1	112.7	D20 E23 I55 I76 K77 L78 V82 M83 E84	D20-R80 IonicContact OD1-CZ 3.86Å; D20-R80 IonicContact OD1-NH1 2.72Å; D20-R80 PolarHBondContact OD1-NH1 3.49Å; D20-R80 IonicContact OD1-NH2 2.78Å; D20-R80 PolarHBondContact OD1-NH2 3.01Å; E23-R80 WeakPolarHBondContact OE1-CD 3.06Å; E23-R80 WeakPolarHBondContact OE2-CD 3.44Å; E23-R80 IonicContact OE2-CZ 3.41Å; E23-R80 IonicContact OE2-NE 3.47Å; E23-R80 IonicContact OE2-NH1 3.29Å; E23-R80 PolarHBondContact OE2-NH1 3.45Å; I55-R80 HydrophobicContact CG2-CB 4.09Å; I76-R80 PolarHBondContact O-N 3.31Å; K77-R80 PolarHBondContact O-N 2.87Å; L78-R80 VanDerWaalsContact C-N 3.27Å; L78-R80 PolarHBondContact O-N 3.36Å; R80-V82 VanDerWaalsContact C-N 3.31Å; R80-V82 PolarHBondContact O-N 3.02Å; R80-M83 HydrophobicContact CG-CE 4.39Å; R80-M83 WeakPolarHBondContact O-CB 3.22Å; R80-M83 PolarHBondContact O-N 3.37Å; R80-E84 HydrophobicContact CG-CG 4.41Å; R80-E84 IonicContact CZ-OE1 3.68Å; R80-E84 IonicContact NE-OE1 2.77Å; R80-E84 PolarHBondContact NE-OE1 2.95Å; R80-E84 IonicContact NH2-OE1 2.66Å; R80-E84 PolarHBondContact NH2-OE1 3.11Å; R80-E84 WeakPolarHBondContact O-CG 3.1Å; R80-E84 PolarHBondContact O-N 2.98Å
81	L	98.7	Very high	98.2	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-38.1	174.1	-71.3	169.9	0	0	0	112.2	K77 L78 M83 E84 K85 F99 M103 V105	K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 3.23Å; L78-L81 HydrophobicContact CD1-CD1 4.31Å; L78-L81 WeakPolarHBondContact O-CB 3.2Å; L78-L81 PolarHBondContact O-N 3.14Å; L78-L81 VanDerWaalsContact O-N 3.1Å; L81-M83 VanDerWaalsContact C-N 3.33Å; L81-M83 PolarHBondContact O-N 3.43Å; L81-E84 PolarHBondContact O-N 3.24Å; L81-K85 HydrophobicContact CD2-CG 4.14Å; L81-K85 VanDerWaalsContact O-CB 3.23Å; L81-K85 WeakPolarHBondContact O-CB 3.17Å; L81-K85 WeakPolarHBondContact O-CG 3.49Å; L81-K85 PolarHBondContact O-N 3.33Å; L81-F99 HydrophobicContact CB-CE1 3.82Å; L81-F99 HydrophobicContact CB-CZ 4.02Å; L81-M103 HydrophobicContact CD1-CB 3.94Å; L81-M103 HydrophobicContact CD1-CG 4.34Å; L81-V105 HydrophobicContact CD1-CG2 3.56Å
82	V	98.8	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-47.8	174.4	173	0	0	0	0	110.5	V66 L78 A79 R80 E84 T86 H88 L91 F99	V66-V82 HydrophobicContact CG1-CG2 3.83Å; L78-V82 WeakPolarHBondContact O-CG2 3.36Å; L78-V82 PolarHBondContact O-N 2.95Å; A79-V82 WeakPolarHBondContact O-CB 3.34Å; A79-V82 PolarHBondContact O-N 3.1Å; R80-V82 VanDerWaalsContact C-N 3.31Å; R80-V82 PolarHBondContact O-N 3.02Å; V82-E84 PolarHBondContact O-N 3.33Å; V82-T86 PolarHBondContact O-N 3.12Å; V82-T86 PolarHBondContact O-OG1 2.89Å; V82-H88 WeakPolarHBondContact CG1-O 3.37Å; V82-L91 HydrophobicContact CG1-CG 4.32Å; V82-L91 HydrophobicContact CG2-CB 4.43Å; V82-L91 HydrophobicContact CG2-CD1 3.8Å; V82-L91 HydrophobicContact CG2-CG 4.01Å; V82-F99 HydrophobicContact CB-CE1 4.43Å; V82-F99 HydrophobicContact CG2-CD1 3.92Å; V82-F99 HydrophobicContact CG2-CE1 3.62Å; V82-F99 HydrophobicContact CG2-CZ 4.5Å
83	M	98.6	Very high	98.2	Very high	24 Å²	24	54.8 Å²	54.8	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-44	178.1	-173.2	179.6	78.5	0	0	112.6	V19 I55 A79 R80 L81	V19-M83 HydrophobicContact CG1-CE 4.15Å; I55-M83 HydrophobicContact CG2-SD 4.2Å; A79-M83 PolarHBondContact O-N 3.37Å; A79-M83 VanDerWaalsContact O-N 3.14Å; R80-M83 HydrophobicContact CG-CE 4.39Å; R80-M83 WeakPolarHBondContact O-CB 3.22Å; R80-M83 PolarHBondContact O-N 3.37Å; L81-M83 VanDerWaalsContact C-N 3.33Å; L81-M83 PolarHBondContact O-N 3.43Å
84	E	98.3	Very high	98.2	Very high	91 Å²	91	59.5 Å²	59.5	43%	0.425	30%	0.303	S	S	.	.	H	α-helix	trans	-91.1	-25.2	-170.6	-68.3	-177.8	-178	0	0	114.6	R80 L81 V82	R80-E84 HydrophobicContact CG-CG 4.41Å; R80-E84 IonicContact CZ-OE1 3.68Å; R80-E84 IonicContact NE-OE1 2.77Å; R80-E84 PolarHBondContact NE-OE1 2.95Å; R80-E84 IonicContact NH2-OE1 2.66Å; R80-E84 PolarHBondContact NH2-OE1 3.11Å; R80-E84 WeakPolarHBondContact O-CG 3.1Å; R80-E84 PolarHBondContact O-N 2.98Å; L81-E84 PolarHBondContact O-N 3.24Å; V82-E84 PolarHBondContact O-N 3.33Å
85	K	98.3	Very high	98.2	Very high	129 Å²	129	60.1 Å²	60.1	56%	0.561	32%	0.315	S	S	*	.	H	α-helix	trans	-117.9	-0.3	-167.3	-52.8	-61.2	176.9	-169.1	0	114	L81 F99 M103	L81-K85 HydrophobicContact CD2-CG 4.14Å; L81-K85 VanDerWaalsContact O-CB 3.23Å; L81-K85 WeakPolarHBondContact O-CB 3.17Å; L81-K85 WeakPolarHBondContact O-CG 3.49Å; L81-K85 PolarHBondContact O-N 3.33Å; K85-F99 HydrophobicContact CB-CE2 4.43Å; K85-F99 HydrophobicContact CB-CZ 4.16Å; K85-M103 HydrophobicContact CB-SD 4Å; K85-M103 HydrophobicContact CG-SD 4.04Å
86	T	97.4	Very high	98.2	Very high	29 Å²	29	60 Å²	60	18%	0.178	31%	0.314	C	S	.	.			trans	-133.6	156.1	-179.2	85.2	0	0	0	0	111.2	V82 H88 F99	V82-T86 PolarHBondContact O-N 3.12Å; V82-T86 PolarHBondContact O-OG1 2.89Å; T86-H88 PolarHBondContact O-N 3.19Å; T86-H88 PolarHBondContact OG1-N 3.08Å; T86-H88 VanDerWaalsContact OG1-N 3.12Å; T86-H88 PolarHBondContact OG1-O 2.92Å; T86-F99 HydrophobicContact CG2-CD2 4Å; T86-F99 HydrophobicContact CG2-CE1 4.32Å; T86-F99 HydrophobicContact CG2-CE2 3.29Å; T86-F99 HydrophobicContact CG2-CZ 3.48Å; T86-F99 VanDerWaalsContact CG2-CZ 3.48Å
87	P	96.8	Very high	98.1	Very high	123 Å²	123	62.3 Å²	62.3	80%	0.799	33%	0.334	S	S	*	.	S	Bend	trans	-79.4	3.1	168.5	34.8	-36.2	0	0	0	112.7
88	H	97.5	Very high	98.1	Very high	116 Å²	116	64.4 Å²	64.4	54%	0.537	35%	0.345	S	S	.	.			trans	-106.9	149.7	-176.4	-58.1	-57	0	0	0	110.3	V82 T86	V82-H88 WeakPolarHBondContact CG1-O 3.37Å; T86-H88 PolarHBondContact O-N 3.19Å; T86-H88 PolarHBondContact OG1-N 3.08Å; T86-H88 VanDerWaalsContact OG1-N 3.12Å; T86-H88 PolarHBondContact OG1-O 2.92Å
89	C	96.9	Very high	98.1	Very high	80 Å²	80	65.7 Å²	65.7	54%	0.541	35%	0.351	S	S	.	.	S	Bend	trans	-96.4	-11.3	179.1	-54.2	0	0	0	0	113.3	G64 A65	G64-C89 CarbonylContact C-O 3.59Å; G64-C89 VanDerWaalsContact CA-O 3.31Å; G64-C89 WeakPolarHBondContact CA-O 3.4Å; A65-C89 PolarHBondContact N-O 2.85Å
90	F	98.6	Very high	98.1	Very high	127 Å²	127	65.9 Å²	65.9	56%	0.557	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.3	123.9	-171.6	-164	-177.3	0	0	0	111.5	A65 S67	A65-F90 HydrophobicContact CB-CB 4.28Å; A65-F90 HydrophobicContact CB-CD2 3.54Å; A65-F90 HydrophobicContact CB-CE2 3.99Å; A65-F90 HydrophobicContact CB-CG 3.95Å; A65-F90 WeakPolarHBondContact O-CA 3.44Å; A65-F90 WeakPolarHBondContact O-CD2 3.27Å; S67-F90 VanDerWaalsContact OG-CE2 3.26Å; S67-F90 WeakPolarHBondContact OG-CE2 3.37Å; S67-F90 WeakPolarHBondContact OG-CZ 3.45Å
91	L	98.7	Very high	98	Very high	33 Å²	33	67.6 Å²	67.6	17%	0.173	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.6	170.4	-58.7	-178.1	0	0	0	110.2	A65 V66 S67 V82 A96 F99	A65-L91 PolarHBondContact O-N 3.27Å; V66-L91 VanDerWaalsContact CA-O 3.24Å; V66-L91 WeakPolarHBondContact CA-O 3.18Å; S67-L91 PolarHBondContact N-O 2.65Å; S67-L91 VanDerWaalsContact N-O 3.15Å; V82-L91 HydrophobicContact CG1-CG 4.32Å; V82-L91 HydrophobicContact CG2-CB 4.43Å; V82-L91 HydrophobicContact CG2-CD1 3.8Å; V82-L91 HydrophobicContact CG2-CG 4.01Å; L91-A96 HydrophobicContact CB-CB 3.87Å; L91-F99 HydrophobicContact CD1-CB 3.56Å; L91-F99 HydrophobicContact CD1-CD1 3.58Å; L91-F99 HydrophobicContact CD1-CD2 4.19Å; L91-F99 HydrophobicContact CD1-CE1 4.34Å; L91-F99 HydrophobicContact CD1-CG 3.5Å; L91-F99 VanDerWaalsContact CD1-CG 3.5Å
92	T	98.5	Very high	98	Very high	79 Å²	79	69.3 Å²	69.3	49%	0.485	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.7	-179.1	-169.8	0	0	0	0	111.5	S67 Q94 G95 A96	S67-T92 WeakPolarHBondContact O-CA 3.39Å; S67-T92 PolarHBondContact O-OG1 3.26Å; S67-T92 VanDerWaalsContact OG-CB 3.22Å; S67-T92 WeakPolarHBondContact OG-CB 3.18Å; S67-T92 PolarHBondContact OG-OG1 2.92Å; T92-Q94 PolarHBondContact O-N 2.95Å; T92-G95 PolarHBondContact O-N 2.91Å; T92-A96 PolarHBondContact O-N 3.46Å
93	D	97.3	Very high	98	Very high	84 Å²	84	73.1 Å²	73.1	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	48.2	-127.7	167.5	-174.1	11.2	0	0	0	111.6	S67 A68 G95 A96 A97	S67-D93 PolarHBondContact O-N 2.95Å; A68-D93 HydrophobicContact CB-CB 4.28Å; D93-G95 PolarHBondContact O-N 2.85Å; D93-G95 VanDerWaalsContact O-N 3.15Å; D93-A96 WeakPolarHBondContact O-CB 3.43Å; D93-A96 PolarHBondContact O-N 2.91Å; D93-A97 PolarHBondContact O-N 3.26Å
94	Q	97.3	Very high	97.9	Very high	134 Å²	134	74.9 Å²	74.9	63%	0.626	44%	0.437	S	S	*	.	H	α-helix	trans	-56.6	-33.6	-178.2	-62.7	-173.8	-8.1	0	0	113.6	T92 A97 Q98	T92-Q94 PolarHBondContact O-N 2.95Å; Q94-A97 PolarHBondContact O-N 2.89Å; Q94-Q98 WeakPolarHBondContact O-CB 3.5Å; Q94-Q98 VanDerWaalsContact O-CG 3.26Å; Q94-Q98 WeakPolarHBondContact O-CG 3.37Å; Q94-Q98 PolarHBondContact O-N 3.3Å
95	G	97.9	Very high	97.9	Very high	36 Å²	36	72.2 Å²	72.2	37%	0.371	43%	0.427	S	S	.	.	H	α-helix	trans	-67	-40.3	177.4	0	0	0	0	0	111.9	T92 D93 F99	T92-G95 PolarHBondContact O-N 2.91Å; D93-G95 PolarHBondContact O-N 2.85Å; D93-G95 VanDerWaalsContact O-N 3.15Å; G95-F99 WeakPolarHBondContact O-CB 3.42Å; G95-F99 PolarHBondContact O-N 3.14Å; G95-F99 VanDerWaalsContact O-N 3.13Å
96	A	98.4	Very high	97.8	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-69.3	-38	174.4	0	0	0	0	0	111.8	V66 V69 L78 L91 T92 D93 F99 A100	V66-A96 HydrophobicContact CB-CB 4.46Å; V66-A96 HydrophobicContact CG1-CB 4.23Å; V69-A96 HydrophobicContact CG1-CB 3.5Å; V69-A96 VanDerWaalsContact CG1-CB 3.5Å; L78-A96 HydrophobicContact CD2-CB 4.49Å; L91-A96 HydrophobicContact CB-CB 3.87Å; T92-A96 PolarHBondContact O-N 3.46Å; D93-A96 WeakPolarHBondContact O-CB 3.43Å; D93-A96 PolarHBondContact O-N 2.91Å; A96-F99 PolarHBondContact O-N 2.93Å; A96-A100 WeakPolarHBondContact O-CB 3.29Å; A96-A100 PolarHBondContact O-N 2.72Å
97	A	97.5	Very high	97.7	Very high	54 Å²	54	77.1 Å²	77.1	45%	0.446	46%	0.459	S	S	.	.	H	α-helix	trans	-64.5	-44.9	176.8	0	0	0	0	0	112.6	D93 Q94 F99 A100 A101	D93-A97 PolarHBondContact O-N 3.26Å; Q94-A97 PolarHBondContact O-N 2.89Å; A97-F99 VanDerWaalsContact C-N 3.31Å; A97-F99 PolarHBondContact O-N 3.02Å; A97-A100 WeakPolarHBondContact O-CB 3.24Å; A97-A100 PolarHBondContact O-N 2.66Å; A97-A101 PolarHBondContact O-N 2.87Å
98	Q	98.3	Very high	97.7	Very high	137 Å²	137	73.1 Å²	73.1	64%	0.64	43%	0.43	S	S	*	.	H	α-helix	trans	-61.7	-41.4	174.9	-72.3	171.9	21.8	0	0	111.5	Q94 A101 A102	Q94-Q98 WeakPolarHBondContact O-CB 3.5Å; Q94-Q98 VanDerWaalsContact O-CG 3.26Å; Q94-Q98 WeakPolarHBondContact O-CG 3.37Å; Q94-Q98 PolarHBondContact O-N 3.3Å; Q98-A101 PolarHBondContact O-N 3.19Å; Q98-A102 WeakPolarHBondContact O-CB 3.47Å; Q98-A102 PolarHBondContact O-N 3.42Å
99	F	98.5	Very high	97.7	Very high	27 Å²	27	70.6 Å²	70.6	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-64.1	-43.2	175.7	176.5	-109.8	0	0	0	112.1	L78 L81 V82 K85 T86 L91 G95 A96 A97 A101 A102 M103	L78-F99 HydrophobicContact CD1-CD1 3.7Å; L78-F99 HydrophobicContact CD1-CE1 3.9Å; L81-F99 HydrophobicContact CB-CE1 3.82Å; L81-F99 HydrophobicContact CB-CZ 4.02Å; V82-F99 HydrophobicContact CB-CE1 4.43Å; V82-F99 HydrophobicContact CG2-CD1 3.92Å; V82-F99 HydrophobicContact CG2-CE1 3.62Å; V82-F99 HydrophobicContact CG2-CZ 4.5Å; K85-F99 HydrophobicContact CB-CE2 4.43Å; K85-F99 HydrophobicContact CB-CZ 4.16Å; T86-F99 HydrophobicContact CG2-CD2 4Å; T86-F99 HydrophobicContact CG2-CE1 4.32Å; T86-F99 HydrophobicContact CG2-CE2 3.29Å; T86-F99 HydrophobicContact CG2-CZ 3.48Å; T86-F99 VanDerWaalsContact CG2-CZ 3.48Å; L91-F99 HydrophobicContact CD1-CB 3.56Å; L91-F99 HydrophobicContact CD1-CD1 3.58Å; L91-F99 HydrophobicContact CD1-CD2 4.19Å; L91-F99 HydrophobicContact CD1-CE1 4.34Å; L91-F99 HydrophobicContact CD1-CG 3.5Å; L91-F99 VanDerWaalsContact CD1-CG 3.5Å; G95-F99 WeakPolarHBondContact O-CB 3.42Å; G95-F99 PolarHBondContact O-N 3.14Å; G95-F99 VanDerWaalsContact O-N 3.13Å; A96-F99 PolarHBondContact O-N 2.93Å; A97-F99 VanDerWaalsContact C-N 3.31Å; A97-F99 PolarHBondContact O-N 3.02Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.29Å; F99-A102 PolarHBondContact O-N 2.98Å; F99-M103 HydrophobicContact CD1-CG 4.46Å; F99-M103 HydrophobicContact CD2-CG 4.07Å; F99-M103 HydrophobicContact CE1-CG 4Å; F99-M103 HydrophobicContact CE2-CE 4.25Å; F99-M103 HydrophobicContact CE2-CG 3.56Å; F99-M103 HydrophobicContact CE2-SD 3.88Å; F99-M103 HydrophobicContact CG-CG 4.49Å; F99-M103 HydrophobicContact CZ-CG 3.53Å; F99-M103 HydrophobicContact CZ-SD 4.04Å; F99-M103 WeakPolarHBondContact O-CG 3.26Å; F99-M103 PolarHBondContact O-N 2.78Å
100	A	98.4	Very high	97.5	Very high	5 Å²	5	67.8 Å²	67.8	4%	0.041	41%	0.409	C	S	.	.	H	α-helix	trans	-57.3	-47.1	175.7	0	0	0	0	0	111.5	I72 L78 A96 A97 A102 M103 G104 V105	I72-A100 HydrophobicContact CD1-CB 3.77Å; L78-A100 HydrophobicContact CD1-CB 3.76Å; L78-A100 HydrophobicContact CD2-CB 3.96Å; A96-A100 WeakPolarHBondContact O-CB 3.29Å; A96-A100 PolarHBondContact O-N 2.72Å; A97-A100 WeakPolarHBondContact O-CB 3.24Å; A97-A100 PolarHBondContact O-N 2.66Å; A100-A102 PolarHBondContact O-N 3.43Å; A100-M103 PolarHBondContact O-N 2.96Å; A100-G104 PolarHBondContact O-N 3.22Å; A100-G104 VanDerWaalsContact O-N 3.16Å; A100-V105 HydrophobicContact CB-CB 4.07Å; A100-V105 HydrophobicContact CB-CG2 4.44Å; A100-V105 WeakPolarHBondContact O-CB 3.41Å; A100-V105 PolarHBondContact O-N 2.92Å
101	A	98.1	Very high	97.3	Very high	73 Å²	73	68.7 Å²	68.7	60%	0.603	42%	0.415	S	S	*	.	H	α-helix	trans	-61.3	-44.2	175.9	0	0	0	0	0	112.1	A97 Q98 F99 M103 G104	A97-A101 PolarHBondContact O-N 2.87Å; Q98-A101 PolarHBondContact O-N 3.19Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.29Å; A101-M103 VanDerWaalsContact C-N 3.27Å; A101-M103 PolarHBondContact O-N 2.87Å; A101-G104 PolarHBondContact O-N 3.38Å; A101-G104 VanDerWaalsContact O-N 3.07Å
102	A	98.3	Very high	97.1	Very high	74 Å²	74	74 Å²	74	61%	0.612	44%	0.437	S	S	*	.	H	α-helix	trans	-63.5	-31.8	178	0	0	0	0	0	113.1	Q98 F99 A100 G104	Q98-A102 WeakPolarHBondContact O-CB 3.47Å; Q98-A102 PolarHBondContact O-N 3.42Å; F99-A102 PolarHBondContact O-N 2.98Å; A100-A102 PolarHBondContact O-N 3.43Å; A102-G104 VanDerWaalsContact C-N 3.32Å
103	M	98.2	Very high	96.9	Very high	80 Å²	80	70.4 Å²	70.4	39%	0.394	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.7	175.8	-63.8	-61.3	93.9	0	0	113.6	L81 K85 F99 A100 A101 V105	L81-M103 HydrophobicContact CD1-CB 3.94Å; L81-M103 HydrophobicContact CD1-CG 4.34Å; K85-M103 HydrophobicContact CB-SD 4Å; K85-M103 HydrophobicContact CG-SD 4.04Å; F99-M103 HydrophobicContact CD1-CG 4.46Å; F99-M103 HydrophobicContact CD2-CG 4.07Å; F99-M103 HydrophobicContact CE1-CG 4Å; F99-M103 HydrophobicContact CE2-CE 4.25Å; F99-M103 HydrophobicContact CE2-CG 3.56Å; F99-M103 HydrophobicContact CE2-SD 3.88Å; F99-M103 HydrophobicContact CG-CG 4.49Å; F99-M103 HydrophobicContact CZ-CG 3.53Å; F99-M103 HydrophobicContact CZ-SD 4.04Å; F99-M103 WeakPolarHBondContact O-CG 3.26Å; F99-M103 PolarHBondContact O-N 2.78Å; A100-M103 PolarHBondContact O-N 2.96Å; A101-M103 VanDerWaalsContact C-N 3.27Å; A101-M103 PolarHBondContact O-N 2.87Å; M103-V105 HydrophobicContact CB-CG2 4.37Å
104	G	97.7	Very high	96.9	Very high	61 Å²	61	67.7 Å²	67.7	63%	0.629	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	24.2	-179.6	0	0	0	0	0	114.1	A100 A101 A102 P106	A100-G104 PolarHBondContact O-N 3.22Å; A100-G104 VanDerWaalsContact O-N 3.16Å; A101-G104 PolarHBondContact O-N 3.38Å; A101-G104 VanDerWaalsContact O-N 3.07Å; A102-G104 VanDerWaalsContact C-N 3.32Å; G104-P106 WeakPolarHBondContact O-CD 3.45Å
105	V	97.9	Very high	96.9	Very high	35 Å²	35	62.3 Å²	62.3	21%	0.212	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-67.8	126.2	173.4	177.5	0	0	0	0	108.8	I72 L78 L81 A100 M103 E107	I72-V105 HydrophobicContact CG2-CG1 4.18Å; L78-V105 HydrophobicContact CD1-CG2 4.19Å; L81-V105 HydrophobicContact CD1-CG2 3.56Å; A100-V105 HydrophobicContact CB-CB 4.07Å; A100-V105 HydrophobicContact CB-CG2 4.44Å; A100-V105 WeakPolarHBondContact O-CB 3.41Å; A100-V105 PolarHBondContact O-N 2.92Å; M103-V105 HydrophobicContact CB-CG2 4.37Å; V105-E107 PolarHBondContact O-N 3.36Å
106	P	96	Very high	96.8	Very high	101 Å²	101	66 Å²	66	66%	0.656	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-64.3	126.3	179.7	-22.5	33.6	0	0	0	111.8	G104	G104-P106 WeakPolarHBondContact O-CD 3.45Å
107	E	96.2	Very high	96.7	Very high	160 Å²	160	70.7 Å²	70.7	75%	0.748	40%	0.403	S	S	*	.	B	Isolated β-bridge	trans	-76.1	133.4	166.8	-166.9	178.2	174.7	0	0	109.4	C71 V105	C71-E107 HydrophobicContact CB-CG 3.57Å; C71-E107 WeakPolarHBondContact O-CA 3.48Å; V105-E107 PolarHBondContact O-N 3.36Å
108	I	96.2	Very high	96.7	Very high	39 Å²	39	68.3 Å²	68.3	20%	0.2	38%	0.383	C	S	.	.			trans	-116.5	146.2	174.5	60.7	162.2	0	0	0	110	C71 A73 G110 L113	C71-I108 VanDerWaalsContact CA-O 3.31Å; C71-I108 WeakPolarHBondContact CA-O 3.42Å; C71-I108 WeakPolarHBondContact CB-O 3.44Å; C71-I108 WeakPolarHBondContact O-CG1 3.48Å; C71-I108 PolarHBondContact O-N 3.06Å; A73-I108 HydrophobicContact CB-CD1 3.85Å; I108-G110 PolarHBondContact O-N 3.36Å; I108-L113 HydrophobicContact CD1-CD1 4.18Å; I108-L113 HydrophobicContact CD1-CD2 3.62Å; I108-L113 HydrophobicContact CD1-CG 3.71Å; I108-L113 HydrophobicContact CG1-CG 4.5Å
109	P	96.3	Very high	96.6	Very high	63 Å²	63	65.7 Å²	65.7	41%	0.409	37%	0.369	S	S	.	.			trans	-54.6	129.3	173.5	-24.5	32.4	0	0	0	110.8	E111 K112	P109-E111 VanDerWaalsContact CB-OE2 3.3Å; P109-E111 WeakPolarHBondContact CB-OE2 3.46Å; P109-E111 PolarHBondContact O-N 3.15Å; P109-E111 VanDerWaalsContact O-N 3.12Å; P109-K112 HydrophobicContact CB-CG 4.3Å; P109-K112 HydrophobicContact CG-CD 4.38Å; P109-K112 WeakPolarHBondContact O-CB 3.35Å; P109-K112 PolarHBondContact O-N 3Å
110	G	93.4	Very high	96.5	Very high	22 Å²	22	71.1 Å²	71.1	23%	0.227	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-56.2	-30.8	-177.4	0	0	0	0	0	112.8	I108 K112 L113	I108-G110 PolarHBondContact O-N 3.36Å; G110-K112 PolarHBondContact O-N 3.25Å; G110-L113 WeakPolarHBondContact O-CB 3.32Å; G110-L113 PolarHBondContact O-N 3.34Å
111	E	94.1	Very high	96.3	Very high	146 Å²	146	75.7 Å²	75.7	68%	0.682	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-61.9	-25.9	176.9	-55.9	80.6	-176.9	0	0	112.9	P109 L113 V114	P109-E111 VanDerWaalsContact CB-OE2 3.3Å; P109-E111 WeakPolarHBondContact CB-OE2 3.46Å; P109-E111 PolarHBondContact O-N 3.15Å; P109-E111 VanDerWaalsContact O-N 3.12Å; E111-L113 PolarHBondContact O-N 3.18Å; E111-V114 PolarHBondContact O-N 3.29Å
112	K	94.5	Very high	96.2	Very high	144 Å²	144	73 Å²	73	63%	0.626	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-71.3	-20.2	176.1	-66.7	-171	-177.9	176.5	0	113	P109 G110	P109-K112 HydrophobicContact CB-CG 4.3Å; P109-K112 HydrophobicContact CG-CD 4.38Å; P109-K112 WeakPolarHBondContact O-CB 3.35Å; P109-K112 PolarHBondContact O-N 3Å; G110-K112 PolarHBondContact O-N 3.25Å
113	L	95.7	Very high	96.1	Very high	4 Å²	4	74.9 Å²	74.9	2%	0.021	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-17.8	175.3	-65.1	169.7	0	0	0	112.1	C39 G40 V49 M51 I108 G110 E111	C39-L113 HydrophobicContact CB-CD2 4.37Å; G40-L113 PolarHBondContact N-O 3.29Å; V49-L113 HydrophobicContact CB-CB 4.24Å; V49-L113 HydrophobicContact CB-CD1 4.48Å; V49-L113 HydrophobicContact CG1-CB 4.18Å; V49-L113 HydrophobicContact CG1-CD1 4.08Å; V49-L113 HydrophobicContact CG2-CB 4.06Å; M51-L113 HydrophobicContact CE-CD1 3.66Å; I108-L113 HydrophobicContact CD1-CD1 4.18Å; I108-L113 HydrophobicContact CD1-CD2 3.62Å; I108-L113 HydrophobicContact CD1-CG 3.71Å; I108-L113 HydrophobicContact CG1-CG 4.5Å; G110-L113 WeakPolarHBondContact O-CB 3.32Å; G110-L113 PolarHBondContact O-N 3.34Å; E111-L113 PolarHBondContact O-N 3.18Å
114	V	96.3	Very high	95.9	Very high	27 Å²	27	77.1 Å²	77.1	16%	0.164	39%	0.388	C	S	.	.			trans	-84.8	128.8	-175.8	-178.6	0	0	0	0	110.8	L43 V49 E111 K119	L43-V114 HydrophobicContact CD1-CG1 4.13Å; L43-V114 HydrophobicContact CD2-CB 4.42Å; L43-V114 HydrophobicContact CD2-CG1 3.99Å; L43-V114 HydrophobicContact CD2-CG2 3.84Å; V49-V114 HydrophobicContact CG2-CG2 3.96Å; E111-V114 PolarHBondContact O-N 3.29Å; V114-K119 HydrophobicContact CG1-CD 4.04Å; V114-K119 HydrophobicContact CG1-CG 3.51Å
115	T	96.5	Very high	95.7	Very high	20 Å²	20	77.1 Å²	77.1	12%	0.123	37%	0.371	C	S	.	.			trans	-100.7	149.7	171.9	69	0	0	0	0	111.6	P33 R117 N118 K119	P33-T115 HydrophobicContact CB-CG2 3.83Å; T115-R117 PolarHBondContact O-N 3.19Å; T115-N118 PolarHBondContact O-N 2.77Å; T115-N118 PolarHBondContact OG1-N 3.37Å; T115-N118 PolarHBondContact OG1-ND2 3.36Å; T115-N118 VanDerWaalsContact OG1-ND2 3.13Å; T115-K119 PolarHBondContact O-N 2.63Å
116	E	96.4	Very high	95.3	Very high	114 Å²	114	81 Å²	81	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-58.3	-32.2	173.5	-68.9	-56.2	125.2	0	0	112.5	K119 K120	E116-K119 PolarHBondContact O-N 3.21Å; E116-K119 WeakPolarHBondContact OE1-CD 3.45Å; E116-K119 WeakPolarHBondContact OE1-CE 3.48Å; E116-K119 IonicContact OE1-NZ 3.83Å; E116-K119 PolarHBondContact OE1-NZ 3.14Å; E116-K120 WeakPolarHBondContact O-CG 3.47Å; E116-K120 PolarHBondContact O-N 3.13Å; E116-K120 VanDerWaalsContact O-N 3.09Å
117	R	96.8	Very high	94.9	Very high	99 Å²	99	83.1 Å²	83.1	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-48.3	173.6	-179.7	-179.3	65.4	154.5	4.4	111.1	P33 E34 T115 R121	P33-R117 PolarHBondContact O-NH2 3.28Å; E34-R117 PolarHBondContact O-NH1 3.25Å; E34-R117 PolarHBondContact O-NH2 3.45Å; E34-R117 IonicContact OE1-CZ 2.75Å; E34-R117 IonicContact OE1-NH1 3.96Å; E34-R117 PolarHBondContact OE1-NH1 2.9Å; E34-R117 IonicContact OE2-CZ 2.95Å; E34-R117 IonicContact OE2-NH1 3.7Å; E34-R117 PolarHBondContact OE2-NH1 3.12Å; T115-R117 PolarHBondContact O-N 3.19Å; R117-R121 PolarHBondContact O-N 3.46Å; R117-R121 VanDerWaalsContact O-N 3.07Å
118	N	96.4	Very high	94.4	Very high	4 Å²	4	80 Å²	80	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-76	-31.6	-177.6	-67.5	-28	0	0	0	112.9	G40 S41 L43 T115 R121 L122	G40-N118 VanDerWaalsContact C-ND2 3.28Å; G40-N118 PolarHBondContact O-ND2 3.06Å; S41-N118 PolarHBondContact O-ND2 3.43Å; L43-N118 HydrophobicContact CG-CB 4.21Å; T115-N118 PolarHBondContact O-N 2.77Å; T115-N118 PolarHBondContact OG1-N 3.37Å; T115-N118 PolarHBondContact OG1-ND2 3.36Å; T115-N118 VanDerWaalsContact OG1-ND2 3.13Å; N118-R121 PolarHBondContact O-N 2.92Å; N118-L122 PolarHBondContact O-N 3.06Å
119	K	96.3	Very high	93.4	Very high	82 Å²	82	84.5 Å²	84.5	36%	0.357	39%	0.39	S	S	.	.	H	α-helix	trans	-57.8	-53.8	170	-69	-178.6	-174	167.6	0	111.3	L43 V114 T115 E116 R121 L122 E123	L43-K119 HydrophobicContact CD1-CG 4.19Å; V114-K119 HydrophobicContact CG1-CD 4.04Å; V114-K119 HydrophobicContact CG1-CG 3.51Å; T115-K119 PolarHBondContact O-N 2.63Å; E116-K119 PolarHBondContact O-N 3.21Å; E116-K119 WeakPolarHBondContact OE1-CD 3.45Å; E116-K119 WeakPolarHBondContact OE1-CE 3.48Å; E116-K119 IonicContact OE1-NZ 3.83Å; E116-K119 PolarHBondContact OE1-NZ 3.14Å; K119-R121 PolarHBondContact O-N 3.42Å; K119-L122 PolarHBondContact O-N 3.36Å; K119-L122 VanDerWaalsContact O-N 3.16Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.48Å
120	K	96.6	Very high	92	Very high	140 Å²	140	83.8 Å²	83.8	61%	0.609	39%	0.393	S	S	*	.	H	α-helix	trans	-59.3	-36.1	177.5	-72.6	176.3	177.3	177.7	0	112.4	E116 E123 K124	E116-K120 WeakPolarHBondContact O-CG 3.47Å; E116-K120 PolarHBondContact O-N 3.13Å; E116-K120 VanDerWaalsContact O-N 3.09Å; K120-E123 PolarHBondContact O-N 3.23Å; K120-K124 WeakPolarHBondContact O-CB 3.35Å; K120-K124 PolarHBondContact O-N 3.24Å
121	R	95.3	Very high	90.4	Very high	101 Å²	101	86.7 Å²	86.7	38%	0.381	42%	0.416	S	S	.	.	H	α-helix	trans	-64.1	-47.6	176.7	-157.9	-173.3	79.7	-164.9	1.3	111.6	R117 N118 K119 E123 K124 E125	R117-R121 PolarHBondContact O-N 3.46Å; R117-R121 VanDerWaalsContact O-N 3.07Å; N118-R121 PolarHBondContact O-N 2.92Å; K119-R121 PolarHBondContact O-N 3.42Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 2.86Å; R121-K124 PolarHBondContact O-N 2.98Å; R121-E125 IonicContact CZ-OE1 3.51Å; R121-E125 IonicContact NE-OE1 2.72Å; R121-E125 PolarHBondContact NE-OE1 3.4Å; R121-E125 IonicContact NH2-OE1 3.75Å; R121-E125 WeakPolarHBondContact O-CG 3.21Å; R121-E125 PolarHBondContact O-N 3.49Å
122	L	95.7	Very high	88.4	Confident	18 Å²	18	87.7 Å²	87.7	9%	0.094	42%	0.42	C	S	.	.	H	α-helix	trans	-62.1	-40.9	176.9	-179.4	64.6	0	0	0	112	L43 N118 K119 E125 K126	L43-L122 HydrophobicContact CB-CD2 3.91Å; L43-L122 HydrophobicContact CD1-CB 4.38Å; L43-L122 HydrophobicContact CD1-CD2 4.08Å; N118-L122 PolarHBondContact O-N 3.06Å; K119-L122 PolarHBondContact O-N 3.36Å; K119-L122 VanDerWaalsContact O-N 3.16Å; L122-E125 PolarHBondContact O-N 2.91Å; L122-K126 HydrophobicContact CG-CD 4.35Å; L122-K126 WeakPolarHBondContact O-CG 3.47Å; L122-K126 PolarHBondContact O-N 2.91Å
123	E	95.4	Very high	86	Confident	112 Å²	112	92.5 Å²	92.5	52%	0.523	44%	0.441	S	S	.	.	H	α-helix	trans	-58.5	-47.9	174.8	-71.4	173.1	167.5	0	0	111.4	K119 K120 R121 E125 K126 H127	K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.48Å; K120-E123 PolarHBondContact O-N 3.23Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-E123 PolarHBondContact O-N 2.86Å; E123-E125 PolarHBondContact O-N 3.46Å; E123-K126 PolarHBondContact O-N 3.27Å; E123-H127 PolarHBondContact O-CD2 3.04Å; E123-H127 PolarHBondContact O-N 3.36Å
124	K	94.3	Very high	85.5	Confident	128 Å²	128	96.9 Å²	96.9	56%	0.557	46%	0.462	S	S	*	.	H	α-helix	trans	-59.3	-46.3	176.6	-174.8	-179.6	172.2	-176.4	0	111.7	K120 R121 K126 H127 E128	K120-K124 WeakPolarHBondContact O-CB 3.35Å; K120-K124 PolarHBondContact O-N 3.24Å; R121-K124 PolarHBondContact O-N 2.98Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-H127 PolarHBondContact O-N 3.37Å; K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 IonicContact NZ-OE1 3.2Å; K124-E128 WeakPolarHBondContact O-CG 3.46Å; K124-E128 PolarHBondContact O-N 3.12Å
125	E	92.9	Very high	85	Confident	61 Å²	61	100.6 Å²	100.6	29%	0.285	48%	0.478	S	S	.	.	H	α-helix	trans	-60.9	-38.3	177.3	-71	171.5	-153.2	0	0	112.1	R121 L122 E123 K129	R121-E125 IonicContact CZ-OE1 3.51Å; R121-E125 IonicContact NE-OE1 2.72Å; R121-E125 PolarHBondContact NE-OE1 3.4Å; R121-E125 IonicContact NH2-OE1 3.75Å; R121-E125 WeakPolarHBondContact O-CG 3.21Å; R121-E125 PolarHBondContact O-N 3.49Å; L122-E125 PolarHBondContact O-N 2.91Å; E123-E125 PolarHBondContact O-N 3.46Å; E125-K129 WeakPolarHBondContact O-CB 3.48Å; E125-K129 WeakPolarHBondContact O-CG 3.46Å; E125-K129 PolarHBondContact O-N 3.4Å; E125-K129 VanDerWaalsContact O-N 3.09Å
126	K	90.5	Very high	84.3	Confident	115 Å²	115	105.1 Å²	105.1	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-41.6	175.1	-74.9	178.7	179.4	-177.6	0	111.8	T45 L122 E123 K124 G130	T45-K126 PolarHBondContact O-NZ 3.02Å; L122-K126 HydrophobicContact CG-CD 4.35Å; L122-K126 WeakPolarHBondContact O-CG 3.47Å; L122-K126 PolarHBondContact O-N 2.91Å; E123-K126 PolarHBondContact O-N 3.27Å; K124-K126 VanDerWaalsContact C-N 3.31Å; K124-K126 PolarHBondContact O-N 3.47Å; K126-G130 PolarHBondContact O-N 2.91Å
127	H	87.1	Confident	83.6	Confident	146 Å²	146	104.5 Å²	104.5	68%	0.676	50%	0.495	S	S	*	.	H	α-helix	trans	-65.7	-44.6	176.8	-78.3	-65.2	0	0	0	112.6	E123 K124 G130 A131	E123-H127 PolarHBondContact O-CD2 3.04Å; E123-H127 PolarHBondContact O-N 3.36Å; K124-H127 PolarHBondContact O-N 3.37Å; H127-G130 PolarHBondContact O-N 3.35Å; H127-A131 PolarHBondContact O-N 2.88Å
128	E	85.6	Confident	82.8	Confident	96 Å²	96	104.9 Å²	104.9	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-65.9	-42	179.9	-71.5	175.9	172.2	0	0	112.1	K124 G130 A131 Q132	K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 IonicContact NZ-OE1 3.2Å; K124-E128 WeakPolarHBondContact O-CG 3.46Å; K124-E128 PolarHBondContact O-N 3.12Å; E128-G130 VanDerWaalsContact C-N 3.33Å; E128-A131 PolarHBondContact O-N 3.13Å; E128-Q132 WeakPolarHBondContact O-CG 3.45Å; E128-Q132 PolarHBondContact O-N 3.36Å
129	K	75.4	Confident	81.9	Confident	133 Å²	133	111.6 Å²	111.6	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-70.3	-28.8	175.7	-72.2	176.7	178.6	174	0	113	E125	E125-K129 WeakPolarHBondContact O-CB 3.48Å; E125-K129 WeakPolarHBondContact O-CG 3.46Å; E125-K129 PolarHBondContact O-N 3.4Å; E125-K129 VanDerWaalsContact O-N 3.09Å
130	G	67.4	Low	80.9	Confident	47 Å²	47	113.7 Å²	113.7	49%	0.485	55%	0.548	S	S	.	.	H	α-helix	trans	-72.8	-30.7	173.6	0	0	0	0	0	113.4	K126 H127 E128	K126-G130 PolarHBondContact O-N 2.91Å; H127-G130 PolarHBondContact O-N 3.35Å; E128-G130 VanDerWaalsContact C-N 3.33Å
131	A	58.5	Low	79.7	Confident	84 Å²	84	111.7 Å²	111.7	69%	0.694	54%	0.543	S	S	*	.	H	α-helix	trans	-81.1	-12.4	177.6	0	0	0	0	0	114.2	H127 E128	H127-A131 PolarHBondContact O-N 2.88Å; E128-A131 PolarHBondContact O-N 3.13Å
132	Q	52.5	Low	78.4	Confident	166 Å²	166	112.6 Å²	112.6	78%	0.776	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	2.2	177.5	-73.2	174.6	3.3	0	0	113.6	E128	E128-Q132 WeakPolarHBondContact O-CG 3.45Å; E128-Q132 PolarHBondContact O-N 3.36Å
133	K	45	Very low	76.8	Confident	245 Å²	245	121.2 Å²	121.2	100%	1.065	60%	0.599	S	S	*	*			trans	-107.4	0	173.5	-76.5	-175.5	175.2	-176.4	0	110.4

Retrieved 133 of 133 residues in 344.6 ms (Link to these results)

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