A0A087WP41_MOUSE Loading...

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 A0A087WP41, Species MOUSE (Mus musculus, Mouse), Gene Ppil3, Length 91 aa.

						>A0A087WP41_MOUSE|A0A087WP41|Ppil3
MSVTLHTDVGDIKIEVFCERTPKTCENFLALCASNYYNGCVFHRNIKGFMVQTGDPTGTGRGGSSIWAKKFEDEYSEYLKHNVRGVVSMAN
					

Structure Viewer

Loading PAE data...

(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	87.3	Confident	96.7	Very high	134 Å²	134	87 Å²	87	66%	0.66	49%	0.493	S	S	*	.				0	149.3	0	-176.5	-179.5	-67.7	0	0	107.7	E15 V16 L29	M1-E15 WeakPolarHBondContact O-CA 3.38Å; M1-V16 HydrophobicContact CB-CG2 3.92Å; M1-V16 HydrophobicContact CG-CG2 4.35Å; M1-V16 PolarHBondContact N-O 2.78Å; M1-V16 WeakPolarHBondContact O-CG2 3.4Å; M1-V16 PolarHBondContact O-N 3.42Å; M1-L29 HydrophobicContact SD-CD1 3.42Å; M1-L29 WeakPolarHBondContact SD-CD1 3.34Å; M1-L29 HydrophobicContact SD-CD2 4.11Å; M1-L29 HydrophobicContact SD-CG 4.43Å
2	S	94.6	Very high	96.8	Very high	64 Å²	64	86.3 Å²	86.3	45%	0.448	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.5	-174.8	67.1	0	0	0	0	114.3	K13 I14	S2-K13 WeakPolarHBondContact OG-CE 3.4Å; S2-I14 CarbonylContact C-O 3.49Å; S2-I14 WeakPolarHBondContact CA-O 3.46Å; S2-I14 WeakPolarHBondContact CB-O 3.45Å
3	V	97.3	Very high	97	Very high	28 Å²	28	91.6 Å²	91.6	17%	0.17	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.9	174	-178.2	0	0	0	0	108.8	I14 F28 L29	V3-I14 PolarHBondContact N-O 3.25Å; V3-I14 PolarHBondContact O-N 3.1Å; V3-F28 HydrophobicContact CB-CE1 4.2Å; V3-F28 HydrophobicContact CG2-CE1 3.99Å; V3-L29 HydrophobicContact CG2-CD2 3.54Å
4	T	98	Very high	97	Very high	55 Å²	55	86.2 Å²	86.2	34%	0.337	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.4	171.6	-58.8	0	0	0	0	109.4	D11 I12	T4-D11 HydrophobicContact CG2-CB 3.98Å; T4-I12 WeakPolarHBondContact CA-O 3.42Å
5	L	98.1	Very high	97.1	Very high	41 Å²	41	89 Å²	89	22%	0.215	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.6	168.3	-56.8	-176.8	0	0	0	108.6	T7 D11 I12 I14	L5-T7 HydrophobicContact CB-CG2 4.36Å; L5-D11 WeakPolarHBondContact O-CA 3.5Å; L5-I12 HydrophobicContact CB-CB 4.35Å; L5-I12 PolarHBondContact N-O 3.07Å; L5-I12 PolarHBondContact O-N 3.47Å; L5-I14 HydrophobicContact CD1-CD1 3.52Å; L5-I14 HydrophobicContact CG-CD1 3.84Å
6	H	98.3	Very high	97.1	Very high	141 Å²	141	84.4 Å²	84.4	65%	0.653	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	114.4	170.5	-62.5	-65.7	0	0	0	108.3	D11	H6-D11 IonicContact CE1-OD1 3.73Å; H6-D11 IonicContact CE1-OD2 3.42Å; H6-D11 PolarHBondContact CE1-OD2 3.42Å; H6-D11 IonicContact CG-OD1 3.69Å; H6-D11 IonicContact ND1-OD1 2.78Å; H6-D11 PolarHBondContact ND1-OD1 2.64Å; H6-D11 IonicContact ND1-OD2 3.25Å; H6-D11 PolarHBondContact ND1-OD2 3.09Å
7	T	98.1	Very high	97.1	Very high	31 Å²	31	85.5 Å²	85.5	19%	0.19	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	163.7	-180	80.3	0	0	0	0	110.2	L5 V9 G10 I12 F42	L5-T7 HydrophobicContact CB-CG2 4.36Å; T7-V9 PolarHBondContact O-N 3.13Å; T7-V9 PolarHBondContact OG1-N 2.92Å; T7-G10 WeakPolarHBondContact CB-O 3.16Å; T7-G10 PolarHBondContact N-O 3Å; T7-G10 VanDerWaalsContact N-O 3.09Å; T7-G10 PolarHBondContact O-N 3.37Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-G10 PolarHBondContact OG1-N 3.42Å; T7-G10 PolarHBondContact OG1-O 3.09Å; T7-I12 HydrophobicContact CG2-CD1 4.31Å; T7-F42 HydrophobicContact CG2-CE2 3.89Å; T7-F42 HydrophobicContact CG2-CZ 4.1Å
8	D	98.3	Very high	97	Very high	175 Å²	175	82.9 Å²	82.9	94%	0.936	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.8	178.6	-56.7	-30	0	0	0	113.4
9	V	97.8	Very high	97	Very high	146 Å²	146	88.9 Å²	88.9	89%	0.885	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	13.2	-177.1	-61	0	0	0	0	113.2	T7	T7-V9 PolarHBondContact O-N 3.13Å; T7-V9 PolarHBondContact OG1-N 2.92Å
10	G	98.1	Very high	96.9	Very high	35 Å²	35	90.1 Å²	90.1	36%	0.361	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.4	-177.2	175.4	0	0	0	0	0	114.1	T7	T7-G10 WeakPolarHBondContact CB-O 3.16Å; T7-G10 PolarHBondContact N-O 3Å; T7-G10 VanDerWaalsContact N-O 3.09Å; T7-G10 PolarHBondContact O-N 3.37Å; T7-G10 VanDerWaalsContact O-N 3.09Å; T7-G10 PolarHBondContact OG1-N 3.42Å; T7-G10 PolarHBondContact OG1-O 3.09Å
11	D	98.4	Very high	96.9	Very high	107 Å²	107	86.7 Å²	86.7	57%	0.572	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.1	-172.6	-70.2	-7.9	0	0	0	112.1	T4 L5 H6	T4-D11 HydrophobicContact CG2-CB 3.98Å; L5-D11 WeakPolarHBondContact O-CA 3.5Å; H6-D11 IonicContact CE1-OD1 3.73Å; H6-D11 IonicContact CE1-OD2 3.42Å; H6-D11 PolarHBondContact CE1-OD2 3.42Å; H6-D11 IonicContact CG-OD1 3.69Å; H6-D11 IonicContact ND1-OD1 2.78Å; H6-D11 PolarHBondContact ND1-OD1 2.64Å; H6-D11 IonicContact ND1-OD2 3.25Å; H6-D11 PolarHBondContact ND1-OD2 3.09Å
12	I	98.1	Very high	97.4	Very high	79 Å²	79	83.7 Å²	83.7	41%	0.405	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	110.2	175.2	-53.5	175.7	0	0	0	108.4	T4 L5 T7 I14	T4-I12 WeakPolarHBondContact CA-O 3.42Å; L5-I12 HydrophobicContact CB-CB 4.35Å; L5-I12 PolarHBondContact N-O 3.07Å; L5-I12 PolarHBondContact O-N 3.47Å; T7-I12 HydrophobicContact CG2-CD1 4.31Å; I12-I14 HydrophobicContact CG2-CD1 4.49Å; I12-I14 HydrophobicContact CG2-CG1 4.06Å
13	K	98.3	Very high	97.5	Very high	155 Å²	155	85.2 Å²	85.2	67%	0.674	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.9	173.6	-166.4	174.1	-176.3	-179.4	0	110	S2	S2-K13 WeakPolarHBondContact OG-CE 3.4Å
14	I	98.1	Very high	97.5	Very high	16 Å²	16	85.3 Å²	85.3	8%	0.082	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.6	-177.5	-58.8	176.1	0	0	0	108.6	S2 V3 L5 I12 V16 V87	S2-I14 CarbonylContact C-O 3.49Å; S2-I14 WeakPolarHBondContact CA-O 3.46Å; S2-I14 WeakPolarHBondContact CB-O 3.45Å; V3-I14 PolarHBondContact N-O 3.25Å; V3-I14 PolarHBondContact O-N 3.1Å; L5-I14 HydrophobicContact CD1-CD1 3.52Å; L5-I14 HydrophobicContact CG-CD1 3.84Å; I12-I14 HydrophobicContact CG2-CD1 4.49Å; I12-I14 HydrophobicContact CG2-CG1 4.06Å; I14-V16 HydrophobicContact CG2-CG1 4.32Å; I14-V87 HydrophobicContact CD1-CG2 4.21Å; I14-V87 HydrophobicContact CG1-CG2 4.4Å; I14-V87 HydrophobicContact CG2-CB 4.45Å; I14-V87 HydrophobicContact CG2-CG2 4.06Å
15	E	97.9	Very high	97.5	Very high	128 Å²	128	83 Å²	83	60%	0.598	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.9	166.8	-176.6	169.4	-154.9	0	0	110	M1 F17	M1-E15 WeakPolarHBondContact O-CA 3.38Å; E15-F17 HydrophobicContact CG-CE1 4.26Å
16	V	97.1	Very high	97.5	Very high	15 Å²	15	86.3 Å²	86.3	9%	0.091	44%	0.44	C	S	.	.			trans	-112.7	136.8	178.5	-62.3	0	0	0	0	110.9	M1 I14 C18 F28 L29	M1-V16 HydrophobicContact CB-CG2 3.92Å; M1-V16 HydrophobicContact CG-CG2 4.35Å; M1-V16 PolarHBondContact N-O 2.78Å; M1-V16 WeakPolarHBondContact O-CG2 3.4Å; M1-V16 PolarHBondContact O-N 3.42Å; I14-V16 HydrophobicContact CG2-CG1 4.32Å; V16-C18 PolarHBondContact O-N 2.89Å; V16-F28 HydrophobicContact CG1-CD1 3.88Å; V16-F28 HydrophobicContact CG1-CE1 3.95Å; V16-L29 HydrophobicContact CG2-CD2 4.4Å
17	F	96.9	Very high	97.5	Very high	103 Å²	103	79.7 Å²	79.7	45%	0.452	41%	0.41	S	S	.	.			trans	-98	66.8	-174.5	-56.2	-59.4	0	0	0	111.7	E15 E19 R20 T21 L79	E15-F17 HydrophobicContact CG-CE1 4.26Å; F17-E19 PolarHBondContact O-N 2.81Å; F17-E19 VanDerWaalsContact O-N 3.09Å; F17-R20 PolarHBondContact O-N 2.86Å; F17-T21 PolarHBondContact O-N 3.38Å; F17-T21 PolarHBondContact O-OG1 3.45Å; F17-L79 HydrophobicContact CD2-CD1 4.39Å; F17-L79 HydrophobicContact CD2-CD2 3.63Å; F17-L79 HydrophobicContact CE2-CD2 3.94Å; F17-L79 HydrophobicContact CG-CD2 4.28Å
18	C	95.8	Very high	97.5	Very high	40 Å²	40	79.7 Å²	79.7	27%	0.27	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.9	-175.5	-52.1	0	0	0	0	114.2	V16 R20 P22 C25	V16-C18 PolarHBondContact O-N 2.89Å; C18-R20 VanDerWaalsContact C-N 3.31Å; C18-R20 PolarHBondContact O-N 2.83Å; C18-P22 VanDerWaalsContact O-CA 3.3Å; C18-P22 WeakPolarHBondContact O-CA 3.34Å; C18-C25 VanDerWaalsContact CA-SG 3.51Å; C18-C25 HydrophobicContact CB-CB 3.98Å; C18-C25 PolarHBondContact N-SG 2.79Å; C18-C25 WeakPolarHBondContact SG-CB 3.47Å
19	E	96.3	Very high	97.4	Very high	196 Å²	196	73.5 Å²	73.5	92%	0.916	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.1	178.3	-62.7	-177.7	173.6	0	0	113.1	F17	F17-E19 PolarHBondContact O-N 2.81Å; F17-E19 VanDerWaalsContact O-N 3.09Å
20	R	95.6	Very high	97.4	Very high	112 Å²	112	68 Å²	68	42%	0.423	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-31.5	-177.4	-63.7	-169.9	180	-79.9	4.2	112.8	F17 C18 Y78 L79	F17-R20 PolarHBondContact O-N 2.86Å; C18-R20 VanDerWaalsContact C-N 3.31Å; C18-R20 PolarHBondContact O-N 2.83Å; R20-Y78 VanDerWaalsContact CZ-CG 3.48Å; R20-L79 HydrophobicContact CB-CD1 4.04Å
21	T	97.1	Very high	97.4	Very high	19 Å²	19	66.6 Å²	66.6	12%	0.117	33%	0.328	C	S	.	.			trans	-131	67.3	-177.6	57.7	0	0	0	0	110.2	F17 C25 E74 L79	F17-T21 PolarHBondContact O-N 3.38Å; F17-T21 PolarHBondContact O-OG1 3.45Å; T21-C25 VanDerWaalsContact O-CB 3.31Å; T21-C25 WeakPolarHBondContact O-CB 3.18Å; T21-C25 PolarHBondContact O-N 3.48Å; T21-C25 PolarHBondContact O-SG 2.88Å; T21-C25 PolarHBondContact OG1-SG 3.47Å; T21-E74 VanDerWaalsContact CA-OE2 3.23Å; T21-E74 WeakPolarHBondContact CA-OE2 3.17Å; T21-E74 WeakPolarHBondContact CB-OE2 3.42Å; T21-E74 HydrophobicContact CG2-CB 3.94Å; T21-L79 HydrophobicContact CG2-CD1 3.87Å
22	P	97.3	Very high	97.3	Very high	72 Å²	72	63 Å²	63	47%	0.468	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-46.8	-171.1	23	-33.3	0	0	0	113.2	C18 C25 E26 E74	C18-P22 VanDerWaalsContact O-CA 3.3Å; C18-P22 WeakPolarHBondContact O-CA 3.34Å; P22-C25 PolarHBondContact O-N 3.09Å; P22-E26 WeakPolarHBondContact O-CB 3.48Å; P22-E26 PolarHBondContact O-N 2.77Å; P22-E74 WeakPolarHBondContact CD-OE1 3.46Å; P22-E74 WeakPolarHBondContact CG-OE1 3.2Å
23	K	97.1	Very high	97.3	Very high	95 Å²	95	63.1 Å²	63.1	41%	0.413	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-39.6	-179.6	-73.6	-174.5	177.3	172.1	0	111.8	C25 E26 N27 W67 F71 E74	K23-C25 VanDerWaalsContact C-N 3.31Å; K23-C25 PolarHBondContact O-N 3.13Å; K23-E26 PolarHBondContact O-N 3.04Å; K23-N27 WeakPolarHBondContact O-CB 3.23Å; K23-N27 PolarHBondContact O-N 3.39Å; K23-W67 HydrophobicContact CB-CH2 4.25Å; K23-W67 WeakPolarHBondContact O-CH2 3.42Å; K23-F71 HydrophobicContact CB-CD2 4.42Å; K23-E74 WeakPolarHBondContact CB-OE1 3.46Å; K23-E74 PolarHBondContact N-OE1 3Å; K23-E74 PolarHBondContact N-OE2 2.65Å
24	T	97.9	Very high	97.2	Very high	30 Å²	30	59 Å²	59	18%	0.184	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-43.3	177.7	-54	0	0	0	0	110.5	F28 E74 M89	T24-F28 WeakPolarHBondContact O-CB 3.34Å; T24-F28 PolarHBondContact O-N 3Å; T24-E74 VanDerWaalsContact CB-OE2 3.28Å; T24-E74 WeakPolarHBondContact CB-OE2 3.35Å; T24-E74 PolarHBondContact N-OE2 2.94Å; T24-E74 PolarHBondContact OG1-OE2 3.12Å; T24-M89 HydrophobicContact CG2-CG 3.55Å; T24-M89 HydrophobicContact CG2-SD 4.21Å
25	C	97.4	Very high	97.1	Very high	6 Å²	6	63.1 Å²	63.1	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-69.3	-43.5	178	-70.5	0	0	0	0	112.2	C18 T21 P22 K23 N27 F28 L29	C18-C25 VanDerWaalsContact CA-SG 3.51Å; C18-C25 HydrophobicContact CB-CB 3.98Å; C18-C25 PolarHBondContact N-SG 2.79Å; C18-C25 WeakPolarHBondContact SG-CB 3.47Å; T21-C25 VanDerWaalsContact O-CB 3.31Å; T21-C25 WeakPolarHBondContact O-CB 3.18Å; T21-C25 PolarHBondContact O-N 3.48Å; T21-C25 PolarHBondContact O-SG 2.88Å; T21-C25 PolarHBondContact OG1-SG 3.47Å; P22-C25 PolarHBondContact O-N 3.09Å; K23-C25 VanDerWaalsContact C-N 3.31Å; K23-C25 PolarHBondContact O-N 3.13Å; C25-N27 VanDerWaalsContact C-N 3.33Å; C25-N27 PolarHBondContact O-N 3.21Å; C25-F28 PolarHBondContact O-N 3.15Å; C25-L29 WeakPolarHBondContact O-CB 3.37Å; C25-L29 WeakPolarHBondContact O-CD1 3.32Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.35Å
26	E	97.6	Very high	97.1	Very high	111 Å²	111	60.4 Å²	60.4	52%	0.519	32%	0.322	S	S	.	.	H	α-helix	trans	-56.2	-49.6	175.1	-175.9	-175.3	169.7	0	0	110.7	P22 K23 F28 L29 A30 W67	P22-E26 WeakPolarHBondContact O-CB 3.48Å; P22-E26 PolarHBondContact O-N 2.77Å; K23-E26 PolarHBondContact O-N 3.04Å; E26-F28 PolarHBondContact O-N 2.97Å; E26-L29 PolarHBondContact O-N 2.81Å; E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 3.21Å; E26-W67 HydrophobicContact CG-CZ2 4.29Å
27	N	97.9	Very high	97.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.011	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-51	177.2	175.7	69.3	0	0	0	111.9	K23 C25 L29 A30 L31 S65 I66 W67 F71	K23-N27 WeakPolarHBondContact O-CB 3.23Å; K23-N27 PolarHBondContact O-N 3.39Å; C25-N27 VanDerWaalsContact C-N 3.33Å; C25-N27 PolarHBondContact O-N 3.21Å; N27-L29 PolarHBondContact O-N 3.27Å; N27-A30 PolarHBondContact O-N 2.67Å; N27-L31 WeakPolarHBondContact O-CB 3.22Å; N27-L31 VanDerWaalsContact O-CG 3.25Å; N27-L31 WeakPolarHBondContact O-CG 3.38Å; N27-L31 PolarHBondContact O-N 2.98Å; N27-S65 WeakPolarHBondContact OD1-CA 3.15Å; N27-S65 WeakPolarHBondContact OD1-CB 3.3Å; N27-I66 PolarHBondContact OD1-N 3.43Å; N27-W67 HydrophobicContact CB-CH2 3.91Å; N27-W67 HydrophobicContact CB-CZ3 3.78Å; N27-F71 HydrophobicContact CB-CE1 4.09Å; N27-F71 HydrophobicContact CB-CZ 4.22Å
28	F	98	Very high	97.2	Very high	31 Å²	31	62.4 Å²	62.4	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-47.3	-178.2	178.6	-108.5	0	0	0	111.9	V3 V16 T24 C25 E26 L31 C32 Y37	V3-F28 HydrophobicContact CB-CE1 4.2Å; V3-F28 HydrophobicContact CG2-CE1 3.99Å; V16-F28 HydrophobicContact CG1-CD1 3.88Å; V16-F28 HydrophobicContact CG1-CE1 3.95Å; T24-F28 WeakPolarHBondContact O-CB 3.34Å; T24-F28 PolarHBondContact O-N 3Å; C25-F28 PolarHBondContact O-N 3.15Å; E26-F28 PolarHBondContact O-N 2.97Å; F28-L31 PolarHBondContact O-N 3.04Å; F28-C32 WeakPolarHBondContact O-CB 3.34Å; F28-C32 PolarHBondContact O-N 2.67Å; F28-C32 PolarHBondContact O-SG 2.87Å; F28-Y37 AromaticContact CD2-CE2 3.81Å; F28-Y37 HydrophobicContact CD2-CE2 3.81Å; F28-Y37 AromaticContact CE2-CE2 3.9Å; F28-Y37 HydrophobicContact CE2-CE2 3.9Å
29	L	97.4	Very high	97.2	Very high	45 Å²	45	64.3 Å²	64.3	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-39.5	-179.3	-66.6	167.8	0	0	0	112.1	M1 V3 V16 C25 E26 N27 C32 A33	M1-L29 HydrophobicContact SD-CD1 3.42Å; M1-L29 WeakPolarHBondContact SD-CD1 3.34Å; M1-L29 HydrophobicContact SD-CD2 4.11Å; M1-L29 HydrophobicContact SD-CG 4.43Å; V3-L29 HydrophobicContact CG2-CD2 3.54Å; V16-L29 HydrophobicContact CG2-CD2 4.4Å; C25-L29 WeakPolarHBondContact O-CB 3.37Å; C25-L29 WeakPolarHBondContact O-CD1 3.32Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.35Å; E26-L29 PolarHBondContact O-N 2.81Å; N27-L29 PolarHBondContact O-N 3.27Å; L29-C32 PolarHBondContact O-N 2.8Å; L29-A33 WeakPolarHBondContact O-CB 3.28Å; L29-A33 PolarHBondContact O-N 3.26Å
30	A	97.5	Very high	97.3	Very high	30 Å²	30	56 Å²	56	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-39.5	177.2	0	0	0	0	0	112	E26 N27 A33 S34 I66	E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 3.21Å; N27-A30 PolarHBondContact O-N 2.67Å; A30-A33 PolarHBondContact O-N 3.2Å; A30-S34 WeakPolarHBondContact O-CB 3.49Å; A30-S34 PolarHBondContact O-N 3.36Å; A30-S34 PolarHBondContact O-OG 2.92Å; A30-I66 HydrophobicContact CB-CB 4.14Å; A30-I66 HydrophobicContact CB-CD1 4.03Å; A30-I66 HydrophobicContact CB-CG1 3.76Å; A30-I66 HydrophobicContact CB-CG2 4.4Å
31	L	97.7	Very high	97.4	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-67.7	-40.7	174.6	-68.3	174.2	0	0	0	111.5	N27 F28 S34 N35 Y36 Y37 I66	N27-L31 WeakPolarHBondContact O-CB 3.22Å; N27-L31 VanDerWaalsContact O-CG 3.25Å; N27-L31 WeakPolarHBondContact O-CG 3.38Å; N27-L31 PolarHBondContact O-N 2.98Å; F28-L31 PolarHBondContact O-N 3.04Å; L31-S34 WeakPolarHBondContact CA-OG 3.42Å; L31-S34 PolarHBondContact O-N 3.37Å; L31-S34 PolarHBondContact O-OG 3.42Å; L31-N35 PolarHBondContact O-N 2.93Å; L31-Y36 HydrophobicContact CB-CD1 4.31Å; L31-Y36 HydrophobicContact CB-CG 4.35Å; L31-Y36 HydrophobicContact CD1-CD1 4.37Å; L31-Y36 HydrophobicContact CD2-CD1 3.89Å; L31-Y36 HydrophobicContact CD2-CD2 3.92Å; L31-Y36 HydrophobicContact CD2-CE1 4.37Å; L31-Y36 HydrophobicContact CD2-CE2 4.39Å; L31-Y36 HydrophobicContact CD2-CG 3.63Å; L31-Y36 HydrophobicContact CG-CD1 4.41Å; L31-Y36 HydrophobicContact CG-CG 4.47Å; L31-Y36 VanDerWaalsContact O-CB 3.25Å; L31-Y36 WeakPolarHBondContact O-CB 3.35Å; L31-Y36 PolarHBondContact O-N 3.48Å; L31-Y37 HydrophobicContact CB-CD2 4.21Å; L31-Y37 HydrophobicContact CB-CE2 3.51Å; L31-Y37 HydrophobicContact CD1-CE1 4.46Å; L31-Y37 HydrophobicContact CD1-CE2 4.46Å; L31-Y37 VanDerWaalsContact CD1-OH 3.23Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.26Å; L31-I66 HydrophobicContact CD2-CB 4.45Å; L31-I66 HydrophobicContact CD2-CD1 4.29Å
32	C	97.3	Very high	97.4	Very high	31 Å²	31	57.8 Å²	57.8	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-58.9	-48.4	171.6	-72	0	0	0	0	111.9	F28 L29 S34 N35	F28-C32 WeakPolarHBondContact O-CB 3.34Å; F28-C32 PolarHBondContact O-N 2.67Å; F28-C32 PolarHBondContact O-SG 2.87Å; L29-C32 PolarHBondContact O-N 2.8Å; C32-S34 VanDerWaalsContact C-N 3.28Å; C32-S34 PolarHBondContact O-N 3.24Å; C32-N35 PolarHBondContact O-N 3.43Å
33	A	96.4	Very high	97.4	Very high	83 Å²	83	56.8 Å²	56.8	69%	0.686	33%	0.328	S	S	*	.	H	α-helix	trans	-66.8	-28.2	-177.7	0	0	0	0	0	113.4	L29 A30 N35	L29-A33 WeakPolarHBondContact O-CB 3.28Å; L29-A33 PolarHBondContact O-N 3.26Å; A30-A33 PolarHBondContact O-N 3.2Å; A33-N35 VanDerWaalsContact C-N 3.3Å
34	S	96.6	Very high	97.4	Very high	67 Å²	67	58.5 Å²	58.5	47%	0.469	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	10.9	177.4	56.8	0	0	0	0	113.9	A30 L31 C32 Y36	A30-S34 WeakPolarHBondContact O-CB 3.49Å; A30-S34 PolarHBondContact O-N 3.36Å; A30-S34 PolarHBondContact O-OG 2.92Å; L31-S34 WeakPolarHBondContact CA-OG 3.42Å; L31-S34 PolarHBondContact O-N 3.37Å; L31-S34 PolarHBondContact O-OG 3.42Å; C32-S34 VanDerWaalsContact C-N 3.28Å; C32-S34 PolarHBondContact O-N 3.24Å; S34-Y36 PolarHBondContact O-N 3.48Å
35	N	97.4	Very high	97.4	Very high	104 Å²	104	63.1 Å²	63.1	56%	0.556	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	18.9	-177.5	-63.1	-57	0	0	0	114.3	L31 C32 A33 Y37 N38	L31-N35 PolarHBondContact O-N 2.93Å; C32-N35 PolarHBondContact O-N 3.43Å; A33-N35 VanDerWaalsContact C-N 3.3Å; N35-Y37 VanDerWaalsContact C-N 3.26Å; N35-Y37 PolarHBondContact O-N 2.89Å; N35-N38 HydrophobicContact CB-CB 4.49Å; N35-N38 WeakPolarHBondContact CB-ND2 3.37Å; N35-N38 WeakPolarHBondContact O-CB 3.28Å; N35-N38 PolarHBondContact O-N 3.37Å; N35-N38 VanDerWaalsContact O-N 3.09Å; N35-N38 PolarHBondContact OD1-ND2 3.5Å
36	Y	97.6	Very high	97.4	Very high	71 Å²	71	65.9 Å²	65.9	28%	0.278	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-36.5	-174.5	-175.4	-95.6	0	0	0	113	L31 S34 N38 P56 G63 S64	L31-Y36 HydrophobicContact CB-CD1 4.31Å; L31-Y36 HydrophobicContact CB-CG 4.35Å; L31-Y36 HydrophobicContact CD1-CD1 4.37Å; L31-Y36 HydrophobicContact CD2-CD1 3.89Å; L31-Y36 HydrophobicContact CD2-CD2 3.92Å; L31-Y36 HydrophobicContact CD2-CE1 4.37Å; L31-Y36 HydrophobicContact CD2-CE2 4.39Å; L31-Y36 HydrophobicContact CD2-CG 3.63Å; L31-Y36 HydrophobicContact CG-CD1 4.41Å; L31-Y36 HydrophobicContact CG-CG 4.47Å; L31-Y36 VanDerWaalsContact O-CB 3.25Å; L31-Y36 WeakPolarHBondContact O-CB 3.35Å; L31-Y36 PolarHBondContact O-N 3.48Å; S34-Y36 PolarHBondContact O-N 3.48Å; Y36-N38 VanDerWaalsContact C-N 3.33Å; Y36-P56 HydrophobicContact CD1-CG 4.29Å; Y36-P56 HydrophobicContact CE1-CG 3.55Å; Y36-P56 HydrophobicContact CE2-CG 4.08Å; Y36-P56 VanDerWaalsContact CZ-CG 3.44Å; Y36-P56 WeakPolarHBondContact OH-CG 3.37Å; Y36-G63 WeakPolarHBondContact OH-CA 3.41Å; Y36-S64 PolarHBondContact OH-N 2.74Å
37	Y	97.9	Very high	97.4	Very high	45 Å²	45	70.5 Å²	70.5	18%	0.176	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.2	-178.8	-61.2	-55.2	0	0	0	113.9	F28 L31 N35 G39 C40	F28-Y37 AromaticContact CD2-CE2 3.81Å; F28-Y37 HydrophobicContact CD2-CE2 3.81Å; F28-Y37 AromaticContact CE2-CE2 3.9Å; F28-Y37 HydrophobicContact CE2-CE2 3.9Å; L31-Y37 HydrophobicContact CB-CD2 4.21Å; L31-Y37 HydrophobicContact CB-CE2 3.51Å; L31-Y37 HydrophobicContact CD1-CE1 4.46Å; L31-Y37 HydrophobicContact CD1-CE2 4.46Å; L31-Y37 VanDerWaalsContact CD1-OH 3.23Å; L31-Y37 WeakPolarHBondContact CD1-OH 3.26Å; N35-Y37 VanDerWaalsContact C-N 3.26Å; N35-Y37 PolarHBondContact O-N 2.89Å; Y37-G39 PolarHBondContact O-N 3.33Å; Y37-C40 VanDerWaalsContact O-CB 3.28Å; Y37-C40 WeakPolarHBondContact O-CB 3.25Å; Y37-C40 PolarHBondContact O-N 3.45Å
38	N	97.6	Very high	97.3	Very high	114 Å²	114	74.7 Å²	74.7	61%	0.61	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	125.4	-178	-66.8	2.3	0	0	0	109.6	N35 Y36 C40	N35-N38 HydrophobicContact CB-CB 4.49Å; N35-N38 WeakPolarHBondContact CB-ND2 3.37Å; N35-N38 WeakPolarHBondContact O-CB 3.28Å; N35-N38 PolarHBondContact O-N 3.37Å; N35-N38 VanDerWaalsContact O-N 3.09Å; N35-N38 PolarHBondContact OD1-ND2 3.5Å; Y36-N38 VanDerWaalsContact C-N 3.33Å; N38-C40 VanDerWaalsContact C-N 3.29Å; N38-C40 PolarHBondContact O-N 2.94Å
39	G	96.4	Very high	97.3	Very high	81 Å²	81	80.9 Å²	80.9	84%	0.835	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-0.2	-175.8	0	0	0	0	0	114.9	Y37 V41	Y37-G39 PolarHBondContact O-N 3.33Å; G39-V41 PolarHBondContact O-N 3.43Å
40	C	97.6	Very high	97.3	Very high	21 Å²	21	81.4 Å²	81.4	14%	0.142	46%	0.46	C	S	.	.			trans	-66.2	129.8	172.1	-75.6	0	0	0	0	110.8	Y37 N38	Y37-C40 VanDerWaalsContact O-CB 3.28Å; Y37-C40 WeakPolarHBondContact O-CB 3.25Å; Y37-C40 PolarHBondContact O-N 3.45Å; N38-C40 VanDerWaalsContact C-N 3.29Å; N38-C40 PolarHBondContact O-N 2.94Å
41	V	97.5	Very high	97.3	Very high	84 Å²	84	83.4 Å²	83.4	51%	0.509	47%	0.47	S	S	.	.			trans	-88.7	153.2	177.1	-60.4	0	0	0	0	112	G39 H43 T53	G39-V41 PolarHBondContact O-N 3.43Å; V41-H43 VanDerWaalsContact C-N 3.29Å; V41-H43 HydrophobicContact CG2-CB 4.23Å; V41-H43 PolarHBondContact O-N 3.38Å; V41-T53 PolarHBondContact O-OG1 2.88Å
42	F	97.9	Very high	97.4	Very high	84 Å²	84	85.4 Å²	85.4	37%	0.368	48%	0.479	S	S	.	.			trans	-76.8	81	166.5	-68.3	-89.7	0	0	0	110	T7 R44 V51 Q52 T53	T7-F42 HydrophobicContact CG2-CE2 3.89Å; T7-F42 HydrophobicContact CG2-CZ 4.1Å; F42-R44 VanDerWaalsContact C-N 3.31Å; F42-R44 PolarHBondContact O-N 3.47Å; F42-V51 HydrophobicContact CB-CG2 3.85Å; F42-V51 HydrophobicContact CD1-CB 4.37Å; F42-V51 HydrophobicContact CD1-CG1 3.97Å; F42-V51 HydrophobicContact CD1-CG2 3.53Å; F42-V51 HydrophobicContact CE1-CG1 4.12Å; F42-V51 HydrophobicContact CE1-CG2 4.46Å; F42-V51 HydrophobicContact CG-CG2 4.05Å; F42-Q52 CarbonylContact C-O 3.47Å; F42-Q52 WeakPolarHBondContact CA-O 3.23Å; F42-T53 HydrophobicContact CD1-CG2 3.97Å; F42-T53 HydrophobicContact CE1-CG2 3.63Å; F42-T53 HydrophobicContact CZ-CG2 4.19Å
43	H	97.2	Very high	97.4	Very high	51 Å²	51	86.6 Å²	86.6	24%	0.236	49%	0.485	C	S	.	.			trans	-71.8	-18.2	-170.8	59	-88	0	0	0	114.5	V41 Q52 G58 G60	V41-H43 VanDerWaalsContact C-N 3.29Å; V41-H43 HydrophobicContact CG2-CB 4.23Å; V41-H43 PolarHBondContact O-N 3.38Å; H43-Q52 PolarHBondContact N-O 3.04Å; H43-G58 VanDerWaalsContact CB-O 3.26Å; H43-G58 WeakPolarHBondContact CB-O 3.25Å; H43-G60 WeakPolarHBondContact NE2-CA 3.46Å
44	R	97.5	Very high	97.4	Very high	132 Å²	132	83.6 Å²	83.6	50%	0.498	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.7	177.9	-168.1	-179.6	179	-173.5	1.4	110.7	F42 I46 M50 V51 Q52	F42-R44 VanDerWaalsContact C-N 3.31Å; F42-R44 PolarHBondContact O-N 3.47Å; R44-I46 HydrophobicContact CG-CG1 4.45Å; R44-M50 HydrophobicContact CB-CE 4.39Å; R44-M50 HydrophobicContact CG-CE 3.79Å; R44-V51 CarbonylContact O-C 3.53Å; R44-V51 WeakPolarHBondContact O-CA 3.18Å; R44-Q52 HydrophobicContact CB-CB 4.04Å; R44-Q52 PolarHBondContact O-N 2.91Å
45	N	97.6	Very high	97.4	Very high	126 Å²	126	80.6 Å²	80.6	67%	0.674	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.1	179.5	-175.9	8.2	0	0	0	110.2	V51	N45-V51 HydrophobicContact CB-CG2 4Å
46	I	97.5	Very high	97.3	Very high	64 Å²	64	78.9 Å²	78.9	33%	0.328	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	105	178.7	-55.8	176.9	0	0	0	108.2	R44 G48 F49 M50	R44-I46 HydrophobicContact CG-CG1 4.45Å; I46-G48 PolarHBondContact O-N 3.47Å; I46-F49 HydrophobicContact CB-CB 4.16Å; I46-F49 HydrophobicContact CB-CD1 4.36Å; I46-F49 HydrophobicContact CD1-CD1 4.19Å; I46-F49 HydrophobicContact CG2-CB 3.83Å; I46-F49 HydrophobicContact CG2-CD1 4.36Å; I46-F49 PolarHBondContact O-N 3.48Å; I46-M50 HydrophobicContact CB-CE 4.44Å; I46-M50 HydrophobicContact CD1-CE 3.75Å; I46-M50 HydrophobicContact CG1-CE 3.95Å; I46-M50 PolarHBondContact N-O 3.42Å; I46-M50 PolarHBondContact O-N 3Å; I46-M50 VanDerWaalsContact O-N 3.13Å
47	K	97.6	Very high	97.2	Very high	208 Å²	208	79.7 Å²	79.7	90%	0.904	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	132.3	-179.6	-174.4	179.3	178.8	-177.6	0	110.8	F49	K47-F49 PolarHBondContact O-N 3.21Å
48	G	95.3	Very high	97	Very high	90 Å²	90	78.8 Å²	78.8	93%	0.928	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-4.7	-178.6	0	0	0	0	0	114.4	I46	I46-G48 PolarHBondContact O-N 3.47Å
49	F	97.4	Very high	96.8	Very high	162 Å²	162	77.9 Å²	77.9	71%	0.711	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-80.5	179.4	-174.9	-131.8	0	0	0	111.6	I46 K47	I46-F49 HydrophobicContact CB-CB 4.16Å; I46-F49 HydrophobicContact CB-CD1 4.36Å; I46-F49 HydrophobicContact CD1-CD1 4.19Å; I46-F49 HydrophobicContact CG2-CB 3.83Å; I46-F49 HydrophobicContact CG2-CD1 4.36Å; I46-F49 PolarHBondContact O-N 3.48Å; K47-F49 PolarHBondContact O-N 3.21Å
50	M	98	Very high	96.6	Very high	55 Å²	55	75.8 Å²	75.8	27%	0.271	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	165.8	-174.7	68.6	84.6	-141.9	0	0	112.6	R44 I46 Q52	R44-M50 HydrophobicContact CB-CE 4.39Å; R44-M50 HydrophobicContact CG-CE 3.79Å; I46-M50 HydrophobicContact CB-CE 4.44Å; I46-M50 HydrophobicContact CD1-CE 3.75Å; I46-M50 HydrophobicContact CG1-CE 3.95Å; I46-M50 PolarHBondContact N-O 3.42Å; I46-M50 PolarHBondContact O-N 3Å; I46-M50 VanDerWaalsContact O-N 3.13Å; M50-Q52 HydrophobicContact CE-CB 4.35Å; M50-Q52 HydrophobicContact SD-CB 3.95Å
51	V	98.1	Very high	96.4	Very high	73 Å²	73	85.9 Å²	85.9	44%	0.442	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.1	166.9	73.3	0	0	0	0	109.1	F42 R44 N45	F42-V51 HydrophobicContact CB-CG2 3.85Å; F42-V51 HydrophobicContact CD1-CB 4.37Å; F42-V51 HydrophobicContact CD1-CG1 3.97Å; F42-V51 HydrophobicContact CD1-CG2 3.53Å; F42-V51 HydrophobicContact CE1-CG1 4.12Å; F42-V51 HydrophobicContact CE1-CG2 4.46Å; F42-V51 HydrophobicContact CG-CG2 4.05Å; R44-V51 CarbonylContact O-C 3.53Å; R44-V51 WeakPolarHBondContact O-CA 3.18Å; N45-V51 HydrophobicContact CB-CG2 4Å
52	Q	98.3	Very high	96.1	Very high	47 Å²	47	83.5 Å²	83.5	22%	0.22	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.6	-177.2	-161.9	177	-21.2	0	0	110.5	F42 H43 R44 M50	F42-Q52 CarbonylContact C-O 3.47Å; F42-Q52 WeakPolarHBondContact CA-O 3.23Å; H43-Q52 PolarHBondContact N-O 3.04Å; R44-Q52 HydrophobicContact CB-CB 4.04Å; R44-Q52 PolarHBondContact O-N 2.91Å; M50-Q52 HydrophobicContact CE-CB 4.35Å; M50-Q52 HydrophobicContact SD-CB 3.95Å
53	T	98.1	Very high	95.8	Very high	56 Å²	56	81.6 Å²	81.6	34%	0.344	46%	0.461	S	S	.	.			trans	-145.2	-172.7	177.8	-170.5	0	0	0	0	109.5	V41 F42	V41-T53 PolarHBondContact O-OG1 2.88Å; F42-T53 HydrophobicContact CD1-CG2 3.97Å; F42-T53 HydrophobicContact CE1-CG2 3.63Å; F42-T53 HydrophobicContact CZ-CG2 4.19Å
54	G	96.7	Very high	95.6	Very high	20 Å²	20	81.8 Å²	81.8	21%	0.206	47%	0.468	C	S	.	.			trans	91.6	11.9	175.1	0	0	0	0	0	114.8
55	D	96.9	Very high	95.6	Very high	4 Å²	4	76.2 Å²	76.2	2%	0.021	45%	0.449	C	S	.	.			trans	-104.9	109.8	170	-179.3	-3.4	0	0	0	109.7	T57 G58 T59 G60 R61 G62	D55-T57 PolarHBondContact O-N 3.17Å; D55-T57 VanDerWaalsContact O-N 3.17Å; D55-T57 WeakPolarHBondContact OD1-CA 3.45Å; D55-T57 WeakPolarHBondContact OD1-CB 3.42Å; D55-T57 PolarHBondContact OD1-N 3.27Å; D55-T57 PolarHBondContact OD1-OG1 2.97Å; D55-T57 PolarHBondContact OD2-OG1 3.2Å; D55-G58 PolarHBondContact O-N 3Å; D55-T59 PolarHBondContact OD2-N 3.46Å; D55-T59 PolarHBondContact OD2-OG1 2.81Å; D55-G60 WeakPolarHBondContact OD2-CA 3.33Å; D55-G60 PolarHBondContact OD2-N 3.02Å; D55-R61 PolarHBondContact OD2-N 3.09Å; D55-R61 VanDerWaalsContact OD2-N 3.12Å; D55-G62 WeakPolarHBondContact OD1-CA 3.17Å; D55-G62 PolarHBondContact OD2-N 3.25Å
56	P	94.8	Very high	95.5	Very high	69 Å²	69	73.7 Å²	73.7	45%	0.448	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.3	177	-25	34.6	0	0	0	114.5	Y36	Y36-P56 HydrophobicContact CD1-CG 4.29Å; Y36-P56 HydrophobicContact CE1-CG 3.55Å; Y36-P56 HydrophobicContact CE2-CG 4.08Å; Y36-P56 VanDerWaalsContact CZ-CG 3.44Å; Y36-P56 WeakPolarHBondContact OH-CG 3.37Å
57	T	95.1	Very high	95.4	Very high	88 Å²	88	75 Å²	75	54%	0.54	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.1	176.1	73.1	0	0	0	0	112.7	D55 T59	D55-T57 PolarHBondContact O-N 3.17Å; D55-T57 VanDerWaalsContact O-N 3.17Å; D55-T57 WeakPolarHBondContact OD1-CA 3.45Å; D55-T57 WeakPolarHBondContact OD1-CB 3.42Å; D55-T57 PolarHBondContact OD1-N 3.27Å; D55-T57 PolarHBondContact OD1-OG1 2.97Å; D55-T57 PolarHBondContact OD2-OG1 3.2Å; T57-T59 PolarHBondContact O-N 2.91Å; T57-T59 PolarHBondContact OG1-N 3.15Å; T57-T59 PolarHBondContact OG1-OG1 3.42Å
58	G	93.6	Very high	95.2	Very high	26 Å²	26	69.1 Å²	69.1	27%	0.268	43%	0.426	S	S	.	.	S	Bend	trans	67.7	9.4	-175.8	0	0	0	0	0	115.1	H43 D55	H43-G58 VanDerWaalsContact CB-O 3.26Å; H43-G58 WeakPolarHBondContact CB-O 3.25Å; D55-G58 PolarHBondContact O-N 3Å
59	T	94	Very high	95.1	Very high	94 Å²	94	71.8 Å²	71.8	58%	0.577	41%	0.412	S	S	*	.	S	Bend	trans	-89.7	-16.4	-175.5	63.4	0	0	0	0	113.7	D55 T57 R61	D55-T59 PolarHBondContact OD2-N 3.46Å; D55-T59 PolarHBondContact OD2-OG1 2.81Å; T57-T59 PolarHBondContact O-N 2.91Å; T57-T59 PolarHBondContact OG1-N 3.15Å; T57-T59 PolarHBondContact OG1-OG1 3.42Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact OG1-N 3.03Å
60	G	92.4	Very high	94.9	Very high	37 Å²	37	72.5 Å²	72.5	38%	0.381	42%	0.415	S	S	.	.	S	Bend	trans	79.6	8	-170.9	0	0	0	0	0	114	H43 D55	H43-G60 WeakPolarHBondContact NE2-CA 3.46Å; D55-G60 WeakPolarHBondContact OD2-CA 3.33Å; D55-G60 PolarHBondContact OD2-N 3.02Å
61	R	91.9	Very high	94.9	Very high	233 Å²	233	72.4 Å²	72.4	88%	0.879	41%	0.413	S	S	*	.	S	Bend	trans	-122	-11.9	179.7	-57.3	-177.3	-170	-176.3	2.4	113.1	D55 T59	D55-R61 PolarHBondContact OD2-N 3.09Å; D55-R61 VanDerWaalsContact OD2-N 3.12Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact OG1-N 3.03Å
62	G	91.9	Very high	94.8	Very high	34 Å²	34	75.9 Å²	75.9	35%	0.351	42%	0.424	S	S	.	.			trans	-89.5	-165	176.3	0	0	0	0	0	112.1	D55	D55-G62 WeakPolarHBondContact OD1-CA 3.17Å; D55-G62 PolarHBondContact OD2-N 3.25Å
63	G	92.1	Very high	94.8	Very high	44 Å²	44	77.6 Å²	77.6	45%	0.454	44%	0.435	S	S	.	.			trans	91.5	140.6	-172.7	0	0	0	0	0	112.1	Y36	Y36-G63 WeakPolarHBondContact OH-CA 3.41Å
64	S	93.7	Very high	94.7	Very high	55 Å²	55	77.2 Å²	77.2	39%	0.385	43%	0.429	S	S	.	.			trans	-141.5	157.4	170.3	-160.7	0	0	0	0	109.8	Y36 A68	Y36-S64 PolarHBondContact OH-N 2.74Å; S64-A68 VanDerWaalsContact OG-C 3.29Å; S64-A68 WeakPolarHBondContact OG-CA 3.37Å
65	S	96.1	Very high	94.7	Very high	15 Å²	15	85.3 Å²	85.3	11%	0.105	46%	0.455	C	S	.	.			trans	-69.9	169.4	173.9	75.4	0	0	0	0	110.8	N27 W67 A68 K69	N27-S65 WeakPolarHBondContact OD1-CA 3.15Å; N27-S65 WeakPolarHBondContact OD1-CB 3.3Å; S65-W67 PolarHBondContact O-N 3.24Å; S65-W67 VanDerWaalsContact O-N 3.09Å; S65-W67 PolarHBondContact OG-N 3.34Å; S65-W67 VanDerWaalsContact OG-N 3.12Å; S65-A68 PolarHBondContact O-N 2.84Å; S65-A68 PolarHBondContact OG-N 3.32Å; S65-K69 VanDerWaalsContact CB-O 3.3Å; S65-K69 WeakPolarHBondContact CB-O 3.48Å; S65-K69 PolarHBondContact OG-N 3.37Å; S65-K69 PolarHBondContact OG-O 2.97Å
66	I	96.4	Very high	94.7	Very high	73 Å²	73	86.6 Å²	86.6	37%	0.374	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.7	171	-164.4	64.7	0	0	0	112.7	N27 A30 L31	N27-I66 PolarHBondContact OD1-N 3.43Å; A30-I66 HydrophobicContact CB-CB 4.14Å; A30-I66 HydrophobicContact CB-CD1 4.03Å; A30-I66 HydrophobicContact CB-CG1 3.76Å; A30-I66 HydrophobicContact CB-CG2 4.4Å; L31-I66 HydrophobicContact CD2-CB 4.45Å; L31-I66 HydrophobicContact CD2-CD1 4.29Å
67	W	95.4	Very high	94.8	Very high	93 Å²	93	91.3 Å²	91.3	35%	0.352	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8.3	178.2	-51.1	-69.6	0	0	0	113.7	K23 E26 N27 S65 K69 F71	K23-W67 HydrophobicContact CB-CH2 4.25Å; K23-W67 WeakPolarHBondContact O-CH2 3.42Å; E26-W67 HydrophobicContact CG-CZ2 4.29Å; N27-W67 HydrophobicContact CB-CH2 3.91Å; N27-W67 HydrophobicContact CB-CZ3 3.78Å; S65-W67 PolarHBondContact O-N 3.24Å; S65-W67 VanDerWaalsContact O-N 3.09Å; S65-W67 PolarHBondContact OG-N 3.34Å; S65-W67 VanDerWaalsContact OG-N 3.12Å; W67-K69 HydrophobicContact CB-CG 4.09Å; W67-K69 PolarHBondContact O-N 3.19Å; W67-F71 HydrophobicContact CE3-CB 4.27Å; W67-F71 HydrophobicContact CE3-CD1 4.18Å; W67-F71 HydrophobicContact CE3-CG 4.41Å; W67-F71 HydrophobicContact CZ3-CB 4.02Å; W67-F71 AromaticContact CZ3-CD1 3.78Å; W67-F71 HydrophobicContact CZ3-CD1 3.78Å; W67-F71 HydrophobicContact CZ3-CD2 4.46Å; W67-F71 HydrophobicContact CZ3-CE1 4.37Å; W67-F71 AromaticContact CZ3-CG 3.84Å; W67-F71 HydrophobicContact CZ3-CG 3.84Å
68	A	92.6	Very high	94.8	Very high	83 Å²	83	95 Å²	95	69%	0.686	49%	0.486	S	S	*	.	S	Bend	trans	57.3	17.8	-176.9	0	0	0	0	0	115.1	S64 S65	S64-A68 VanDerWaalsContact OG-C 3.29Å; S64-A68 WeakPolarHBondContact OG-CA 3.37Å; S65-A68 PolarHBondContact O-N 2.84Å; S65-A68 PolarHBondContact OG-N 3.32Å
69	K	93.5	Very high	95	Very high	147 Å²	147	96.8 Å²	96.8	64%	0.639	49%	0.489	S	S	*	.	S	Bend	trans	-143.7	156.6	179.4	65	-176.7	178.9	178.9	0	111.3	S65 W67	S65-K69 VanDerWaalsContact CB-O 3.3Å; S65-K69 WeakPolarHBondContact CB-O 3.48Å; S65-K69 PolarHBondContact OG-N 3.37Å; S65-K69 PolarHBondContact OG-O 2.97Å; W67-K69 HydrophobicContact CB-CG 4.09Å; W67-K69 PolarHBondContact O-N 3.19Å
70	K	94.2	Very high	95.2	Very high	176 Å²	176	98.6 Å²	98.6	77%	0.765	49%	0.489	S	S	*	.			trans	-62	148.5	170.8	-64.9	-167.3	175.7	-163.4	0	110.3	N91	K70-N91 PolarHBondContact NZ-OXT 3.09Å
71	F	96.4	Very high	95.4	Very high	53 Å²	53	103.9 Å²	103.9	23%	0.232	50%	0.503	C	S	.	.			trans	-120.9	164.3	174.7	64.2	-86.2	0	0	0	109.7	K23 N27 W67 M89	K23-F71 HydrophobicContact CB-CD2 4.42Å; N27-F71 HydrophobicContact CB-CE1 4.09Å; N27-F71 HydrophobicContact CB-CZ 4.22Å; W67-F71 HydrophobicContact CE3-CB 4.27Å; W67-F71 HydrophobicContact CE3-CD1 4.18Å; W67-F71 HydrophobicContact CE3-CG 4.41Å; W67-F71 HydrophobicContact CZ3-CB 4.02Å; W67-F71 AromaticContact CZ3-CD1 3.78Å; W67-F71 HydrophobicContact CZ3-CD1 3.78Å; W67-F71 HydrophobicContact CZ3-CD2 4.46Å; W67-F71 HydrophobicContact CZ3-CE1 4.37Å; W67-F71 AromaticContact CZ3-CG 3.84Å; W67-F71 HydrophobicContact CZ3-CG 3.84Å; F71-M89 HydrophobicContact CE1-CE 4.37Å; F71-M89 HydrophobicContact CZ-CE 4.19Å; F71-M89 HydrophobicContact CZ-CG 4.42Å
72	E	97	Very high	95.6	Very high	147 Å²	147	98.7 Å²	98.7	69%	0.687	49%	0.493	S	S	*	.			trans	-71.1	150.2	-175.1	-66.9	166.4	-164.8	0	0	112.3
73	D	97.3	Very high	95.9	Very high	82 Å²	82	101.8 Å²	101.8	44%	0.439	50%	0.504	S	S	.	.			trans	-69.6	140.5	174.9	-62.9	-43.1	0	0	0	111.3	Y75 N91	D73-Y75 HydrophobicContact CB-CD2 3.99Å; D73-Y75 HydrophobicContact CB-CE1 4.25Å; D73-Y75 HydrophobicContact CB-CE2 3.33Å; D73-Y75 VanDerWaalsContact CB-CZ 3.49Å; D73-Y75 VanDerWaalsContact CG-OH 3.24Å; D73-Y75 PolarHBondContact OD2-OH 2.83Å; D73-N91 PolarHBondContact OD1-ND2 2.96Å
74	E	96.9	Very high	96.2	Very high	48 Å²	48	111.7 Å²	111.7	22%	0.224	53%	0.528	C	S	.	.			trans	-112.5	82.6	176.8	-67.3	177.1	131.2	0	0	110.3	T21 P22 K23 T24	T21-E74 VanDerWaalsContact CA-OE2 3.23Å; T21-E74 WeakPolarHBondContact CA-OE2 3.17Å; T21-E74 WeakPolarHBondContact CB-OE2 3.42Å; T21-E74 HydrophobicContact CG2-CB 3.94Å; P22-E74 WeakPolarHBondContact CD-OE1 3.46Å; P22-E74 WeakPolarHBondContact CG-OE1 3.2Å; K23-E74 WeakPolarHBondContact CB-OE1 3.46Å; K23-E74 PolarHBondContact N-OE1 3Å; K23-E74 PolarHBondContact N-OE2 2.65Å; T24-E74 VanDerWaalsContact CB-OE2 3.28Å; T24-E74 WeakPolarHBondContact CB-OE2 3.35Å; T24-E74 PolarHBondContact N-OE2 2.94Å; T24-E74 PolarHBondContact OG1-OE2 3.12Å
75	Y	96.9	Very high	96.3	Very high	190 Å²	190	112.2 Å²	112.2	75%	0.745	54%	0.543	S	S	*	.			trans	-76.2	144.7	178.7	-60.2	-68.4	0	0	0	112.1	D73	D73-Y75 HydrophobicContact CB-CD2 3.99Å; D73-Y75 HydrophobicContact CB-CE1 4.25Å; D73-Y75 HydrophobicContact CB-CE2 3.33Å; D73-Y75 VanDerWaalsContact CB-CZ 3.49Å; D73-Y75 VanDerWaalsContact CG-OH 3.24Å; D73-Y75 PolarHBondContact OD2-OH 2.83Å
76	S	96.1	Very high	96.4	Very high	32 Å²	32	114.3 Å²	114.3	22%	0.224	56%	0.555	C	S	.	*			trans	-142.9	134	175.3	-169.9	0	0	0	0	110.7	Y78 L79	S76-Y78 PolarHBondContact O-N 3.01Å; S76-Y78 VanDerWaalsContact O-N 3.1Å; S76-L79 PolarHBondContact O-N 2.53Å; S76-L79 VanDerWaalsContact O-N 3.07Å
77	E	96.4	Very high	96.5	Very high	167 Å²	167	115.1 Å²	115.1	78%	0.78	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-21.1	176.6	-61.8	-176.5	169	0	0	113.2	K80	E77-K80 WeakPolarHBondContact O-CE 3.3Å
78	Y	96.3	Very high	96.6	Very high	167 Å²	167	114.1 Å²	114.1	66%	0.655	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-15.7	180	-60.7	-89.8	0	0	0	113.2	R20 S76	R20-Y78 VanDerWaalsContact CZ-CG 3.48Å; S76-Y78 PolarHBondContact O-N 3.01Å; S76-Y78 VanDerWaalsContact O-N 3.1Å
79	L	97	Very high	96.9	Very high	62 Å²	62	114.2 Å²	114.2	33%	0.325	56%	0.557	S	S	.	*			trans	-112.6	109	-175.8	-59.5	-179.9	0	0	0	109.2	F17 R20 T21 S76	F17-L79 HydrophobicContact CD2-CD1 4.39Å; F17-L79 HydrophobicContact CD2-CD2 3.63Å; F17-L79 HydrophobicContact CE2-CD2 3.94Å; F17-L79 HydrophobicContact CG-CD2 4.28Å; R20-L79 HydrophobicContact CB-CD1 4.04Å; T21-L79 HydrophobicContact CG2-CD1 3.87Å; S76-L79 PolarHBondContact O-N 2.53Å; S76-L79 VanDerWaalsContact O-N 3.07Å
80	K	97.6	Very high	97	Very high	133 Å²	133	110.3 Å²	110.3	58%	0.578	55%	0.552	S	S	*	*			trans	-133.5	150	-178	-61	-176.2	-176.3	177.8	0	110.6	E77 N82	E77-K80 WeakPolarHBondContact O-CE 3.3Å; K80-N82 HydrophobicContact CB-CB 4.33Å; K80-N82 PolarHBondContact O-N 3.06Å; K80-N82 PolarHBondContact O-OD1 3.48Å; K80-N82 VanDerWaalsContact O-OD1 3.13Å
81	H	97.5	Very high	96.8	Very high	147 Å²	147	109.3 Å²	109.3	68%	0.681	56%	0.555	S	S	*	*	S	Bend	trans	-77.6	56.6	170.8	-53.6	84.2	0	0	0	111.6	S88	H81-S88 PolarHBondContact NE2-OG 3.39Å
82	N	97.1	Very high	96.8	Very high	124 Å²	124	112.1 Å²	112.1	66%	0.663	57%	0.571	S	S	*	*			trans	-98.7	-9.2	-174.5	63.2	-12.1	0	0	0	114	K80	K80-N82 HydrophobicContact CB-CB 4.33Å; K80-N82 PolarHBondContact O-N 3.06Å; K80-N82 PolarHBondContact O-OD1 3.48Å; K80-N82 VanDerWaalsContact O-OD1 3.13Å
83	V	97.8	Very high	96.8	Very high	99 Å²	99	110.3 Å²	110.3	60%	0.6	57%	0.565	S	S	*	*	S	Bend	trans	-137.9	159	179	-63.1	0	0	0	0	111.1	V86	V83-V86 HydrophobicContact CG2-CG2 3.93Å; V83-V86 WeakPolarHBondContact O-CG2 3.33Å
84	R	97.6	Very high	96.7	Very high	252 Å²	252	111.8 Å²	111.8	95%	0.951	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	138	172.9	175	177.6	169.2	77.2	2.6	110.1
85	G	96.7	Very high	96.7	Very high	67 Å²	67	115.6 Å²	115.6	69%	0.691	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.3	4.1	174.2	0	0	0	0	0	114.6	V87	G85-V87 PolarHBondContact O-N 3.12Å
86	V	98	Very high	96.7	Very high	59 Å²	59	110.9 Å²	110.9	36%	0.358	58%	0.583	S	S	.	*			trans	-64.8	131.9	170.9	177.5	0	0	0	0	109.8	V83	V83-V86 HydrophobicContact CG2-CG2 3.93Å; V83-V86 WeakPolarHBondContact O-CG2 3.33Å
87	V	98.1	Very high	96.7	Very high	90 Å²	90	116.2 Å²	116.2	55%	0.545	61%	0.607	S	S	.	*			trans	-106.9	137.1	177.6	-178	0	0	0	0	108.6	I14 G85	I14-V87 HydrophobicContact CD1-CG2 4.21Å; I14-V87 HydrophobicContact CG1-CG2 4.4Å; I14-V87 HydrophobicContact CG2-CB 4.45Å; I14-V87 HydrophobicContact CG2-CG2 4.06Å; G85-V87 PolarHBondContact O-N 3.12Å
88	S	98	Very high	96.8	Very high	71 Å²	71	112.6 Å²	112.6	50%	0.497	60%	0.595	S	S	.	*			trans	-152.4	162	-178.4	-59.3	0	0	0	0	111.3	H81	H81-S88 PolarHBondContact NE2-OG 3.39Å
89	M	97.6	Very high	96.8	Very high	86 Å²	86	108.4 Å²	108.4	42%	0.424	59%	0.59	S	S	.	*			trans	-75.5	141.7	172.9	-65	-59.1	-65.3	0	0	110.8	T24 F71	T24-M89 HydrophobicContact CG2-CG 3.55Å; T24-M89 HydrophobicContact CG2-SD 4.21Å; F71-M89 HydrophobicContact CE1-CE 4.37Å; F71-M89 HydrophobicContact CZ-CE 4.19Å; F71-M89 HydrophobicContact CZ-CG 4.42Å
90	A	96.1	Very high	96.8	Very high	65 Å²	65	112.3 Å²	112.3	54%	0.537	61%	0.612	S	S	.	*			trans	-85.5	144.7	164	0	0	0	0	0	109.2
91	N	89.4	Confident	96.7	Very high	154 Å²	154	110.4 Å²	110.4	82%	0.824	62%	0.615	S	S	*	*			trans	-131.9	0	178.4	64	25.6	0	0	0	113.7	K70 D73	K70-N91 PolarHBondContact NZ-OXT 3.09Å; D73-N91 PolarHBondContact OD1-ND2 2.96Å

Retrieved 91 of 91 residues in 148.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).