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Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087WPZ6, Species MOUSE (Mus musculus, Mouse), Gene Ppil3, Length 90 aa.

						>A0A087WPZ6_MOUSE|A0A087WPZ6|Ppil3
MSVTLHTDVGDIKIEVFCERTPKTCENFLALCASNYYNGCVFHRNIKGFMVQTGDPTGTGRGGSSIWAKKFEDEYSEYLKHNVRGVVSMA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	87.1	Confident	96.7	Very high	145 Å²	145	89.1 Å²	89.1	71%	0.714	50%	0.504	S	S	*	.				0	159.7	0	-69.1	171.7	-162.1	0	0	108.2	V16 L29	M1-V16 PolarHBondContact N-O 3.39Å; M1-V16 PolarHBondContact O-N 3.09Å; M1-L29 HydrophobicContact SD-CD1 4.02Å
2	S	94.6	Very high	96.8	Very high	67 Å²	67	88.3 Å²	88.3	47%	0.469	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152	179.6	67.9	0	0	0	0	113.1	I14	S2-I14 CarbonylContact C-O 3.55Å; S2-I14 WeakPolarHBondContact CA-O 3.47Å; S2-I14 WeakPolarHBondContact CB-O 3.4Å
3	V	97.2	Very high	96.9	Very high	31 Å²	31	93.5 Å²	93.5	19%	0.188	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151	175.9	-107.4	0	0	0	0	109.5	I14 V16 F28 L29	V3-I14 PolarHBondContact N-O 3.15Å; V3-I14 PolarHBondContact O-N 3.36Å; V3-V16 HydrophobicContact CG2-CG2 3.68Å; V3-F28 HydrophobicContact CG2-CD1 4.24Å; V3-F28 HydrophobicContact CG2-CE1 3.5Å; V3-F28 HydrophobicContact CG2-CZ 4.35Å; V3-L29 HydrophobicContact CG1-CD2 4.14Å; V3-L29 HydrophobicContact CG2-CD2 4.16Å
4	T	97.9	Very high	97	Very high	59 Å²	59	88.2 Å²	88.2	36%	0.362	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.8	176.2	-58.6	0	0	0	0	108.9	D11 I12	T4-D11 HydrophobicContact CG2-CB 3.95Å; T4-I12 WeakPolarHBondContact CA-O 3.34Å
5	L	97.9	Very high	97	Very high	43 Å²	43	91.2 Å²	91.2	23%	0.225	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.4	168.4	-58.1	-178.2	0	0	0	108.5	T7 D11 I12 I14	L5-T7 HydrophobicContact CB-CG2 4.3Å; L5-D11 WeakPolarHBondContact O-CA 3.39Å; L5-I12 HydrophobicContact CB-CB 4.33Å; L5-I12 PolarHBondContact N-O 3.11Å; L5-I12 PolarHBondContact O-N 2.63Å; L5-I14 HydrophobicContact CD1-CD1 3.52Å; L5-I14 HydrophobicContact CG-CD1 3.88Å
6	H	98.2	Very high	97	Very high	146 Å²	146	86.3 Å²	86.3	68%	0.676	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	111.4	169.8	-62.5	-63.3	0	0	0	108.2	D11	H6-D11 IonicContact CE1-OD1 3.71Å; H6-D11 IonicContact CE1-OD2 3.53Å; H6-D11 IonicContact CG-OD1 3.7Å; H6-D11 VanDerWaalsContact ND1-CG 3.26Å; H6-D11 IonicContact ND1-OD1 2.77Å; H6-D11 PolarHBondContact ND1-OD1 2.9Å; H6-D11 IonicContact ND1-OD2 3.36Å; H6-D11 PolarHBondContact ND1-OD2 2.77Å
7	T	98.1	Very high	97	Very high	29 Å²	29	87.3 Å²	87.3	18%	0.178	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	162.3	179.4	81.2	0	0	0	0	110.1	L5 V9 G10 I12 F42	L5-T7 HydrophobicContact CB-CG2 4.3Å; T7-V9 PolarHBondContact O-N 3.43Å; T7-V9 WeakPolarHBondContact OG1-CG2 3.4Å; T7-V9 PolarHBondContact OG1-N 2.99Å; T7-G10 WeakPolarHBondContact CB-O 3.35Å; T7-G10 PolarHBondContact N-O 3.02Å; T7-G10 VanDerWaalsContact N-O 3.11Å; T7-G10 PolarHBondContact O-N 3.36Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-G10 PolarHBondContact OG1-N 3.38Å; T7-G10 PolarHBondContact OG1-O 2.88Å; T7-I12 HydrophobicContact CG2-CD1 4.2Å; T7-I12 HydrophobicContact CG2-CG1 4.48Å; T7-F42 HydrophobicContact CG2-CE2 3.91Å; T7-F42 HydrophobicContact CG2-CZ 4.13Å
8	D	98.3	Very high	96.9	Very high	176 Å²	176	84.2 Å²	84.2	94%	0.941	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21	178.1	-58.4	-27.6	0	0	0	113.5
9	V	97.8	Very high	96.8	Very high	143 Å²	143	89.9 Å²	89.9	87%	0.867	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	12.3	-176.7	-61.3	0	0	0	0	113.2	T7	T7-V9 PolarHBondContact O-N 3.43Å; T7-V9 WeakPolarHBondContact OG1-CG2 3.4Å; T7-V9 PolarHBondContact OG1-N 2.99Å
10	G	98	Very high	96.8	Very high	34 Å²	34	90.9 Å²	90.9	35%	0.351	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-179.3	175.8	0	0	0	0	0	114	T7	T7-G10 WeakPolarHBondContact CB-O 3.35Å; T7-G10 PolarHBondContact N-O 3.02Å; T7-G10 VanDerWaalsContact N-O 3.11Å; T7-G10 PolarHBondContact O-N 3.36Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-G10 PolarHBondContact OG1-N 3.38Å; T7-G10 PolarHBondContact OG1-O 2.88Å
11	D	98.3	Very high	96.8	Very high	107 Å²	107	87.4 Å²	87.4	57%	0.572	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.9	-173.8	-70	-10.4	0	0	0	111.9	T4 L5 H6	T4-D11 HydrophobicContact CG2-CB 3.95Å; L5-D11 WeakPolarHBondContact O-CA 3.39Å; H6-D11 IonicContact CE1-OD1 3.71Å; H6-D11 IonicContact CE1-OD2 3.53Å; H6-D11 IonicContact CG-OD1 3.7Å; H6-D11 VanDerWaalsContact ND1-CG 3.26Å; H6-D11 IonicContact ND1-OD1 2.77Å; H6-D11 PolarHBondContact ND1-OD1 2.9Å; H6-D11 IonicContact ND1-OD2 3.36Å; H6-D11 PolarHBondContact ND1-OD2 2.77Å
12	I	98	Very high	97.2	Very high	79 Å²	79	83.9 Å²	83.9	41%	0.405	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	109.8	174.2	-52.8	176.2	0	0	0	108.2	T4 L5 T7 I14	T4-I12 WeakPolarHBondContact CA-O 3.34Å; L5-I12 HydrophobicContact CB-CB 4.33Å; L5-I12 PolarHBondContact N-O 3.11Å; L5-I12 PolarHBondContact O-N 2.63Å; T7-I12 HydrophobicContact CG2-CD1 4.2Å; T7-I12 HydrophobicContact CG2-CG1 4.48Å; I12-I14 HydrophobicContact CG2-CG1 4.09Å
13	K	98.2	Very high	97.3	Very high	157 Å²	157	85.1 Å²	85.1	68%	0.683	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.3	173.7	-167.3	173.9	-177.3	179.7	0	110.1
14	I	98.1	Very high	97.4	Very high	19 Å²	19	85 Å²	85	10%	0.097	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.5	-177.1	-59.7	175	0	0	0	108.8	S2 V3 L5 I12 V16 V87	S2-I14 CarbonylContact C-O 3.55Å; S2-I14 WeakPolarHBondContact CA-O 3.47Å; S2-I14 WeakPolarHBondContact CB-O 3.4Å; V3-I14 PolarHBondContact N-O 3.15Å; V3-I14 PolarHBondContact O-N 3.36Å; L5-I14 HydrophobicContact CD1-CD1 3.52Å; L5-I14 HydrophobicContact CG-CD1 3.88Å; I12-I14 HydrophobicContact CG2-CG1 4.09Å; I14-V16 HydrophobicContact CG2-CG2 4.27Å; I14-V87 HydrophobicContact CD1-CG2 4.22Å; I14-V87 HydrophobicContact CG1-CG2 4.37Å; I14-V87 HydrophobicContact CG2-CB 4.42Å; I14-V87 HydrophobicContact CG2-CG2 4.02Å
15	E	97.6	Very high	97.3	Very high	133 Å²	133	82.4 Å²	82.4	62%	0.621	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	138.3	166.9	-173.8	173.3	-167	0	0	110.3	F17	E15-F17 HydrophobicContact CG-CE1 4.17Å
16	V	96.8	Very high	97.3	Very high	13 Å²	13	85.8 Å²	85.8	8%	0.079	44%	0.436	C	S	.	.			trans	-120.9	122.2	-172.8	-177.7	0	0	0	0	108.9	M1 V3 I14 C18 C25 F28	M1-V16 PolarHBondContact N-O 3.39Å; M1-V16 PolarHBondContact O-N 3.09Å; V3-V16 HydrophobicContact CG2-CG2 3.68Å; I14-V16 HydrophobicContact CG2-CG2 4.27Å; V16-C18 PolarHBondContact O-N 3.3Å; V16-C25 HydrophobicContact CG1-CB 3.64Å; V16-C25 WeakPolarHBondContact CG1-SG 3.39Å; V16-F28 HydrophobicContact CG2-CD1 4.01Å; V16-F28 HydrophobicContact CG2-CE1 3.98Å
17	F	96.4	Very high	97.3	Very high	103 Å²	103	78.9 Å²	78.9	45%	0.452	40%	0.404	S	S	.	.			trans	-89.8	65.8	-172.8	-58.1	-56.8	0	0	0	112.7	E15 E19 R20 T21 C25 L79	E15-F17 HydrophobicContact CG-CE1 4.17Å; F17-E19 PolarHBondContact O-N 3.33Å; F17-E19 VanDerWaalsContact O-N 3.08Å; F17-R20 PolarHBondContact O-N 2.98Å; F17-T21 PolarHBondContact O-N 3.43Å; F17-T21 VanDerWaalsContact O-N 3.08Å; F17-T21 PolarHBondContact O-OG1 2.82Å; F17-C25 VanDerWaalsContact C-SG 3.53Å; F17-L79 HydrophobicContact CD2-CD1 4.48Å; F17-L79 HydrophobicContact CD2-CD2 3.61Å; F17-L79 HydrophobicContact CE2-CD2 3.93Å; F17-L79 HydrophobicContact CG-CD2 4.27Å
18	C	95.1	Very high	97.2	Very high	31 Å²	31	79.1 Å²	79.1	21%	0.209	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.6	-176	-52.8	0	0	0	0	114.7	V16 R20 P22 C25	V16-C18 PolarHBondContact O-N 3.3Å; C18-R20 VanDerWaalsContact C-N 3.34Å; C18-P22 VanDerWaalsContact O-CA 3.32Å; C18-P22 WeakPolarHBondContact O-CA 3.48Å; C18-C25 WeakPolarHBondContact CA-SG 3.38Å; C18-C25 HydrophobicContact CB-CB 4.01Å; C18-C25 PolarHBondContact N-SG 3.36Å; C18-C25 VanDerWaalsContact N-SG 3.44Å; C18-C25 VanDerWaalsContact SG-CB 3.52Å
19	E	96.2	Very high	97.2	Very high	193 Å²	193	73 Å²	73	90%	0.902	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-29	178.7	-63.1	-176.2	170.1	0	0	113.2	F17	F17-E19 PolarHBondContact O-N 3.33Å; F17-E19 VanDerWaalsContact O-N 3.08Å
20	R	95.4	Very high	97.1	Very high	109 Å²	109	67.7 Å²	67.7	41%	0.411	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-31.8	-176.3	-65.4	-171.5	179.2	-81.3	4.8	112.9	F17 C18 P22 Y78 L79	F17-R20 PolarHBondContact O-N 2.98Å; C18-R20 VanDerWaalsContact C-N 3.34Å; R20-P22 VanDerWaalsContact C-CD 3.49Å; R20-Y78 VanDerWaalsContact CZ-CD2 3.48Å; R20-Y78 VanDerWaalsContact CZ-CG 3.46Å; R20-L79 HydrophobicContact CB-CD1 3.94Å
21	T	96.9	Very high	97.1	Very high	19 Å²	19	66.4 Å²	66.4	12%	0.117	33%	0.326	C	S	.	.	S	Bend	trans	-130	63.7	-178.1	58.7	0	0	0	0	110.7	F17 K23 T24 C25 E74 L79	F17-T21 PolarHBondContact O-N 3.43Å; F17-T21 VanDerWaalsContact O-N 3.08Å; F17-T21 PolarHBondContact O-OG1 2.82Å; T21-K23 PolarHBondContact O-N 2.89Å; T21-T24 PolarHBondContact O-N 2.82Å; T21-C25 WeakPolarHBondContact O-CB 3.35Å; T21-C25 PolarHBondContact O-N 3.03Å; T21-C25 PolarHBondContact O-SG 3.14Å; T21-C25 PolarHBondContact OG1-SG 2.76Å; T21-E74 VanDerWaalsContact CA-OE2 3.22Å; T21-E74 WeakPolarHBondContact CA-OE2 3.48Å; T21-E74 WeakPolarHBondContact CB-OE2 3.32Å; T21-E74 HydrophobicContact CG2-CB 3.89Å; T21-E74 WeakPolarHBondContact CG2-O 3.36Å; T21-L79 HydrophobicContact CG2-CD1 3.8Å
22	P	97.1	Very high	97.1	Very high	71 Å²	71	62.8 Å²	62.8	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-46.3	-169.5	22.5	-33.3	0	0	0	113.7	C18 R20 C25 E26 E74	C18-P22 VanDerWaalsContact O-CA 3.32Å; C18-P22 WeakPolarHBondContact O-CA 3.48Å; R20-P22 VanDerWaalsContact C-CD 3.49Å; P22-C25 PolarHBondContact O-N 3.27Å; P22-E26 WeakPolarHBondContact O-CB 3.27Å; P22-E26 PolarHBondContact O-N 3.14Å; P22-E74 WeakPolarHBondContact CD-OE1 3.34Å; P22-E74 WeakPolarHBondContact CG-OE1 3.4Å
23	K	96.8	Very high	97	Very high	93 Å²	93	63 Å²	63	40%	0.404	32%	0.323	S	S	.	.	H	α-helix	trans	-67.7	-40.5	-179.8	-73.4	-175.4	177.9	171.3	0	111.7	T21 C25 E26 N27 W67 F71 E72 E74	T21-K23 PolarHBondContact O-N 2.89Å; K23-C25 VanDerWaalsContact C-N 3.29Å; K23-C25 PolarHBondContact O-N 2.97Å; K23-E26 PolarHBondContact O-N 3.38Å; K23-N27 WeakPolarHBondContact O-CB 3.36Å; K23-N27 PolarHBondContact O-N 3.45Å; K23-W67 HydrophobicContact CB-CH2 4.31Å; K23-W67 WeakPolarHBondContact O-CH2 3.32Å; K23-F71 HydrophobicContact CB-CD2 4.38Å; K23-E72 IonicContact NZ-OE2 3.75Å; K23-E74 WeakPolarHBondContact CB-OE1 3.19Å; K23-E74 PolarHBondContact N-OE1 3.32Å; K23-E74 PolarHBondContact N-OE2 3.46Å
24	T	97.8	Very high	96.9	Very high	27 Å²	27	58.6 Å²	58.6	17%	0.166	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-42.9	177.7	-53.4	0	0	0	0	110.4	T21 F28 E74 M89	T21-T24 PolarHBondContact O-N 2.82Å; T24-F28 WeakPolarHBondContact O-CB 3.39Å; T24-F28 PolarHBondContact O-N 3.22Å; T24-E74 VanDerWaalsContact CB-OE2 3.29Å; T24-E74 WeakPolarHBondContact CB-OE2 3.38Å; T24-E74 PolarHBondContact N-OE2 2.93Å; T24-E74 PolarHBondContact OG1-OE2 2.9Å; T24-M89 HydrophobicContact CG2-CG 3.57Å; T24-M89 HydrophobicContact CG2-SD 4.22Å
25	C	96.9	Very high	96.8	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.034	33%	0.334	C	S	.	.	H	α-helix	trans	-69.4	-44	179	-63.4	0	0	0	0	112.1	V16 F17 C18 T21 P22 K23 N27 F28 L29	V16-C25 HydrophobicContact CG1-CB 3.64Å; V16-C25 WeakPolarHBondContact CG1-SG 3.39Å; F17-C25 VanDerWaalsContact C-SG 3.53Å; C18-C25 WeakPolarHBondContact CA-SG 3.38Å; C18-C25 HydrophobicContact CB-CB 4.01Å; C18-C25 PolarHBondContact N-SG 3.36Å; C18-C25 VanDerWaalsContact N-SG 3.44Å; C18-C25 VanDerWaalsContact SG-CB 3.52Å; T21-C25 WeakPolarHBondContact O-CB 3.35Å; T21-C25 PolarHBondContact O-N 3.03Å; T21-C25 PolarHBondContact O-SG 3.14Å; T21-C25 PolarHBondContact OG1-SG 2.76Å; P22-C25 PolarHBondContact O-N 3.27Å; K23-C25 VanDerWaalsContact C-N 3.29Å; K23-C25 PolarHBondContact O-N 2.97Å; C25-N27 PolarHBondContact O-N 3.17Å; C25-F28 PolarHBondContact O-N 3.49Å; C25-L29 WeakPolarHBondContact O-CB 3.22Å; C25-L29 VanDerWaalsContact O-CG 3.25Å; C25-L29 WeakPolarHBondContact O-CG 3.34Å; C25-L29 PolarHBondContact O-N 3.34Å
26	E	97.2	Very high	96.8	Very high	114 Å²	114	59.7 Å²	59.7	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-57.9	-49.2	175.3	-175	-175.9	168	0	0	110.8	P22 K23 F28 L29 A30 W67	P22-E26 WeakPolarHBondContact O-CB 3.27Å; P22-E26 PolarHBondContact O-N 3.14Å; K23-E26 PolarHBondContact O-N 3.38Å; E26-F28 PolarHBondContact O-N 3.22Å; E26-L29 PolarHBondContact O-N 2.9Å; E26-A30 WeakPolarHBondContact O-CB 3.24Å; E26-A30 PolarHBondContact O-N 3.26Å; E26-W67 HydrophobicContact CG-CZ2 4.35Å
27	N	97.6	Very high	96.9	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.011	32%	0.322	C	S	.	.	H	α-helix	trans	-57.5	-50	176.4	175.7	68	0	0	0	111.8	K23 C25 A30 L31 S65 I66 W67 F71	K23-N27 WeakPolarHBondContact O-CB 3.36Å; K23-N27 PolarHBondContact O-N 3.45Å; C25-N27 PolarHBondContact O-N 3.17Å; N27-A30 PolarHBondContact O-N 2.76Å; N27-L31 WeakPolarHBondContact O-CB 3.19Å; N27-L31 VanDerWaalsContact O-CG 3.26Å; N27-L31 WeakPolarHBondContact O-CG 3.29Å; N27-L31 PolarHBondContact O-N 3Å; N27-S65 WeakPolarHBondContact OD1-CA 3.21Å; N27-S65 WeakPolarHBondContact OD1-CB 3.5Å; N27-I66 PolarHBondContact OD1-N 2.66Å; N27-W67 HydrophobicContact CB-CH2 3.86Å; N27-W67 HydrophobicContact CB-CZ3 3.72Å; N27-F71 HydrophobicContact CB-CE1 4.05Å; N27-F71 HydrophobicContact CB-CZ 4.15Å
28	F	97.9	Very high	96.9	Very high	33 Å²	33	61.7 Å²	61.7	15%	0.145	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-48.7	-177.9	-178.6	-118.9	0	0	0	111.8	V3 V16 T24 C25 E26 A30 L31 C32 Y37	V3-F28 HydrophobicContact CG2-CD1 4.24Å; V3-F28 HydrophobicContact CG2-CE1 3.5Å; V3-F28 HydrophobicContact CG2-CZ 4.35Å; V16-F28 HydrophobicContact CG2-CD1 4.01Å; V16-F28 HydrophobicContact CG2-CE1 3.98Å; T24-F28 WeakPolarHBondContact O-CB 3.39Å; T24-F28 PolarHBondContact O-N 3.22Å; C25-F28 PolarHBondContact O-N 3.49Å; E26-F28 PolarHBondContact O-N 3.22Å; F28-A30 PolarHBondContact O-N 2.85Å; F28-L31 PolarHBondContact O-N 2.84Å; F28-C32 PolarHBondContact O-N 2.92Å; F28-C32 PolarHBondContact O-SG 3.23Å; F28-Y37 AromaticContact CD2-CE2 3.77Å; F28-Y37 HydrophobicContact CD2-CE2 3.77Å; F28-Y37 HydrophobicContact CE2-CD2 4.45Å; F28-Y37 AromaticContact CE2-CE2 3.81Å; F28-Y37 HydrophobicContact CE2-CE2 3.81Å
29	L	96.9	Very high	97	Very high	49 Å²	49	64 Å²	64	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-38.8	-179.5	-68	173.4	0	0	0	112.1	M1 V3 C25 E26 C32 A33	M1-L29 HydrophobicContact SD-CD1 4.02Å; V3-L29 HydrophobicContact CG1-CD2 4.14Å; V3-L29 HydrophobicContact CG2-CD2 4.16Å; C25-L29 WeakPolarHBondContact O-CB 3.22Å; C25-L29 VanDerWaalsContact O-CG 3.25Å; C25-L29 WeakPolarHBondContact O-CG 3.34Å; C25-L29 PolarHBondContact O-N 3.34Å; E26-L29 PolarHBondContact O-N 2.9Å; L29-C32 WeakPolarHBondContact O-CB 3.25Å; L29-C32 PolarHBondContact O-N 2.79Å; L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 2.93Å
30	A	97.2	Very high	97	Very high	31 Å²	31	55.9 Å²	55.9	26%	0.256	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-40.5	177	0	0	0	0	0	112.1	E26 N27 F28 A33 S34 I66	E26-A30 WeakPolarHBondContact O-CB 3.24Å; E26-A30 PolarHBondContact O-N 3.26Å; N27-A30 PolarHBondContact O-N 2.76Å; F28-A30 PolarHBondContact O-N 2.85Å; A30-A33 PolarHBondContact O-N 3.02Å; A30-S34 WeakPolarHBondContact O-CB 3.18Å; A30-S34 PolarHBondContact O-N 3.25Å; A30-S34 PolarHBondContact O-OG 2.82Å; A30-I66 HydrophobicContact CB-CB 4.13Å; A30-I66 HydrophobicContact CB-CD1 4.05Å; A30-I66 HydrophobicContact CB-CG1 3.77Å; A30-I66 HydrophobicContact CB-CG2 4.33Å
31	L	97.4	Very high	97.1	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-68	-37.9	174.4	-68.3	173.5	0	0	0	112	N27 F28 S34 Y36 Y37 I66	N27-L31 WeakPolarHBondContact O-CB 3.19Å; N27-L31 VanDerWaalsContact O-CG 3.26Å; N27-L31 WeakPolarHBondContact O-CG 3.29Å; N27-L31 PolarHBondContact O-N 3Å; F28-L31 PolarHBondContact O-N 2.84Å; L31-S34 PolarHBondContact O-N 3.08Å; L31-S34 PolarHBondContact O-OG 3.25Å; L31-Y36 HydrophobicContact CB-CD1 4.33Å; L31-Y36 HydrophobicContact CB-CG 4.36Å; L31-Y36 HydrophobicContact CD1-CD1 4.37Å; L31-Y36 HydrophobicContact CD2-CD1 3.91Å; L31-Y36 HydrophobicContact CD2-CD2 3.94Å; L31-Y36 HydrophobicContact CD2-CE1 4.4Å; L31-Y36 HydrophobicContact CD2-CE2 4.42Å; L31-Y36 HydrophobicContact CD2-CG 3.65Å; L31-Y36 HydrophobicContact CG-CD1 4.43Å; L31-Y36 HydrophobicContact CG-CG 4.49Å; L31-Y36 VanDerWaalsContact O-CB 3.22Å; L31-Y36 WeakPolarHBondContact O-CB 3.33Å; L31-Y36 PolarHBondContact O-N 3.08Å; L31-Y37 HydrophobicContact CB-CD2 4.23Å; L31-Y37 HydrophobicContact CB-CE2 3.51Å; L31-Y37 HydrophobicContact CD1-CE2 4.46Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.26Å; L31-I66 HydrophobicContact CD2-CB 4.36Å; L31-I66 HydrophobicContact CD2-CD1 4.16Å; L31-I66 HydrophobicContact CG-CB 4.49Å
32	C	96.9	Very high	97.1	Very high	31 Å²	31	57.7 Å²	57.7	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-47.2	171.3	-71.2	0	0	0	0	111.5	F28 L29 S34 N35	F28-C32 PolarHBondContact O-N 2.92Å; F28-C32 PolarHBondContact O-SG 3.23Å; L29-C32 WeakPolarHBondContact O-CB 3.25Å; L29-C32 PolarHBondContact O-N 2.79Å; C32-S34 VanDerWaalsContact C-N 3.3Å; C32-S34 PolarHBondContact O-N 3.25Å; C32-N35 PolarHBondContact O-N 3.02Å
33	A	96.1	Very high	97.1	Very high	85 Å²	85	56.8 Å²	56.8	70%	0.702	33%	0.328	S	S	*	.	H	α-helix	trans	-67.6	-28.2	-178.1	0	0	0	0	0	113.4	L29 A30 N35	L29-A33 WeakPolarHBondContact O-CB 3.36Å; L29-A33 PolarHBondContact O-N 2.93Å; A30-A33 PolarHBondContact O-N 3.02Å; A33-N35 VanDerWaalsContact C-N 3.27Å; A33-N35 PolarHBondContact O-N 3.11Å
34	S	96.4	Very high	97.2	Very high	64 Å²	64	57.9 Å²	57.9	45%	0.448	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	9.2	177.2	66.3	0	0	0	0	114.1	A30 L31 C32 Y36	A30-S34 WeakPolarHBondContact O-CB 3.18Å; A30-S34 PolarHBondContact O-N 3.25Å; A30-S34 PolarHBondContact O-OG 2.82Å; L31-S34 PolarHBondContact O-N 3.08Å; L31-S34 PolarHBondContact O-OG 3.25Å; C32-S34 VanDerWaalsContact C-N 3.3Å; C32-S34 PolarHBondContact O-N 3.25Å; S34-Y36 PolarHBondContact O-N 3.19Å
35	N	97.2	Very high	97.1	Very high	104 Å²	104	62.5 Å²	62.5	56%	0.556	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	19.2	-176	-61.7	-58.1	0	0	0	114	C32 A33 Y37 N38	C32-N35 PolarHBondContact O-N 3.02Å; A33-N35 VanDerWaalsContact C-N 3.27Å; A33-N35 PolarHBondContact O-N 3.11Å; N35-Y37 VanDerWaalsContact C-N 3.25Å; N35-Y37 PolarHBondContact O-N 3.47Å; N35-N38 HydrophobicContact CB-CB 4.42Å; N35-N38 WeakPolarHBondContact CB-ND2 3.22Å; N35-N38 WeakPolarHBondContact O-CB 3.46Å; N35-N38 PolarHBondContact O-N 2.93Å; N35-N38 VanDerWaalsContact O-N 3.08Å; N35-N38 PolarHBondContact OD1-ND2 3.36Å
36	Y	97.4	Very high	97.2	Very high	71 Å²	71	65.4 Å²	65.4	28%	0.278	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.5	-175.2	-173.9	-97.3	0	0	0	113	L31 S34 N38 P56 G63 S64	L31-Y36 HydrophobicContact CB-CD1 4.33Å; L31-Y36 HydrophobicContact CB-CG 4.36Å; L31-Y36 HydrophobicContact CD1-CD1 4.37Å; L31-Y36 HydrophobicContact CD2-CD1 3.91Å; L31-Y36 HydrophobicContact CD2-CD2 3.94Å; L31-Y36 HydrophobicContact CD2-CE1 4.4Å; L31-Y36 HydrophobicContact CD2-CE2 4.42Å; L31-Y36 HydrophobicContact CD2-CG 3.65Å; L31-Y36 HydrophobicContact CG-CD1 4.43Å; L31-Y36 HydrophobicContact CG-CG 4.49Å; L31-Y36 VanDerWaalsContact O-CB 3.22Å; L31-Y36 WeakPolarHBondContact O-CB 3.33Å; L31-Y36 PolarHBondContact O-N 3.08Å; S34-Y36 PolarHBondContact O-N 3.19Å; Y36-N38 VanDerWaalsContact C-N 3.35Å; Y36-P56 HydrophobicContact CD1-CG 4.16Å; Y36-P56 HydrophobicContact CE1-CG 3.49Å; Y36-P56 VanDerWaalsContact CE1-CG 3.49Å; Y36-P56 HydrophobicContact CE2-CG 4Å; Y36-P56 VanDerWaalsContact CZ-CG 3.41Å; Y36-G63 WeakPolarHBondContact OH-CA 3.49Å; Y36-S64 PolarHBondContact OH-N 2.96Å
37	Y	97.8	Very high	97.2	Very high	44 Å²	44	69.9 Å²	69.9	17%	0.173	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.6	-179.2	-60.3	-56.6	0	0	0	113.9	F28 L31 N35 G39 C40	F28-Y37 AromaticContact CD2-CE2 3.77Å; F28-Y37 HydrophobicContact CD2-CE2 3.77Å; F28-Y37 HydrophobicContact CE2-CD2 4.45Å; F28-Y37 AromaticContact CE2-CE2 3.81Å; F28-Y37 HydrophobicContact CE2-CE2 3.81Å; L31-Y37 HydrophobicContact CB-CD2 4.23Å; L31-Y37 HydrophobicContact CB-CE2 3.51Å; L31-Y37 HydrophobicContact CD1-CE2 4.46Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.26Å; N35-Y37 VanDerWaalsContact C-N 3.25Å; N35-Y37 PolarHBondContact O-N 3.47Å; Y37-G39 PolarHBondContact O-N 2.89Å; Y37-C40 VanDerWaalsContact O-CB 3.27Å; Y37-C40 WeakPolarHBondContact O-CB 3.38Å; Y37-C40 PolarHBondContact O-N 3.5Å
38	N	97.3	Very high	97	Very high	113 Å²	113	74 Å²	74	60%	0.604	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	125.4	-178.4	-67.2	3.4	0	0	0	109.7	N35 Y36 C40	N35-N38 HydrophobicContact CB-CB 4.42Å; N35-N38 WeakPolarHBondContact CB-ND2 3.22Å; N35-N38 WeakPolarHBondContact O-CB 3.46Å; N35-N38 PolarHBondContact O-N 2.93Å; N35-N38 VanDerWaalsContact O-N 3.08Å; N35-N38 PolarHBondContact OD1-ND2 3.36Å; Y36-N38 VanDerWaalsContact C-N 3.35Å; N38-C40 VanDerWaalsContact C-N 3.28Å; N38-C40 PolarHBondContact O-N 2.88Å
39	G	95.8	Very high	97	Very high	80 Å²	80	79.8 Å²	79.8	83%	0.825	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	0.4	-175.2	0	0	0	0	0	114.8	Y37 V41	Y37-G39 PolarHBondContact O-N 2.89Å; G39-V41 PolarHBondContact O-N 3.39Å
40	C	97.3	Very high	97	Very high	22 Å²	22	80 Å²	80	15%	0.149	45%	0.454	C	S	.	.			trans	-66.5	130.5	171.9	-76.3	0	0	0	0	110.9	Y37 N38	Y37-C40 VanDerWaalsContact O-CB 3.27Å; Y37-C40 WeakPolarHBondContact O-CB 3.38Å; Y37-C40 PolarHBondContact O-N 3.5Å; N38-C40 VanDerWaalsContact C-N 3.28Å; N38-C40 PolarHBondContact O-N 2.88Å
41	V	97.3	Very high	97.1	Very high	85 Å²	85	82 Å²	82	52%	0.515	46%	0.463	S	S	.	.			trans	-90.9	153.1	176.6	-60.9	0	0	0	0	111.8	G39 H43 T53	G39-V41 PolarHBondContact O-N 3.39Å; V41-H43 VanDerWaalsContact C-N 3.29Å; V41-H43 HydrophobicContact CG2-CB 4.29Å; V41-H43 PolarHBondContact O-N 3.24Å; V41-T53 PolarHBondContact O-OG1 3.47Å
42	F	97.9	Very high	97.1	Very high	81 Å²	81	83.9 Å²	83.9	36%	0.355	47%	0.472	S	S	.	.			trans	-76.1	81.4	166.9	-67.9	-86.8	0	0	0	110.1	T7 R44 V51 Q52 T53	T7-F42 HydrophobicContact CG2-CE2 3.91Å; T7-F42 HydrophobicContact CG2-CZ 4.13Å; F42-R44 VanDerWaalsContact C-N 3.29Å; F42-R44 PolarHBondContact O-N 3.39Å; F42-V51 HydrophobicContact CB-CG2 3.84Å; F42-V51 HydrophobicContact CD1-CB 4.39Å; F42-V51 HydrophobicContact CD1-CG1 4.04Å; F42-V51 HydrophobicContact CD1-CG2 3.5Å; F42-V51 HydrophobicContact CE1-CG1 4.14Å; F42-V51 HydrophobicContact CE1-CG2 4.4Å; F42-V51 HydrophobicContact CG-CG2 4Å; F42-Q52 CarbonylContact C-O 3.49Å; F42-Q52 WeakPolarHBondContact CA-O 3.32Å; F42-T53 HydrophobicContact CD1-CG2 3.94Å; F42-T53 HydrophobicContact CE1-CG2 3.62Å; F42-T53 HydrophobicContact CZ-CG2 4.25Å
43	H	96.8	Very high	97.2	Very high	53 Å²	53	85 Å²	85	25%	0.245	48%	0.478	C	S	.	.			trans	-71.4	-17.6	-171.5	60.5	-87.6	0	0	0	114.5	V41 Q52 G58 G60	V41-H43 VanDerWaalsContact C-N 3.29Å; V41-H43 HydrophobicContact CG2-CB 4.29Å; V41-H43 PolarHBondContact O-N 3.24Å; H43-Q52 PolarHBondContact N-O 3.04Å; H43-G58 WeakPolarHBondContact CB-O 3.48Å; H43-G60 WeakPolarHBondContact NE2-CA 3.39Å
44	R	97.3	Very high	97.2	Very high	115 Å²	115	82 Å²	82	43%	0.434	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	114.6	177.8	-168.5	-176.9	173.7	-132.3	1.5	110.9	F42 I46 M50 V51 Q52	F42-R44 VanDerWaalsContact C-N 3.29Å; F42-R44 PolarHBondContact O-N 3.39Å; R44-I46 HydrophobicContact CG-CG1 4.47Å; R44-M50 HydrophobicContact CB-CE 4.36Å; R44-M50 HydrophobicContact CG-CE 3.81Å; R44-V51 CarbonylContact O-C 3.52Å; R44-V51 WeakPolarHBondContact O-CA 3.43Å; R44-Q52 HydrophobicContact CB-CB 4.07Å; R44-Q52 PolarHBondContact O-N 3.47Å
45	N	97.5	Very high	97.2	Very high	124 Å²	124	79.1 Å²	79.1	66%	0.663	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.1	-179.5	-175.7	8.9	0	0	0	110.3	V51	N45-V51 HydrophobicContact CB-CG2 3.98Å
46	I	97.3	Very high	97.1	Very high	67 Å²	67	77.4 Å²	77.4	34%	0.344	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	106.2	179.9	-55.9	179.2	0	0	0	108.5	R44 G48 F49 M50	R44-I46 HydrophobicContact CG-CG1 4.47Å; I46-G48 PolarHBondContact O-N 2.7Å; I46-F49 HydrophobicContact CB-CB 4.15Å; I46-F49 HydrophobicContact CB-CD1 4.4Å; I46-F49 HydrophobicContact CD1-CD1 4.28Å; I46-F49 HydrophobicContact CG2-CB 3.85Å; I46-F49 HydrophobicContact CG2-CD1 4.44Å; I46-F49 PolarHBondContact O-N 3.04Å; I46-M50 HydrophobicContact CB-CE 4.22Å; I46-M50 HydrophobicContact CD1-CE 3.87Å; I46-M50 HydrophobicContact CG1-CE 3.82Å; I46-M50 PolarHBondContact N-O 3.34Å; I46-M50 PolarHBondContact O-N 3.15Å; I46-M50 VanDerWaalsContact O-N 3.15Å
47	K	97.4	Very high	97	Very high	207 Å²	207	78.2 Å²	78.2	90%	0.9	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	131.2	-179.9	-173.9	178.6	179.4	-178.5	0	110.8	F49	K47-F49 PolarHBondContact O-N 3.18Å
48	G	94.4	Very high	96.8	Very high	88 Å²	88	77.5 Å²	77.5	91%	0.907	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-4.5	-178.5	0	0	0	0	0	114.6	I46	I46-G48 PolarHBondContact O-N 2.7Å
49	F	97.1	Very high	96.6	Very high	156 Å²	156	76.6 Å²	76.6	68%	0.684	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	-80.6	178.8	-174.5	-131.9	0	0	0	111.8	I46 K47	I46-F49 HydrophobicContact CB-CB 4.15Å; I46-F49 HydrophobicContact CB-CD1 4.4Å; I46-F49 HydrophobicContact CD1-CD1 4.28Å; I46-F49 HydrophobicContact CG2-CB 3.85Å; I46-F49 HydrophobicContact CG2-CD1 4.44Å; I46-F49 PolarHBondContact O-N 3.04Å; K47-F49 PolarHBondContact O-N 3.18Å
50	M	97.8	Very high	96.5	Very high	53 Å²	53	74.5 Å²	74.5	26%	0.261	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	168.3	-175.5	66.8	83.5	-124.5	0	0	112.6	R44 I46 Q52	R44-M50 HydrophobicContact CB-CE 4.36Å; R44-M50 HydrophobicContact CG-CE 3.81Å; I46-M50 HydrophobicContact CB-CE 4.22Å; I46-M50 HydrophobicContact CD1-CE 3.87Å; I46-M50 HydrophobicContact CG1-CE 3.82Å; I46-M50 PolarHBondContact N-O 3.34Å; I46-M50 PolarHBondContact O-N 3.15Å; I46-M50 VanDerWaalsContact O-N 3.15Å; M50-Q52 HydrophobicContact CE-CB 4.34Å; M50-Q52 HydrophobicContact SD-CB 3.88Å
51	V	98.1	Very high	96.2	Very high	73 Å²	73	84.7 Å²	84.7	44%	0.442	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.2	166.3	72.3	0	0	0	0	108.6	F42 R44 N45	F42-V51 HydrophobicContact CB-CG2 3.84Å; F42-V51 HydrophobicContact CD1-CB 4.39Å; F42-V51 HydrophobicContact CD1-CG1 4.04Å; F42-V51 HydrophobicContact CD1-CG2 3.5Å; F42-V51 HydrophobicContact CE1-CG1 4.14Å; F42-V51 HydrophobicContact CE1-CG2 4.4Å; F42-V51 HydrophobicContact CG-CG2 4Å; R44-V51 CarbonylContact O-C 3.52Å; R44-V51 WeakPolarHBondContact O-CA 3.43Å; N45-V51 HydrophobicContact CB-CG2 3.98Å
52	Q	98.2	Very high	96	Very high	45 Å²	45	82.3 Å²	82.3	21%	0.21	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137.5	-176.2	-163.9	176.1	-15.9	0	0	110.4	F42 H43 R44 M50 A90	F42-Q52 CarbonylContact C-O 3.49Å; F42-Q52 WeakPolarHBondContact CA-O 3.32Å; H43-Q52 PolarHBondContact N-O 3.04Å; R44-Q52 HydrophobicContact CB-CB 4.07Å; R44-Q52 PolarHBondContact O-N 3.47Å; M50-Q52 HydrophobicContact CE-CB 4.34Å; M50-Q52 HydrophobicContact SD-CB 3.88Å; Q52-A90 HydrophobicContact CG-CB 4.38Å
53	T	98.1	Very high	95.8	Very high	55 Å²	55	80.5 Å²	80.5	34%	0.337	46%	0.457	S	S	.	.			trans	-145.5	-172.4	177.5	-170.9	0	0	0	0	109.2	V41 F42	V41-T53 PolarHBondContact O-OG1 3.47Å; F42-T53 HydrophobicContact CD1-CG2 3.94Å; F42-T53 HydrophobicContact CE1-CG2 3.62Å; F42-T53 HydrophobicContact CZ-CG2 4.25Å
54	G	96.5	Very high	95.6	Very high	21 Å²	21	80.6 Å²	80.6	22%	0.216	46%	0.463	C	S	.	.			trans	95.4	9.5	174.5	0	0	0	0	0	114.9
55	D	96.8	Very high	95.6	Very high	4 Å²	4	75.8 Å²	75.8	2%	0.021	45%	0.447	C	S	.	.			trans	-105.9	109.8	171.5	-178.9	-2.9	0	0	0	109.9	T57 G58 T59 G60 R61 G62	D55-T57 PolarHBondContact O-N 3.08Å; D55-T57 VanDerWaalsContact O-N 3.17Å; D55-T57 WeakPolarHBondContact OD1-CB 3.45Å; D55-T57 PolarHBondContact OD1-N 3.25Å; D55-T57 PolarHBondContact OD1-OG1 3.08Å; D55-T57 PolarHBondContact OD2-OG1 3.33Å; D55-G58 PolarHBondContact O-N 3.02Å; D55-T59 PolarHBondContact OD2-N 2.79Å; D55-T59 PolarHBondContact OD2-OG1 3.44Å; D55-G60 WeakPolarHBondContact OD2-CA 3.22Å; D55-G60 PolarHBondContact OD2-N 3.37Å; D55-R61 PolarHBondContact OD2-N 2.94Å; D55-R61 VanDerWaalsContact OD2-N 3.14Å; D55-G62 VanDerWaalsContact OD1-CA 3.24Å; D55-G62 WeakPolarHBondContact OD1-CA 3.46Å; D55-G62 PolarHBondContact OD2-N 2.98Å
56	P	94.6	Very high	95.5	Very high	68 Å²	68	73.4 Å²	73.4	44%	0.442	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.3	177.3	-24.7	34.3	0	0	0	114.4	Y36	Y36-P56 HydrophobicContact CD1-CG 4.16Å; Y36-P56 HydrophobicContact CE1-CG 3.49Å; Y36-P56 VanDerWaalsContact CE1-CG 3.49Å; Y36-P56 HydrophobicContact CE2-CG 4Å; Y36-P56 VanDerWaalsContact CZ-CG 3.41Å
57	T	95.1	Very high	95.4	Very high	89 Å²	89	74.5 Å²	74.5	55%	0.546	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.2	176.1	73	0	0	0	0	112.5	D55 T59	D55-T57 PolarHBondContact O-N 3.08Å; D55-T57 VanDerWaalsContact O-N 3.17Å; D55-T57 WeakPolarHBondContact OD1-CB 3.45Å; D55-T57 PolarHBondContact OD1-N 3.25Å; D55-T57 PolarHBondContact OD1-OG1 3.08Å; D55-T57 PolarHBondContact OD2-OG1 3.33Å; T57-T59 PolarHBondContact O-N 3.2Å; T57-T59 PolarHBondContact OG1-N 2.89Å; T57-T59 PolarHBondContact OG1-OG1 2.69Å
58	G	93.4	Very high	95.2	Very high	29 Å²	29	68.6 Å²	68.6	30%	0.299	42%	0.423	S	S	.	.	S	Bend	trans	68.3	7.9	-176.1	0	0	0	0	0	115	H43 D55	H43-G58 WeakPolarHBondContact CB-O 3.48Å; D55-G58 PolarHBondContact O-N 3.02Å
59	T	94.1	Very high	95.1	Very high	94 Å²	94	71.3 Å²	71.3	58%	0.577	41%	0.41	S	S	*	.	S	Bend	trans	-88.4	-18	-175.4	64.5	0	0	0	0	113.7	D55 T57 R61	D55-T59 PolarHBondContact OD2-N 2.79Å; D55-T59 PolarHBondContact OD2-OG1 3.44Å; T57-T59 PolarHBondContact O-N 3.2Å; T57-T59 PolarHBondContact OG1-N 2.89Å; T57-T59 PolarHBondContact OG1-OG1 2.69Å; T59-R61 VanDerWaalsContact C-N 3.31Å; T59-R61 PolarHBondContact OG1-N 3.45Å
60	G	92.9	Very high	95	Very high	35 Å²	35	73.6 Å²	73.6	36%	0.361	42%	0.42	S	S	.	.	S	Bend	trans	80.9	8.3	-172.7	0	0	0	0	0	114	H43 D55	H43-G60 WeakPolarHBondContact NE2-CA 3.39Å; D55-G60 WeakPolarHBondContact OD2-CA 3.22Å; D55-G60 PolarHBondContact OD2-N 3.37Å
61	R	92.5	Very high	94.9	Very high	237 Å²	237	73.7 Å²	73.7	89%	0.894	42%	0.419	S	S	*	.	S	Bend	trans	-123.3	-10.4	178.8	-58.9	-175.1	-174.6	-147.3	1.4	113.1	D55 T59	D55-R61 PolarHBondContact OD2-N 2.94Å; D55-R61 VanDerWaalsContact OD2-N 3.14Å; T59-R61 VanDerWaalsContact C-N 3.31Å; T59-R61 PolarHBondContact OG1-N 3.45Å
62	G	92.8	Very high	94.8	Very high	35 Å²	35	76.8 Å²	76.8	36%	0.361	43%	0.429	S	S	.	.			trans	-88	-162.4	175.7	0	0	0	0	0	112	D55	D55-G62 VanDerWaalsContact OD1-CA 3.24Å; D55-G62 WeakPolarHBondContact OD1-CA 3.46Å; D55-G62 PolarHBondContact OD2-N 2.98Å
63	G	92.3	Very high	94.8	Very high	43 Å²	43	80.1 Å²	80.1	44%	0.443	45%	0.448	S	S	.	.			trans	89.6	140.4	-172.7	0	0	0	0	0	112.3	Y36	Y36-G63 WeakPolarHBondContact OH-CA 3.49Å
64	S	94.4	Very high	94.7	Very high	54 Å²	54	79.6 Å²	79.6	38%	0.378	44%	0.442	S	S	.	.			trans	-142.5	157.8	169.3	-161.4	0	0	0	0	109.7	Y36 A68	Y36-S64 PolarHBondContact OH-N 2.96Å; S64-A68 WeakPolarHBondContact OG-CA 3.14Å
65	S	96.1	Very high	94.7	Very high	15 Å²	15	87.8 Å²	87.8	11%	0.105	47%	0.467	C	S	.	.			trans	-68.8	168.5	173.7	76.3	0	0	0	0	110.9	N27 W67 A68 K69	N27-S65 WeakPolarHBondContact OD1-CA 3.21Å; N27-S65 WeakPolarHBondContact OD1-CB 3.5Å; S65-W67 PolarHBondContact O-N 2.9Å; S65-W67 VanDerWaalsContact O-N 3.1Å; S65-W67 PolarHBondContact OG-N 3.46Å; S65-W67 VanDerWaalsContact OG-N 3.13Å; S65-A68 PolarHBondContact O-N 3.38Å; S65-A68 PolarHBondContact OG-N 2.89Å; S65-K69 WeakPolarHBondContact CB-O 3.41Å; S65-K69 PolarHBondContact OG-N 3.45Å; S65-K69 PolarHBondContact OG-O 3.5Å
66	I	96.2	Very high	94.7	Very high	73 Å²	73	89.1 Å²	89.1	37%	0.374	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.3	171.4	-164.1	66.9	0	0	0	112.7	N27 A30 L31 A68	N27-I66 PolarHBondContact OD1-N 2.66Å; A30-I66 HydrophobicContact CB-CB 4.13Å; A30-I66 HydrophobicContact CB-CD1 4.05Å; A30-I66 HydrophobicContact CB-CG1 3.77Å; A30-I66 HydrophobicContact CB-CG2 4.33Å; L31-I66 HydrophobicContact CD2-CB 4.36Å; L31-I66 HydrophobicContact CD2-CD1 4.16Å; L31-I66 HydrophobicContact CG-CB 4.49Å; I66-A68 VanDerWaalsContact C-N 3.35Å
67	W	95.1	Very high	94.8	Very high	91 Å²	91	92.7 Å²	92.7	35%	0.345	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	7.7	178.2	-51.7	-70.2	0	0	0	113.8	K23 E26 N27 S65 K69 F71	K23-W67 HydrophobicContact CB-CH2 4.31Å; K23-W67 WeakPolarHBondContact O-CH2 3.32Å; E26-W67 HydrophobicContact CG-CZ2 4.35Å; N27-W67 HydrophobicContact CB-CH2 3.86Å; N27-W67 HydrophobicContact CB-CZ3 3.72Å; S65-W67 PolarHBondContact O-N 2.9Å; S65-W67 VanDerWaalsContact O-N 3.1Å; S65-W67 PolarHBondContact OG-N 3.46Å; S65-W67 VanDerWaalsContact OG-N 3.13Å; W67-K69 HydrophobicContact CB-CG 4.08Å; W67-K69 PolarHBondContact O-N 3.43Å; W67-F71 HydrophobicContact CE3-CB 4.26Å; W67-F71 HydrophobicContact CE3-CD1 4.12Å; W67-F71 HydrophobicContact CE3-CG 4.37Å; W67-F71 HydrophobicContact CZ3-CB 4.05Å; W67-F71 AromaticContact CZ3-CD1 3.75Å; W67-F71 HydrophobicContact CZ3-CD1 3.75Å; W67-F71 HydrophobicContact CZ3-CD2 4.44Å; W67-F71 HydrophobicContact CZ3-CE1 4.32Å; W67-F71 AromaticContact CZ3-CG 3.83Å; W67-F71 HydrophobicContact CZ3-CG 3.83Å
68	A	92.2	Very high	94.8	Very high	83 Å²	83	95.5 Å²	95.5	69%	0.686	49%	0.489	S	S	*	.	S	Bend	trans	56.6	17.7	-176.8	0	0	0	0	0	115	S64 S65 I66	S64-A68 WeakPolarHBondContact OG-CA 3.14Å; S65-A68 PolarHBondContact O-N 3.38Å; S65-A68 PolarHBondContact OG-N 2.89Å; I66-A68 VanDerWaalsContact C-N 3.35Å
69	K	93.6	Very high	95	Very high	145 Å²	145	97 Å²	97	63%	0.63	49%	0.49	S	S	*	.	S	Bend	trans	-142.8	156.4	178.7	65.6	-176.2	179.2	179.1	0	110.9	S65 W67	S65-K69 WeakPolarHBondContact CB-O 3.41Å; S65-K69 PolarHBondContact OG-N 3.45Å; S65-K69 PolarHBondContact OG-O 3.5Å; W67-K69 HydrophobicContact CB-CG 4.08Å; W67-K69 PolarHBondContact O-N 3.43Å
70	K	93.6	Very high	95.2	Very high	204 Å²	204	98.8 Å²	98.8	89%	0.887	49%	0.49	S	S	*	.			trans	-63.8	147.3	171.5	-62.9	-169.6	177.9	-169.8	0	110.1
71	F	96.3	Very high	95.4	Very high	54 Å²	54	104 Å²	104	24%	0.237	51%	0.505	C	S	.	.			trans	-118.5	166	174.8	63.5	-85.8	0	0	0	109.7	K23 N27 W67 M89	K23-F71 HydrophobicContact CB-CD2 4.38Å; N27-F71 HydrophobicContact CB-CE1 4.05Å; N27-F71 HydrophobicContact CB-CZ 4.15Å; W67-F71 HydrophobicContact CE3-CB 4.26Å; W67-F71 HydrophobicContact CE3-CD1 4.12Å; W67-F71 HydrophobicContact CE3-CG 4.37Å; W67-F71 HydrophobicContact CZ3-CB 4.05Å; W67-F71 AromaticContact CZ3-CD1 3.75Å; W67-F71 HydrophobicContact CZ3-CD1 3.75Å; W67-F71 HydrophobicContact CZ3-CD2 4.44Å; W67-F71 HydrophobicContact CZ3-CE1 4.32Å; W67-F71 AromaticContact CZ3-CG 3.83Å; W67-F71 HydrophobicContact CZ3-CG 3.83Å; F71-M89 HydrophobicContact CZ-CE 4.35Å
72	E	96.7	Very high	95.6	Very high	139 Å²	139	98.6 Å²	98.6	65%	0.65	49%	0.493	S	S	*	.			trans	-72.3	151.6	-175.4	-65.9	163	-178.8	0	0	112.1	K23	K23-E72 IonicContact NZ-OE2 3.75Å
73	D	96.9	Very high	95.8	Very high	114 Å²	114	101.7 Å²	101.7	61%	0.61	51%	0.505	S	S	*	.			trans	-70.9	143.3	174.9	-61.3	-41.5	0	0	0	111.8	Y75	D73-Y75 HydrophobicContact CB-CD2 4.01Å; D73-Y75 HydrophobicContact CB-CE1 4.24Å; D73-Y75 HydrophobicContact CB-CE2 3.31Å; D73-Y75 VanDerWaalsContact CB-CZ 3.45Å; D73-Y75 VanDerWaalsContact CG-OH 3.23Å; D73-Y75 PolarHBondContact OD2-OH 2.54Å
74	E	96.7	Very high	96	Very high	45 Å²	45	111.6 Å²	111.6	21%	0.21	53%	0.529	C	S	.	.			trans	-116	87.9	176.6	-67.4	176.7	131.2	0	0	110.3	T21 P22 K23 T24	T21-E74 VanDerWaalsContact CA-OE2 3.22Å; T21-E74 WeakPolarHBondContact CA-OE2 3.48Å; T21-E74 WeakPolarHBondContact CB-OE2 3.32Å; T21-E74 HydrophobicContact CG2-CB 3.89Å; T21-E74 WeakPolarHBondContact CG2-O 3.36Å; P22-E74 WeakPolarHBondContact CD-OE1 3.34Å; P22-E74 WeakPolarHBondContact CG-OE1 3.4Å; K23-E74 WeakPolarHBondContact CB-OE1 3.19Å; K23-E74 PolarHBondContact N-OE1 3.32Å; K23-E74 PolarHBondContact N-OE2 3.46Å; T24-E74 VanDerWaalsContact CB-OE2 3.29Å; T24-E74 WeakPolarHBondContact CB-OE2 3.38Å; T24-E74 PolarHBondContact N-OE2 2.93Å; T24-E74 PolarHBondContact OG1-OE2 2.9Å
75	Y	97	Very high	96.1	Very high	192 Å²	192	112.2 Å²	112.2	75%	0.753	54%	0.544	S	S	*	.			trans	-82.1	145.3	178.4	-58.3	-70.1	0	0	0	111.9	D73	D73-Y75 HydrophobicContact CB-CD2 4.01Å; D73-Y75 HydrophobicContact CB-CE1 4.24Å; D73-Y75 HydrophobicContact CB-CE2 3.31Å; D73-Y75 VanDerWaalsContact CB-CZ 3.45Å; D73-Y75 VanDerWaalsContact CG-OH 3.23Å; D73-Y75 PolarHBondContact OD2-OH 2.54Å
76	S	96.4	Very high	96.2	Very high	32 Å²	32	114.3 Å²	114.3	22%	0.224	56%	0.556	C	S	.	*			trans	-142.5	136.1	173.5	-170.3	0	0	0	0	110.5	Y78 L79	S76-Y78 PolarHBondContact O-N 3.48Å; S76-Y78 VanDerWaalsContact O-N 3.11Å; S76-L79 PolarHBondContact O-N 3.42Å; S76-L79 VanDerWaalsContact O-N 3.08Å
77	E	96.6	Very high	96.3	Very high	144 Å²	144	115 Å²	115	67%	0.673	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-20.2	177	64.9	-177.6	-177.8	0	0	113.6	K80	E77-K80 WeakPolarHBondContact O-CE 3.17Å
78	Y	96.3	Very high	96.4	Very high	148 Å²	148	114 Å²	114	58%	0.58	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-16.3	179.2	-59.8	-90.9	0	0	0	113.2	R20 S76	R20-Y78 VanDerWaalsContact CZ-CD2 3.48Å; R20-Y78 VanDerWaalsContact CZ-CG 3.46Å; S76-Y78 PolarHBondContact O-N 3.48Å; S76-Y78 VanDerWaalsContact O-N 3.11Å
79	L	96.6	Very high	96.6	Very high	60 Å²	60	115 Å²	115	31%	0.314	56%	0.562	S	S	.	*			trans	-108.6	108.1	-176.6	-61.1	-180	0	0	0	109.3	F17 R20 T21 S76	F17-L79 HydrophobicContact CD2-CD1 4.48Å; F17-L79 HydrophobicContact CD2-CD2 3.61Å; F17-L79 HydrophobicContact CE2-CD2 3.93Å; F17-L79 HydrophobicContact CG-CD2 4.27Å; R20-L79 HydrophobicContact CB-CD1 3.94Å; T21-L79 HydrophobicContact CG2-CD1 3.8Å; S76-L79 PolarHBondContact O-N 3.42Å; S76-L79 VanDerWaalsContact O-N 3.08Å
80	K	97.4	Very high	96.6	Very high	132 Å²	132	114.5 Å²	114.5	57%	0.574	59%	0.585	S	S	*	*			trans	-134.5	149.9	-178	-64.5	-179.8	-179.7	169.8	0	110.3	E77 N82	E77-K80 WeakPolarHBondContact O-CE 3.17Å; K80-N82 HydrophobicContact CB-CB 4.3Å; K80-N82 PolarHBondContact O-N 3.1Å; K80-N82 PolarHBondContact O-OD1 2.97Å; K80-N82 VanDerWaalsContact O-OD1 3.14Å
81	H	97.3	Very high	96.7	Very high	145 Å²	145	110.1 Å²	110.1	67%	0.671	57%	0.57	S	S	*	*	S	Bend	trans	-76.5	58.1	170.1	-53.5	85	0	0	0	111.5	S88	H81-S88 WeakPolarHBondContact NE2-CB 3.18Å; H81-S88 PolarHBondContact NE2-OG 3.13Å
82	N	96.8	Very high	96.8	Very high	122 Å²	122	113 Å²	113	65%	0.652	59%	0.588	S	S	*	*			trans	-99.1	-10.6	-173.8	63.8	-11.8	0	0	0	114	K80	K80-N82 HydrophobicContact CB-CB 4.3Å; K80-N82 PolarHBondContact O-N 3.1Å; K80-N82 PolarHBondContact O-OD1 2.97Å; K80-N82 VanDerWaalsContact O-OD1 3.14Å
83	V	97.6	Very high	96.8	Very high	101 Å²	101	111.6 Å²	111.6	61%	0.612	58%	0.584	S	S	*	*	S	Bend	trans	-138.4	159.5	179.4	-63.8	0	0	0	0	111.3	V86	V83-V86 HydrophobicContact CG2-CG2 3.93Å; V83-V86 WeakPolarHBondContact O-CG2 3.32Å
84	R	97.1	Very high	96.8	Very high	251 Å²	251	111.4 Å²	111.4	95%	0.947	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	136.4	173.2	176.3	178.6	170.8	80.1	2.5	110.1
85	G	96.2	Very high	96.8	Very high	67 Å²	67	115.6 Å²	115.6	69%	0.691	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.4	3.7	174.9	0	0	0	0	0	114.7	V87	G85-V87 PolarHBondContact O-N 3.03Å
86	V	97.8	Very high	96.8	Very high	58 Å²	58	110.5 Å²	110.5	35%	0.352	60%	0.596	S	S	.	*			trans	-63.1	132	170.1	176.4	0	0	0	0	109.7	V83	V83-V86 HydrophobicContact CG2-CG2 3.93Å; V83-V86 WeakPolarHBondContact O-CG2 3.32Å
87	V	98	Very high	96.8	Very high	88 Å²	88	116.1 Å²	116.1	53%	0.533	62%	0.623	S	S	.	*			trans	-106.9	137.1	177.4	-177.5	0	0	0	0	108.6	I14 G85	I14-V87 HydrophobicContact CD1-CG2 4.22Å; I14-V87 HydrophobicContact CG1-CG2 4.37Å; I14-V87 HydrophobicContact CG2-CB 4.42Å; I14-V87 HydrophobicContact CG2-CG2 4.02Å; G85-V87 PolarHBondContact O-N 3.03Å
88	S	97.6	Very high	96.8	Very high	70 Å²	70	113.9 Å²	113.9	49%	0.49	62%	0.619	S	S	.	*			trans	-151.2	162.4	-178.8	-59.4	0	0	0	0	111.1	H81	H81-S88 WeakPolarHBondContact NE2-CB 3.18Å; H81-S88 PolarHBondContact NE2-OG 3.13Å
89	M	97.1	Very high	96.8	Very high	103 Å²	103	111.1 Å²	111.1	51%	0.507	62%	0.622	S	S	.	*			trans	-73.4	145.1	169.9	-63.7	-59	-64.5	0	0	110.2	T24 F71	T24-M89 HydrophobicContact CG2-CG 3.57Å; T24-M89 HydrophobicContact CG2-SD 4.22Å; F71-M89 HydrophobicContact CZ-CE 4.35Å
90	A	92.8	Very high	96.9	Very high	136 Å²	136	115.7 Å²	115.7	100%	1.124	65%	0.65	S	S	*	*			trans	-90.1	0	-179.5	0	0	0	0	0	113	Q52	Q52-A90 HydrophobicContact CG-CB 4.38Å

Retrieved 90 of 90 residues in 15.3 ms (Link to these results)

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