IF1_ECOLI Loading...

Translation initiation factor IF-1

One of the essential components for the initiation of protein synthesis. Binds in the vicinity of the A-site. Stabilizes the binding of IF-2 and IF-3 on the 30S subunit to which N-formylmethionyl-tRNA(fMet) subsequently binds. Helps modulate mRNA selection, yielding the 30S pre-initiation complex (PIC). Upon addition of the 50S ribosomal subunit, IF-1, IF-2 and IF-3 are released leaving the mature 70S translation initiation complex.

AlphaFold DB , UniProt , Accession P69222, Species ECOLI (Escherichia coli (strain K12)), Gene infA, Length 72 aa.

						>IF1_ECOLI|P69222|infA
MAKEDNIEMQGTVLETLPNTMFRVELENGHVVTAHISGKMRKNYIRILTGDKVTVELTPYDLSKGRIVFRSR
					

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	39	Very low	71.8	Confident	246 Å²	246	109.1 Å²	109.1	100%	1.212	55%	0.554	S	S	*	*				0	118.1	0	-84.3	89	164.8	0	0	107.9
2	A	46.9	Very low	73.6	Confident	73 Å²	73	104.2 Å²	104.2	60%	0.603	53%	0.533	S	S	*	.			cis	-114.5	128.5	-6.8	0	0	0	0	0	108	E4	A2-E4 HydrophobicContact CB-CG 4.12Å; A2-E4 PolarHBondContact O-N 2.68Å
3	K	51.3	Low	75.2	Confident	207 Å²	207	96.2 Å²	96.2	90%	0.9	49%	0.493	S	S	*	.			trans	-79	76.5	161.1	-84.7	-175.6	176.1	-173.6	0	105	D5	K3-D5 PolarHBondContact O-N 2.96Å
4	E	59.7	Low	76.5	Confident	88 Å²	88	94.9 Å²	94.9	41%	0.411	49%	0.486	S	S	.	.			trans	-60.7	122	164.4	-76.5	163.8	75	0	0	106.3	A2 N6 Y60	A2-E4 HydrophobicContact CB-CG 4.12Å; A2-E4 PolarHBondContact O-N 2.68Å; E4-N6 VanDerWaalsContact C-N 3.29Å; E4-N6 PolarHBondContact O-N 3.46Å; E4-N6 PolarHBondContact O-ND2 2.69Å; E4-Y60 WeakPolarHBondContact OE1-CE2 3.39Å; E4-Y60 PolarHBondContact OE1-OH 2.84Å
5	D	67.1	Low	77.5	Confident	140 Å²	140	93.5 Å²	93.5	75%	0.749	48%	0.477	S	S	*	.			trans	-55.5	86.2	-173.6	-63	-84.1	0	0	0	111	K3 I7	K3-D5 PolarHBondContact O-N 2.96Å; D5-I7 PolarHBondContact O-N 2.94Å
6	N	75.3	Confident	78.4	Confident	69 Å²	69	92.8 Å²	92.8	37%	0.369	48%	0.479	S	S	.	.			trans	-65.7	128.4	167.9	-64.8	-70.3	0	0	0	107	E4 E8 E56 L57	E4-N6 VanDerWaalsContact C-N 3.29Å; E4-N6 PolarHBondContact O-N 3.46Å; E4-N6 PolarHBondContact O-ND2 2.69Å; N6-E8 PolarHBondContact O-N 2.95Å; N6-E56 HydrophobicContact CB-CB 4.24Å; N6-E56 HydrophobicContact CB-CG 4.41Å; N6-L57 WeakPolarHBondContact CA-O 3.45Å
7	I	84.1	Confident	79.1	Confident	79 Å²	79	89.8 Å²	89.8	41%	0.405	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.3	-178.2	-55.5	174.9	0	0	0	106.6	D5 M9 E56 L57 L62	D5-I7 PolarHBondContact O-N 2.94Å; I7-M9 HydrophobicContact CG2-CG 3.83Å; I7-M9 HydrophobicContact CG2-SD 4.28Å; I7-E56 WeakPolarHBondContact O-CA 3.47Å; I7-L57 HydrophobicContact CB-CB 4.37Å; I7-L57 PolarHBondContact N-O 3.24Å; I7-L57 PolarHBondContact O-N 3.14Å; I7-L62 HydrophobicContact CD1-CD2 4.14Å
8	E	89.2	Confident	79.5	Confident	137 Å²	137	90.3 Å²	90.3	64%	0.64	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	119.9	172.9	-71.1	-178.5	-148.8	0	0	109.6	N6 T54 E56	N6-E8 PolarHBondContact O-N 2.95Å; E8-T54 HydrophobicContact CB-CG2 4.48Å; E8-E56 HydrophobicContact CG-CG 3.76Å
9	M	90.7	Very high	79.9	Confident	45 Å²	45	92.7 Å²	92.7	22%	0.222	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.2	176.2	-65.1	-166.8	67.9	0	0	110.8	I7 L26 N28 V55 L57	I7-M9 HydrophobicContact CG2-CG 3.83Å; I7-M9 HydrophobicContact CG2-SD 4.28Å; M9-L26 HydrophobicContact CB-CD2 3.9Å; M9-L26 HydrophobicContact CE-CB 4.45Å; M9-L26 HydrophobicContact CE-CD1 4.45Å; M9-L26 HydrophobicContact SD-CD1 4.06Å; M9-N28 HydrophobicContact CE-CB 4.21Å; M9-V55 PolarHBondContact N-O 3.45Å; M9-V55 PolarHBondContact O-N 3.44Å; M9-L57 HydrophobicContact CG-CD1 4.16Å; M9-L57 HydrophobicContact SD-CD1 3.67Å
10	Q	92.5	Very high	80.1	Confident	109 Å²	109	91.4 Å²	91.4	51%	0.509	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	147.2	171.2	-61	-170.7	10	0	0	110	E27	Q10-E27 HydrophobicContact CB-CG 4.3Å; Q10-E27 PolarHBondContact O-N 3.09Å; Q10-E27 VanDerWaalsContact O-N 3.14Å
11	G	93.7	Very high	80.6	Confident	7 Å²	7	90.2 Å²	90.2	7%	0.072	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	170.3	175.8	0	0	0	0	0	112.9	E25 K52 V53	G11-E25 CarbonylContact C-O 3.45Å; G11-E25 WeakPolarHBondContact CA-O 3.38Å; G11-K52 WeakPolarHBondContact O-CA 3.22Å; G11-V53 PolarHBondContact N-O 2.98Å; G11-V53 PolarHBondContact O-N 3.18Å; G11-V53 VanDerWaalsContact O-O 3.14Å
12	T	93.8	Very high	83.2	Confident	50 Å²	50	79.4 Å²	79.4	31%	0.307	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	134	179.3	-52.2	0	0	0	0	109.7	L14 V24 E25 D51	T12-L14 PolarHBondContact O-N 3.21Å; T12-V24 CarbonylContact O-C 3.58Å; T12-V24 WeakPolarHBondContact O-CA 3.48Å; T12-E25 PolarHBondContact N-O 3.2Å; T12-E25 PolarHBondContact O-N 3.09Å; T12-D51 WeakPolarHBondContact CA-O 3.24Å
13	V	93.9	Very high	85.4	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.006	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	117.9	178.6	179.4	0	0	0	0	109.3	F22 R23 V24 I47 G50 D51 V53	V13-F22 HydrophobicContact CG1-CB 4.38Å; V13-F22 HydrophobicContact CG1-CD1 4.08Å; V13-R23 CarbonylContact C-O 3.58Å; V13-R23 WeakPolarHBondContact CA-O 3.46Å; V13-V24 HydrophobicContact CG2-CG2 4.21Å; V13-I47 HydrophobicContact CB-CG2 4.29Å; V13-I47 HydrophobicContact CG1-CG2 4.15Å; V13-I47 HydrophobicContact CG2-CG2 3.55Å; V13-G50 PolarHBondContact O-N 2.78Å; V13-D51 HydrophobicContact CG2-CB 4.46Å; V13-D51 WeakPolarHBondContact CG2-O 3.42Å; V13-D51 PolarHBondContact N-O 2.89Å; V13-V53 HydrophobicContact CG2-CB 4.42Å; V13-V53 HydrophobicContact CG2-CG1 3.77Å; V13-V53 HydrophobicContact CG2-CG2 3.72Å
14	L	93.3	Very high	87.4	Confident	77 Å²	77	70.6 Å²	70.6	40%	0.403	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-53.8	177.6	-67.6	179.1	0	0	0	111.4	T12 R23 E25 V31 T49	T12-L14 PolarHBondContact O-N 3.21Å; L14-R23 PolarHBondContact N-O 3.43Å; L14-E25 HydrophobicContact CD1-CB 3.84Å; L14-E25 HydrophobicContact CD2-CB 4.23Å; L14-E25 HydrophobicContact CG-CB 3.87Å; L14-V31 HydrophobicContact CD1-CG2 4.2Å; L14-T49 VanDerWaalsContact O-CG2 3.31Å; L14-T49 WeakPolarHBondContact O-CG2 3.21Å
15	E	92.6	Very high	89	Confident	74 Å²	74	70.2 Å²	70.2	35%	0.346	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	152.5	-174.1	59.1	174.3	112.8	0	0	112	R23	E15-R23 VanDerWaalsContact CD-CD 3.4Å; E15-R23 VanDerWaalsContact CD-NH2 3.3Å; E15-R23 HydrophobicContact CG-CB 3.63Å; E15-R23 HydrophobicContact CG-CG 3.62Å; E15-R23 PolarHBondContact O-N 2.75Å; E15-R23 VanDerWaalsContact OE1-CD 3.24Å; E15-R23 WeakPolarHBondContact OE1-CD 3.32Å; E15-R23 IonicContact OE1-CZ 3.18Å; E15-R23 IonicContact OE1-NE 3.01Å; E15-R23 PolarHBondContact OE1-NE 3.32Å; E15-R23 IonicContact OE1-NH1 2.98Å; E15-R23 PolarHBondContact OE1-NH1 2.98Å; E15-R23 IonicContact OE1-NH2 2.77Å; E15-R23 PolarHBondContact OE1-NH2 3.12Å; E15-R23 IonicContact OE2-CZ 3.23Å; E15-R23 IonicContact OE2-NE 2.73Å; E15-R23 PolarHBondContact OE2-NE 2.89Å; E15-R23 IonicContact OE2-NH2 3.14Å; E15-R23 PolarHBondContact OE2-NH2 2.77Å
16	T	91.2	Very high	90.2	Very high	82 Å²	82	63.8 Å²	63.8	50%	0.503	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.6	174.5	58.3	0	0	0	0	109.9	F22 T49	T16-F22 HydrophobicContact CG2-CD1 3.81Å; T16-F22 HydrophobicContact CG2-CE1 3.63Å; T16-T49 HydrophobicContact CG2-CG2 4.34Å
17	L	89.9	Confident	90.8	Very high	42 Å²	42	67.6 Å²	67.6	22%	0.22	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	157.1	178.1	-71.9	171.6	0	0	0	111.4	M21 R23 T33	L17-M21 WeakPolarHBondContact CA-O 2.96Å; L17-M21 HydrophobicContact CB-CB 3.88Å; L17-M21 WeakPolarHBondContact CB-O 3.49Å; L17-M21 HydrophobicContact CD1-CB 4.31Å; L17-M21 PolarHBondContact N-O 3.46Å; L17-R23 HydrophobicContact CD1-CG 3.61Å; L17-R23 HydrophobicContact CG-CG 4Å; L17-T33 HydrophobicContact CD1-CG2 4.09Å
18	P	86.7	Confident	91	Very high	100 Å²	100	67.8 Å²	67.8	65%	0.649	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	155.6	167.8	25.3	-32.8	0	0	0	110.8
19	N	86.3	Confident	90.9	Very high	135 Å²	135	63.8 Å²	63.8	72%	0.722	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	27.8	-177.4	-53.4	-27.8	0	0	0	116.6	M21	N19-M21 HydrophobicContact CB-CE 3.86Å; N19-M21 PolarHBondContact O-N 3.24Å
20	T	83.9	Confident	90.8	Very high	66 Å²	66	67.4 Å²	67.4	41%	0.405	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	30.7	178.4	-31.8	0	0	0	0	112.5	F22 I36	T20-F22 HydrophobicContact CG2-CE2 4.34Å; T20-I36 HydrophobicContact CG2-CD1 4.09Å; T20-I36 HydrophobicContact CG2-CG1 4.48Å
21	M	91.2	Very high	90.8	Very high	68 Å²	68	65.9 Å²	65.9	34%	0.335	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	152.1	173.8	-69.6	-170.9	-83.1	0	0	109.4	L17 N19 T33 A34	L17-M21 WeakPolarHBondContact CA-O 2.96Å; L17-M21 HydrophobicContact CB-CB 3.88Å; L17-M21 WeakPolarHBondContact CB-O 3.49Å; L17-M21 HydrophobicContact CD1-CB 4.31Å; L17-M21 PolarHBondContact N-O 3.46Å; N19-M21 HydrophobicContact CB-CE 3.86Å; N19-M21 PolarHBondContact O-N 3.24Å; M21-T33 HydrophobicContact CB-CG2 3.98Å; M21-T33 HydrophobicContact CG-CG2 4.21Å; M21-T33 HydrophobicContact SD-CG2 3.74Å; M21-A34 CarbonylContact C-O 3.34Å; M21-A34 WeakPolarHBondContact CA-O 3.47Å
22	F	92.8	Very high	90.8	Very high	19 Å²	19	65.7 Å²	65.7	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.8	-178.1	-63	-94	0	0	0	107.6	V13 T16 T20 V24 A34 I36 I47 I67	V13-F22 HydrophobicContact CG1-CB 4.38Å; V13-F22 HydrophobicContact CG1-CD1 4.08Å; T16-F22 HydrophobicContact CG2-CD1 3.81Å; T16-F22 HydrophobicContact CG2-CE1 3.63Å; T20-F22 HydrophobicContact CG2-CE2 4.34Å; F22-V24 HydrophobicContact CB-CG2 4.42Å; F22-A34 PolarHBondContact N-O 3.33Å; F22-A34 PolarHBondContact O-N 2.81Å; F22-I36 HydrophobicContact CD2-CD1 4.3Å; F22-I36 HydrophobicContact CD2-CG1 3.94Å; F22-I36 HydrophobicContact CE2-CD1 3.31Å; F22-I36 HydrophobicContact CE2-CG1 3.41Å; F22-I36 VanDerWaalsContact CE2-CG1 3.41Å; F22-I36 HydrophobicContact CZ-CD1 3.6Å; F22-I36 HydrophobicContact CZ-CG1 4.18Å; F22-I47 HydrophobicContact CD1-CB 4.3Å; F22-I47 HydrophobicContact CD1-CG2 4.02Å; F22-I47 HydrophobicContact CE1-CB 3.87Å; F22-I47 HydrophobicContact CE1-CG2 4.08Å; F22-I47 HydrophobicContact CZ-CB 4.26Å; F22-I67 HydrophobicContact CB-CD1 4.05Å; F22-I67 HydrophobicContact CD2-CD1 4.14Å; F22-I67 HydrophobicContact CG-CD1 4.18Å
23	R	93.4	Very high	90.7	Very high	94 Å²	94	65.8 Å²	65.8	36%	0.355	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.3	166.1	-62.3	-164.4	-147.8	-177.9	18.9	108.2	V13 L14 E15 L17 V31 V32	V13-R23 CarbonylContact C-O 3.58Å; V13-R23 WeakPolarHBondContact CA-O 3.46Å; L14-R23 PolarHBondContact N-O 3.43Å; E15-R23 VanDerWaalsContact CD-CD 3.4Å; E15-R23 VanDerWaalsContact CD-NH2 3.3Å; E15-R23 HydrophobicContact CG-CB 3.63Å; E15-R23 HydrophobicContact CG-CG 3.62Å; E15-R23 PolarHBondContact O-N 2.75Å; E15-R23 VanDerWaalsContact OE1-CD 3.24Å; E15-R23 WeakPolarHBondContact OE1-CD 3.32Å; E15-R23 IonicContact OE1-CZ 3.18Å; E15-R23 IonicContact OE1-NE 3.01Å; E15-R23 PolarHBondContact OE1-NE 3.32Å; E15-R23 IonicContact OE1-NH1 2.98Å; E15-R23 PolarHBondContact OE1-NH1 2.98Å; E15-R23 IonicContact OE1-NH2 2.77Å; E15-R23 PolarHBondContact OE1-NH2 3.12Å; E15-R23 IonicContact OE2-CZ 3.23Å; E15-R23 IonicContact OE2-NE 2.73Å; E15-R23 PolarHBondContact OE2-NE 2.89Å; E15-R23 IonicContact OE2-NH2 3.14Å; E15-R23 PolarHBondContact OE2-NH2 2.77Å; L17-R23 HydrophobicContact CD1-CG 3.61Å; L17-R23 HydrophobicContact CG-CG 4Å; R23-V31 HydrophobicContact CB-CG1 4.13Å; R23-V32 WeakPolarHBondContact CA-O 3.49Å
24	V	94.1	Very high	90.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.5	178.5	-174.6	0	0	0	0	107.8	T12 V13 F22 V31 V32 A34 V53 V55 I67	T12-V24 CarbonylContact O-C 3.58Å; T12-V24 WeakPolarHBondContact O-CA 3.48Å; V13-V24 HydrophobicContact CG2-CG2 4.21Å; F22-V24 HydrophobicContact CB-CG2 4.42Å; V24-V31 WeakPolarHBondContact O-CA 3.38Å; V24-V32 HydrophobicContact CB-CG2 4.09Å; V24-V32 PolarHBondContact N-O 3.19Å; V24-V32 WeakPolarHBondContact O-CG2 3.23Å; V24-V32 PolarHBondContact O-N 3.02Å; V24-A34 HydrophobicContact CG2-CB 3.96Å; V24-V53 HydrophobicContact CG1-CG2 3.72Å; V24-V53 HydrophobicContact CG2-CG2 3.98Å; V24-V55 HydrophobicContact CB-CG2 4.17Å; V24-V55 HydrophobicContact CG1-CG2 3.79Å; V24-V55 HydrophobicContact CG2-CG2 4.14Å; V24-I67 HydrophobicContact CG2-CD1 4.22Å
25	E	94.1	Very high	90.6	Very high	80 Å²	80	66.1 Å²	66.1	37%	0.374	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.9	168.2	-176	173	-116.4	0	0	108.6	G11 T12 L14	G11-E25 CarbonylContact C-O 3.45Å; G11-E25 WeakPolarHBondContact CA-O 3.38Å; T12-E25 PolarHBondContact N-O 3.2Å; T12-E25 PolarHBondContact O-N 3.09Å; L14-E25 HydrophobicContact CD1-CB 3.84Å; L14-E25 HydrophobicContact CD2-CB 4.23Å; L14-E25 HydrophobicContact CG-CB 3.87Å
26	L	92.3	Very high	90.5	Very high	6 Å²	6	63.3 Å²	63.3	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	158.8	176.1	-63.9	177.5	0	0	0	110.4	M9 N28 G29 H30 V32 V55 L57	M9-L26 HydrophobicContact CB-CD2 3.9Å; M9-L26 HydrophobicContact CE-CB 4.45Å; M9-L26 HydrophobicContact CE-CD1 4.45Å; M9-L26 HydrophobicContact SD-CD1 4.06Å; L26-N28 WeakPolarHBondContact CB-OD1 3.31Å; L26-N28 PolarHBondContact O-N 2.83Å; L26-G29 PolarHBondContact O-N 3.42Å; L26-H30 WeakPolarHBondContact CB-O 3.49Å; L26-H30 HydrophobicContact CD1-CB 4.41Å; L26-H30 PolarHBondContact N-O 3.41Å; L26-V32 HydrophobicContact CD1-CG1 3.59Å; L26-V32 HydrophobicContact CD1-CG2 4.16Å; L26-V32 HydrophobicContact CD2-CG2 4.05Å; L26-V32 HydrophobicContact CG-CG1 4.14Å; L26-V32 HydrophobicContact CG-CG2 3.93Å; L26-V55 HydrophobicContact CD2-CB 4.37Å; L26-L57 HydrophobicContact CD1-CD1 3.82Å; L26-L57 HydrophobicContact CD1-CD2 4.44Å
27	E	87.8	Confident	90.5	Very high	148 Å²	148	60.4 Å²	60.4	69%	0.692	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.4	177.8	-71.3	-176.9	161.4	0	0	114.2	Q10 G29	Q10-E27 HydrophobicContact CB-CG 4.3Å; Q10-E27 PolarHBondContact O-N 3.09Å; Q10-E27 VanDerWaalsContact O-N 3.14Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 2.96Å
28	N	86.7	Confident	90.4	Very high	84 Å²	84	60.7 Å²	60.7	45%	0.449	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	2	174.7	64.9	-0.8	0	0	0	113.7	M9 L26 H30	M9-N28 HydrophobicContact CE-CB 4.21Å; L26-N28 WeakPolarHBondContact CB-OD1 3.31Å; L26-N28 PolarHBondContact O-N 2.83Å; N28-H30 VanDerWaalsContact C-N 3.34Å; N28-H30 VanDerWaalsContact CG-CD2 3.42Å; N28-H30 PolarHBondContact ND2-CD2 2.92Å; N28-H30 WeakPolarHBondContact OD1-CB 3.08Å; N28-H30 PolarHBondContact OD1-CD2 2.94Å; N28-H30 PolarHBondContact OD1-N 2.83Å; N28-H30 VanDerWaalsContact OD1-N 3.1Å
29	G	87.2	Confident	90.5	Very high	52 Å²	52	63.2 Å²	63.2	54%	0.536	34%	0.339	S	S	.	.	S	Bend	trans	82.9	4.5	-178.7	0	0	0	0	0	114.8	L26 E27	L26-G29 PolarHBondContact O-N 3.42Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 2.96Å
30	H	89.7	Confident	90.6	Very high	122 Å²	122	57 Å²	57	57%	0.565	31%	0.306	S	S	*	.			trans	-85.1	135.5	175.2	-72	-92.6	0	0	0	111.3	L26 N28	L26-H30 WeakPolarHBondContact CB-O 3.49Å; L26-H30 HydrophobicContact CD1-CB 4.41Å; L26-H30 PolarHBondContact N-O 3.41Å; N28-H30 VanDerWaalsContact C-N 3.34Å; N28-H30 VanDerWaalsContact CG-CD2 3.42Å; N28-H30 PolarHBondContact ND2-CD2 2.92Å; N28-H30 WeakPolarHBondContact OD1-CB 3.08Å; N28-H30 PolarHBondContact OD1-CD2 2.94Å; N28-H30 PolarHBondContact OD1-N 2.83Å; N28-H30 VanDerWaalsContact OD1-N 3.1Å
31	V	92.1	Very high	90.7	Very high	77 Å²	77	60.3 Å²	60.3	47%	0.467	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.2	173.5	-176.8	0	0	0	0	109.2	L14 R23 V24	L14-V31 HydrophobicContact CD1-CG2 4.2Å; R23-V31 HydrophobicContact CB-CG1 4.13Å; V24-V31 WeakPolarHBondContact O-CA 3.38Å
32	V	92.7	Very high	90.7	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.2	179.2	-59.5	0	0	0	0	110.9	R23 V24 L26 V55 L57 L62 S63	R23-V32 WeakPolarHBondContact CA-O 3.49Å; V24-V32 HydrophobicContact CB-CG2 4.09Å; V24-V32 PolarHBondContact N-O 3.19Å; V24-V32 WeakPolarHBondContact O-CG2 3.23Å; V24-V32 PolarHBondContact O-N 3.02Å; L26-V32 HydrophobicContact CD1-CG1 3.59Å; L26-V32 HydrophobicContact CD1-CG2 4.16Å; L26-V32 HydrophobicContact CD2-CG2 4.05Å; L26-V32 HydrophobicContact CG-CG1 4.14Å; L26-V32 HydrophobicContact CG-CG2 3.93Å; V32-V55 HydrophobicContact CG2-CG1 4.44Å; V32-L57 HydrophobicContact CB-CD2 4.33Å; V32-L57 HydrophobicContact CG1-CD2 4.06Å; V32-L57 HydrophobicContact CG2-CD2 4.27Å; V32-L62 WeakPolarHBondContact CG1-O 3.48Å; V32-S63 WeakPolarHBondContact CA-O 3.4Å
33	T	93.1	Very high	90.6	Very high	52 Å²	52	69.3 Å²	69.3	32%	0.319	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.4	172.2	-57.6	0	0	0	0	108.7	L17 M21 S63 K64 G65	L17-T33 HydrophobicContact CD1-CG2 4.09Å; M21-T33 HydrophobicContact CB-CG2 3.98Å; M21-T33 HydrophobicContact CG-CG2 4.21Å; M21-T33 HydrophobicContact SD-CG2 3.74Å; T33-S63 PolarHBondContact N-O 3.37Å; T33-K64 WeakPolarHBondContact O-CA 3.18Å; T33-G65 PolarHBondContact O-N 2.75Å
34	A	92.9	Very high	90.2	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.3	-178.4	0	0	0	0	0	111.9	M21 F22 V24 V55 G65 I67	M21-A34 CarbonylContact C-O 3.34Å; M21-A34 WeakPolarHBondContact CA-O 3.47Å; F22-A34 PolarHBondContact N-O 3.33Å; F22-A34 PolarHBondContact O-N 2.81Å; V24-A34 HydrophobicContact CG2-CB 3.96Å; A34-V55 HydrophobicContact CB-CG1 3.91Å; A34-V55 HydrophobicContact CB-CG2 4.36Å; A34-G65 WeakPolarHBondContact CA-O 3.37Å; A34-I67 HydrophobicContact CB-CD1 4.08Å; A34-I67 HydrophobicContact CB-CG1 3.6Å
35	H	91.8	Very high	89.9	Confident	85 Å²	85	77.8 Å²	77.8	39%	0.394	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.6	171.9	65.9	-79.2	0	0	0	110.2	G65 R66 I67	H35-G65 PolarHBondContact CE1-O 2.76Å; H35-G65 PolarHBondContact N-O 3.06Å; H35-G65 PolarHBondContact ND1-O 3.01Å; H35-R66 CarbonylContact O-C 3.58Å; H35-R66 WeakPolarHBondContact O-CA 3.47Å; H35-I67 PolarHBondContact O-N 2.86Å
36	I	91.4	Very high	89.5	Confident	15 Å²	15	83.9 Å²	83.9	8%	0.077	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.9	179.3	-62.6	176.4	0	0	0	110.4	T20 F22 M40 R41 I47	T20-I36 HydrophobicContact CG2-CD1 4.09Å; T20-I36 HydrophobicContact CG2-CG1 4.48Å; F22-I36 HydrophobicContact CD2-CD1 4.3Å; F22-I36 HydrophobicContact CD2-CG1 3.94Å; F22-I36 HydrophobicContact CE2-CD1 3.31Å; F22-I36 HydrophobicContact CE2-CG1 3.41Å; F22-I36 VanDerWaalsContact CE2-CG1 3.41Å; F22-I36 HydrophobicContact CZ-CD1 3.6Å; F22-I36 HydrophobicContact CZ-CG1 4.18Å; I36-M40 HydrophobicContact CG2-CB 3.3Å; I36-M40 HydrophobicContact CG2-CG 4.33Å; I36-M40 HydrophobicContact CG2-SD 4.41Å; I36-R41 HydrophobicContact CB-CG 4.27Å; I36-R41 HydrophobicContact CG2-CG 3.84Å; I36-I47 HydrophobicContact CD1-CD1 3.99Å; I36-I47 HydrophobicContact CD1-CG1 4.35Å; I36-I47 HydrophobicContact CG1-CD1 3.76Å
37	S	89.7	Confident	89.4	Confident	20 Å²	20	84.2 Å²	84.2	14%	0.14	41%	0.412	C	S	.	.			trans	-59.3	145.2	171.2	177.9	0	0	0	0	111.9	K39 M40 R41 I67	S37-K39 PolarHBondContact O-N 2.99Å; S37-M40 WeakPolarHBondContact O-CB 3.49Å; S37-M40 PolarHBondContact O-N 3.36Å; S37-R41 PolarHBondContact O-N 2.84Å; S37-R41 VanDerWaalsContact O-N 3.09Å; S37-I67 WeakPolarHBondContact CB-O 3.1Å; S37-I67 PolarHBondContact N-O 3.12Å
38	G	88.5	Confident	89.4	Confident	48 Å²	48	82.3 Å²	82.3	50%	0.495	41%	0.406	S	S	.	.	H	α-helix	trans	-54.8	-30	178.7	0	0	0	0	0	113.7	R41 K42	G38-R41 PolarHBondContact O-N 2.94Å; G38-K42 WeakPolarHBondContact O-CG 3.46Å; G38-K42 PolarHBondContact O-N 3.06Å
39	K	88.8	Confident	89.7	Confident	153 Å²	153	82.5 Å²	82.5	67%	0.665	41%	0.41	S	S	*	.	H	α-helix	trans	-63.1	-48.1	174.2	-171	178.9	-179.4	-178.1	0	111.4	S37 R41 K42 N43	S37-K39 PolarHBondContact O-N 2.99Å; K39-R41 VanDerWaalsContact C-N 3.32Å; K39-R41 PolarHBondContact O-N 3.06Å; K39-K42 PolarHBondContact O-N 3.14Å; K39-N43 PolarHBondContact O-N 3.46Å; K39-N43 PolarHBondContact O-OD1 2.81Å
40	M	88.4	Confident	89.9	Confident	6 Å²	6	82.4 Å²	82.4	3%	0.03	41%	0.409	C	S	.	.	H	α-helix	trans	-64.5	-36.4	178	-66.9	-159.3	118.7	0	0	112.4	I36 S37 N43 Y44 I45 I67 R70	I36-M40 HydrophobicContact CG2-CB 3.3Å; I36-M40 HydrophobicContact CG2-CG 4.33Å; I36-M40 HydrophobicContact CG2-SD 4.41Å; S37-M40 WeakPolarHBondContact O-CB 3.49Å; S37-M40 PolarHBondContact O-N 3.36Å; M40-N43 CarbonylContact O-C 3.59Å; M40-N43 PolarHBondContact O-N 2.9Å; M40-Y44 PolarHBondContact O-N 2.83Å; M40-I45 HydrophobicContact CB-CB 4.4Å; M40-I45 HydrophobicContact CB-CD1 4.36Å; M40-I45 HydrophobicContact CE-CB 4.4Å; M40-I45 HydrophobicContact CE-CD1 3.73Å; M40-I45 HydrophobicContact CE-CG2 3.99Å; M40-I45 HydrophobicContact CG-CD1 4.15Å; M40-I45 PolarHBondContact O-N 2.66Å; M40-I45 VanDerWaalsContact O-N 3.12Å; M40-I67 HydrophobicContact SD-CG2 3.85Å; M40-R70 HydrophobicContact CE-CB 3.86Å
41	R	86.4	Confident	90	Very high	134 Å²	134	77.7 Å²	77.7	51%	0.506	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-45.7	172.1	-67.9	-171.8	-175.4	-170.8	-1.6	111.8	I36 S37 G38 K39 N43 Y44	I36-R41 HydrophobicContact CB-CG 4.27Å; I36-R41 HydrophobicContact CG2-CG 3.84Å; S37-R41 PolarHBondContact O-N 2.84Å; S37-R41 VanDerWaalsContact O-N 3.09Å; G38-R41 PolarHBondContact O-N 2.94Å; K39-R41 VanDerWaalsContact C-N 3.32Å; K39-R41 PolarHBondContact O-N 3.06Å; R41-N43 VanDerWaalsContact C-N 3.3Å; R41-N43 PolarHBondContact O-N 3.31Å; R41-Y44 PolarHBondContact O-N 2.86Å
42	K	90.6	Very high	90	Very high	176 Å²	176	80.3 Å²	80.3	77%	0.765	39%	0.393	S	S	*	.	H	α-helix	trans	-63.4	-34.7	176.7	-74.5	-175.9	178.6	-174	0	112.7	G38 K39 Y44	G38-K42 WeakPolarHBondContact O-CG 3.46Å; G38-K42 PolarHBondContact O-N 3.06Å; K39-K42 PolarHBondContact O-N 3.14Å; K42-Y44 VanDerWaalsContact C-N 3.26Å; K42-Y44 WeakPolarHBondContact O-CD2 3.41Å; K42-Y44 PolarHBondContact O-N 2.84Å
43	N	90.3	Very high	90	Very high	100 Å²	100	80.3 Å²	80.3	54%	0.535	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	6	178.1	-75.5	94.8	0	0	0	113.9	K39 M40 R41 I45	K39-N43 PolarHBondContact O-N 3.46Å; K39-N43 PolarHBondContact O-OD1 2.81Å; M40-N43 CarbonylContact O-C 3.59Å; M40-N43 PolarHBondContact O-N 2.9Å; R41-N43 VanDerWaalsContact C-N 3.3Å; R41-N43 PolarHBondContact O-N 3.31Å; N43-I45 HydrophobicContact CB-CD1 3.97Å; N43-I45 HydrophobicContact CB-CG1 3.82Å; N43-I45 PolarHBondContact O-N 2.87Å; N43-I45 VanDerWaalsContact O-N 3.09Å
44	Y	86.3	Confident	90	Very high	209 Å²	209	79 Å²	79	82%	0.82	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	32.3	-178.4	-64.8	-89.4	0	0	0	113.8	M40 R41 K42 R46	M40-Y44 PolarHBondContact O-N 2.83Å; R41-Y44 PolarHBondContact O-N 2.86Å; K42-Y44 VanDerWaalsContact C-N 3.26Å; K42-Y44 WeakPolarHBondContact O-CD2 3.41Å; K42-Y44 PolarHBondContact O-N 2.84Å; Y44-R46 PolarHBondContact O-N 3.02Å; Y44-R46 VanDerWaalsContact O-N 3.14Å
45	I	87.2	Confident	90	Very high	63 Å²	63	79 Å²	79	32%	0.323	39%	0.385	S	S	.	.			trans	-72.9	112.3	179.7	-58	174.9	0	0	0	107.9	M40 N43	M40-I45 HydrophobicContact CB-CB 4.4Å; M40-I45 HydrophobicContact CB-CD1 4.36Å; M40-I45 HydrophobicContact CE-CB 4.4Å; M40-I45 HydrophobicContact CE-CD1 3.73Å; M40-I45 HydrophobicContact CE-CG2 3.99Å; M40-I45 HydrophobicContact CG-CD1 4.15Å; M40-I45 PolarHBondContact O-N 2.66Å; M40-I45 VanDerWaalsContact O-N 3.12Å; N43-I45 HydrophobicContact CB-CD1 3.97Å; N43-I45 HydrophobicContact CB-CG1 3.82Å; N43-I45 PolarHBondContact O-N 2.87Å; N43-I45 VanDerWaalsContact O-N 3.09Å
46	R	86.7	Confident	90	Very high	208 Å²	208	76.3 Å²	76.3	79%	0.785	37%	0.373	S	S	*	.			trans	-80.6	137.5	173.2	-63.7	-177.8	179.2	-174.8	-1.2	108.8	Y44 R70	Y44-R46 PolarHBondContact O-N 3.02Å; Y44-R46 VanDerWaalsContact O-N 3.14Å; R46-R70 PolarHBondContact O-NH1 2.55Å
47	I	88.6	Confident	89.9	Confident	13 Å²	13	75.8 Å²	75.8	7%	0.067	37%	0.37	C	S	.	.			trans	-111.9	129.5	173.8	-59.5	-177.9	0	0	0	106.7	V13 F22 I36 D51 V53 I67	V13-I47 HydrophobicContact CB-CG2 4.29Å; V13-I47 HydrophobicContact CG1-CG2 4.15Å; V13-I47 HydrophobicContact CG2-CG2 3.55Å; F22-I47 HydrophobicContact CD1-CB 4.3Å; F22-I47 HydrophobicContact CD1-CG2 4.02Å; F22-I47 HydrophobicContact CE1-CB 3.87Å; F22-I47 HydrophobicContact CE1-CG2 4.08Å; F22-I47 HydrophobicContact CZ-CB 4.26Å; I36-I47 HydrophobicContact CD1-CD1 3.99Å; I36-I47 HydrophobicContact CD1-CG1 4.35Å; I36-I47 HydrophobicContact CG1-CD1 3.76Å; I47-D51 HydrophobicContact CG2-CB 4.44Å; I47-V53 HydrophobicContact CG2-CG1 4.35Å; I47-I67 HydrophobicContact CD1-CB 4.32Å; I47-I67 HydrophobicContact CD1-CD1 3.59Å; I47-I67 HydrophobicContact CD1-CG2 3.87Å
48	L	89.3	Confident	89.6	Confident	108 Å²	108	77.4 Å²	77.4	57%	0.565	38%	0.379	S	S	*	.			trans	-110	160.3	176.7	-65.5	167.4	0	0	0	109.6	G50 D51	L48-G50 PolarHBondContact O-N 2.81Å; L48-D51 PolarHBondContact N-OD2 3.34Å; L48-D51 WeakPolarHBondContact O-CB 3.46Å; L48-D51 PolarHBondContact O-N 2.88Å
49	T	91.5	Very high	89.2	Confident	88 Å²	88	78.2 Å²	78.2	54%	0.54	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	131.6	170.1	52.6	0	0	0	0	109.7	L14 T16	L14-T49 VanDerWaalsContact O-CG2 3.31Å; L14-T49 WeakPolarHBondContact O-CG2 3.21Å; T16-T49 HydrophobicContact CG2-CG2 4.34Å
50	G	91.1	Very high	89	Confident	50 Å²	50	80 Å²	80	52%	0.515	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.7	-6.5	-175.4	0	0	0	0	0	114.6	V13 L48	V13-G50 PolarHBondContact O-N 2.78Å; L48-G50 PolarHBondContact O-N 2.81Å
51	D	92	Very high	88.7	Confident	23 Å²	23	82 Å²	82	12%	0.123	39%	0.39	C	S	.	.			trans	-70.4	137.9	177.1	-78.1	-33.9	0	0	0	111.8	T12 V13 I47 L48 V53 R70	T12-D51 WeakPolarHBondContact CA-O 3.24Å; V13-D51 HydrophobicContact CG2-CB 4.46Å; V13-D51 WeakPolarHBondContact CG2-O 3.42Å; V13-D51 PolarHBondContact N-O 2.89Å; I47-D51 HydrophobicContact CG2-CB 4.44Å; L48-D51 PolarHBondContact N-OD2 3.34Å; L48-D51 WeakPolarHBondContact O-CB 3.46Å; L48-D51 PolarHBondContact O-N 2.88Å; D51-V53 HydrophobicContact CB-CG1 4.42Å; D51-R70 IonicContact OD1-CZ 3.25Å; D51-R70 VanDerWaalsContact OD1-CZ 3.25Å; D51-R70 IonicContact OD1-NE 3.24Å; D51-R70 PolarHBondContact OD1-NE 3.47Å; D51-R70 IonicContact OD1-NH2 2.68Å; D51-R70 PolarHBondContact OD1-NH2 2.99Å; D51-R70 IonicContact OD2-CZ 2.85Å; D51-R70 IonicContact OD2-NE 2.94Å; D51-R70 PolarHBondContact OD2-NE 3.23Å; D51-R70 IonicContact OD2-NH1 3.46Å; D51-R70 PolarHBondContact OD2-NH1 3.47Å; D51-R70 IonicContact OD2-NH2 2.96Å; D51-R70 PolarHBondContact OD2-NH2 2.49Å
52	K	92.9	Very high	88.6	Confident	133 Å²	133	80.5 Å²	80.5	58%	0.578	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	124.3	169.3	-68.6	-170.4	177.8	-168.4	0	110.2	G11 S71	G11-K52 WeakPolarHBondContact O-CA 3.22Å; K52-S71 PolarHBondContact O-N 2.73Å
53	V	93.3	Very high	88.4	Confident	2 Å²	2	75 Å²	75	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149	-175.9	-64.2	0	0	0	0	111.1	G11 V13 V24 I47 D51 V55 I67 F69 R70	G11-V53 PolarHBondContact N-O 2.98Å; G11-V53 PolarHBondContact O-N 3.18Å; G11-V53 VanDerWaalsContact O-O 3.14Å; V13-V53 HydrophobicContact CG2-CB 4.42Å; V13-V53 HydrophobicContact CG2-CG1 3.77Å; V13-V53 HydrophobicContact CG2-CG2 3.72Å; V24-V53 HydrophobicContact CG1-CG2 3.72Å; V24-V53 HydrophobicContact CG2-CG2 3.98Å; I47-V53 HydrophobicContact CG2-CG1 4.35Å; D51-V53 HydrophobicContact CB-CG1 4.42Å; V53-V55 HydrophobicContact CG2-CG2 3.98Å; V53-I67 HydrophobicContact CB-CG2 3.81Å; V53-I67 HydrophobicContact CG1-CG2 4.04Å; V53-I67 HydrophobicContact CG2-CD1 4.49Å; V53-I67 HydrophobicContact CG2-CG2 4.44Å; V53-F69 CarbonylContact C-O 3.58Å; V53-F69 WeakPolarHBondContact CA-O 3.5Å; V53-R70 HydrophobicContact CG1-CB 4.38Å; V53-R70 HydrophobicContact CG1-CG 4.43Å
54	T	93.1	Very high	88.3	Confident	26 Å²	26	76.1 Å²	76.1	16%	0.16	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.1	170	-49	0	0	0	0	108.4	E8 V68 F69	E8-T54 HydrophobicContact CB-CG2 4.48Å; T54-V68 PolarHBondContact O-N 3.38Å; T54-F69 PolarHBondContact N-O 2.82Å
55	V	92.8	Very high	88.5	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.5	-179.2	-173.2	0	0	0	0	109	M9 V24 L26 V32 A34 V53 L57 R66 I67	M9-V55 PolarHBondContact N-O 3.45Å; M9-V55 PolarHBondContact O-N 3.44Å; V24-V55 HydrophobicContact CB-CG2 4.17Å; V24-V55 HydrophobicContact CG1-CG2 3.79Å; V24-V55 HydrophobicContact CG2-CG2 4.14Å; L26-V55 HydrophobicContact CD2-CB 4.37Å; V32-V55 HydrophobicContact CG2-CG1 4.44Å; A34-V55 HydrophobicContact CB-CG1 3.91Å; A34-V55 HydrophobicContact CB-CG2 4.36Å; V53-V55 HydrophobicContact CG2-CG2 3.98Å; V55-L57 HydrophobicContact CG1-CD2 4.16Å; V55-R66 CarbonylContact C-O 3.56Å; V55-R66 WeakPolarHBondContact CA-O 3.28Å; V55-I67 HydrophobicContact CG2-CG1 4.34Å
56	E	91.6	Very high	88.8	Confident	28 Å²	28	68 Å²	68	13%	0.131	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.9	165	-77.3	175.7	169.6	0	0	109.1	N6 I7 E8 G65 R66 V68	N6-E56 HydrophobicContact CB-CB 4.24Å; N6-E56 HydrophobicContact CB-CG 4.41Å; I7-E56 WeakPolarHBondContact O-CA 3.47Å; E8-E56 HydrophobicContact CG-CG 3.76Å; E56-G65 CarbonylContact O-C 3.56Å; E56-G65 WeakPolarHBondContact O-CA 3.47Å; E56-R66 HydrophobicContact CB-CB 4.44Å; E56-R66 PolarHBondContact N-O 3.11Å; E56-R66 PolarHBondContact O-N 2.97Å; E56-R66 IonicContact OE2-CZ 3.02Å; E56-R66 VanDerWaalsContact OE2-CZ 3.23Å; E56-R66 IonicContact OE2-NE 3.34Å; E56-R66 PolarHBondContact OE2-NE 3.05Å; E56-R66 IonicContact OE2-NH2 2.91Å; E56-R66 PolarHBondContact OE2-NH2 2.81Å; E56-V68 HydrophobicContact CB-CG2 4.25Å; E56-V68 HydrophobicContact CG-CG2 3.67Å; E56-V68 VanDerWaalsContact OE2-CG2 3.23Å; E56-V68 WeakPolarHBondContact OE2-CG2 3.45Å
57	L	89.3	Confident	89.1	Confident	3 Å²	3	58 Å²	58	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.6	173.3	-59.5	169.5	0	0	0	109.7	N6 I7 M9 L26 V32 V55 L62	N6-L57 WeakPolarHBondContact CA-O 3.45Å; I7-L57 HydrophobicContact CB-CB 4.37Å; I7-L57 PolarHBondContact N-O 3.24Å; I7-L57 PolarHBondContact O-N 3.14Å; M9-L57 HydrophobicContact CG-CD1 4.16Å; M9-L57 HydrophobicContact SD-CD1 3.67Å; L26-L57 HydrophobicContact CD1-CD1 3.82Å; L26-L57 HydrophobicContact CD1-CD2 4.44Å; V32-L57 HydrophobicContact CB-CD2 4.33Å; V32-L57 HydrophobicContact CG1-CD2 4.06Å; V32-L57 HydrophobicContact CG2-CD2 4.27Å; V55-L57 HydrophobicContact CG1-CD2 4.16Å; L57-L62 HydrophobicContact CB-CD2 4.35Å; L57-L62 HydrophobicContact CD1-CD2 4.34Å
58	T	82.3	Confident	89.2	Confident	55 Å²	55	59.9 Å²	59.9	34%	0.337	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.1	170.7	59	0	0	0	0	109.4	Y60 D61	T58-Y60 PolarHBondContact O-N 2.82Å; T58-Y60 VanDerWaalsContact O-N 3.12Å; T58-D61 CarbonylContact O-C 3.45Å; T58-D61 PolarHBondContact O-N 2.77Å; T58-D61 PolarHBondContact OG1-N 3.01Å; T58-D61 PolarHBondContact OG1-O 3.34Å
59	P	80.9	Confident	89.2	Confident	65 Å²	65	60.6 Å²	60.6	42%	0.422	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.6	179.8	26.9	-34.8	0	0	0	112.8
60	Y	84.2	Confident	89.1	Confident	189 Å²	189	60.1 Å²	60.1	74%	0.741	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-31	178.2	-59.3	-74.3	0	0	0	113.9	E4 T58	E4-Y60 WeakPolarHBondContact OE1-CE2 3.39Å; E4-Y60 PolarHBondContact OE1-OH 2.84Å; T58-Y60 PolarHBondContact O-N 2.82Å; T58-Y60 VanDerWaalsContact O-N 3.12Å
61	D	82.9	Confident	88.6	Confident	48 Å²	48	60.4 Å²	60.4	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	92.6	-175.9	-172.9	-5.8	0	0	0	110.1	T58 S63 K64	T58-D61 CarbonylContact O-C 3.45Å; T58-D61 PolarHBondContact O-N 2.77Å; T58-D61 PolarHBondContact OG1-N 3.01Å; T58-D61 PolarHBondContact OG1-O 3.34Å; D61-S63 PolarHBondContact O-N 3.47Å; D61-S63 VanDerWaalsContact O-N 3.11Å; D61-S63 VanDerWaalsContact OD1-CB 3.28Å; D61-S63 WeakPolarHBondContact OD1-CB 3.06Å; D61-S63 PolarHBondContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.35Å; D61-S63 PolarHBondContact OD2-OG 3.04Å; D61-K64 PolarHBondContact O-N 3.23Å; D61-K64 VanDerWaalsContact O-N 3.11Å; D61-K64 VanDerWaalsContact O-O 3.12Å; D61-K64 WeakPolarHBondContact OD2-CG 3.33Å; D61-K64 IonicContact OD2-NZ 2.66Å; D61-K64 PolarHBondContact OD2-NZ 3.27Å
62	L	82.7	Confident	87.8	Confident	104 Å²	104	73.5 Å²	73.5	55%	0.545	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-9.1	177.9	-62.4	174.2	0	0	0	113.3	I7 V32 L57	I7-L62 HydrophobicContact CD1-CD2 4.14Å; V32-L62 WeakPolarHBondContact CG1-O 3.48Å; L57-L62 HydrophobicContact CB-CD2 4.35Å; L57-L62 HydrophobicContact CD1-CD2 4.34Å
63	S	87.1	Confident	87.6	Confident	60 Å²	60	70.6 Å²	70.6	42%	0.42	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-17.4	175.2	78.4	0	0	0	0	112.9	V32 T33 D61	V32-S63 WeakPolarHBondContact CA-O 3.4Å; T33-S63 PolarHBondContact N-O 3.37Å; D61-S63 PolarHBondContact O-N 3.47Å; D61-S63 VanDerWaalsContact O-N 3.11Å; D61-S63 VanDerWaalsContact OD1-CB 3.28Å; D61-S63 WeakPolarHBondContact OD1-CB 3.06Å; D61-S63 PolarHBondContact OD1-N 3.1Å; D61-S63 PolarHBondContact OD1-OG 3.35Å; D61-S63 PolarHBondContact OD2-OG 3.04Å
64	K	88.9	Confident	87.3	Confident	123 Å²	123	74.2 Å²	74.2	54%	0.535	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	133.4	-178.2	-66	-166.9	-169.9	93.7	0	111.1	T33 D61	T33-K64 WeakPolarHBondContact O-CA 3.18Å; D61-K64 PolarHBondContact O-N 3.23Å; D61-K64 VanDerWaalsContact O-N 3.11Å; D61-K64 VanDerWaalsContact O-O 3.12Å; D61-K64 WeakPolarHBondContact OD2-CG 3.33Å; D61-K64 IonicContact OD2-NZ 2.66Å; D61-K64 PolarHBondContact OD2-NZ 3.27Å
65	G	91.1	Very high	86.9	Confident	3 Å²	3	76.8 Å²	76.8	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	168.8	-179.2	0	0	0	0	0	114	T33 A34 H35 E56	T33-G65 PolarHBondContact O-N 2.75Å; A34-G65 WeakPolarHBondContact CA-O 3.37Å; H35-G65 PolarHBondContact CE1-O 2.76Å; H35-G65 PolarHBondContact N-O 3.06Å; H35-G65 PolarHBondContact ND1-O 3.01Å; E56-G65 CarbonylContact O-C 3.56Å; E56-G65 WeakPolarHBondContact O-CA 3.47Å
66	R	91.9	Very high	86.6	Confident	98 Å²	98	81.4 Å²	81.4	37%	0.37	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.6	171.2	-177.8	171.1	69.5	-171.8	3.2	109.6	H35 V55 E56 V68	H35-R66 CarbonylContact O-C 3.58Å; H35-R66 WeakPolarHBondContact O-CA 3.47Å; V55-R66 CarbonylContact C-O 3.56Å; V55-R66 WeakPolarHBondContact CA-O 3.28Å; E56-R66 HydrophobicContact CB-CB 4.44Å; E56-R66 PolarHBondContact N-O 3.11Å; E56-R66 PolarHBondContact O-N 2.97Å; E56-R66 IonicContact OE2-CZ 3.02Å; E56-R66 VanDerWaalsContact OE2-CZ 3.23Å; E56-R66 IonicContact OE2-NE 3.34Å; E56-R66 PolarHBondContact OE2-NE 3.05Å; E56-R66 IonicContact OE2-NH2 2.91Å; E56-R66 PolarHBondContact OE2-NH2 2.81Å; R66-V68 HydrophobicContact CG-CG2 4.39Å; R66-V68 PolarHBondContact O-N 3.11Å
67	I	92.6	Very high	86.3	Confident	0 Å²	0	84.7 Å²	84.7	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	116.5	175.4	-52.5	177.2	0	0	0	108.6	F22 V24 A34 H35 S37 M40 I47 V53 V55	F22-I67 HydrophobicContact CB-CD1 4.05Å; F22-I67 HydrophobicContact CD2-CD1 4.14Å; F22-I67 HydrophobicContact CG-CD1 4.18Å; V24-I67 HydrophobicContact CG2-CD1 4.22Å; A34-I67 HydrophobicContact CB-CD1 4.08Å; A34-I67 HydrophobicContact CB-CG1 3.6Å; H35-I67 PolarHBondContact O-N 2.86Å; S37-I67 WeakPolarHBondContact CB-O 3.1Å; S37-I67 PolarHBondContact N-O 3.12Å; M40-I67 HydrophobicContact SD-CG2 3.85Å; I47-I67 HydrophobicContact CD1-CB 4.32Å; I47-I67 HydrophobicContact CD1-CD1 3.59Å; I47-I67 HydrophobicContact CD1-CG2 3.87Å; V53-I67 HydrophobicContact CB-CG2 3.81Å; V53-I67 HydrophobicContact CG1-CG2 4.04Å; V53-I67 HydrophobicContact CG2-CD1 4.49Å; V53-I67 HydrophobicContact CG2-CG2 4.44Å; V55-I67 HydrophobicContact CG2-CG1 4.34Å
68	V	91.8	Very high	86.1	Confident	52 Å²	52	90.1 Å²	90.1	32%	0.315	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-35.2	-178.5	178.7	0	0	0	0	111.9	T54 E56 R66	T54-V68 PolarHBondContact O-N 3.38Å; E56-V68 HydrophobicContact CB-CG2 4.25Å; E56-V68 HydrophobicContact CG-CG2 3.67Å; E56-V68 VanDerWaalsContact OE2-CG2 3.23Å; E56-V68 WeakPolarHBondContact OE2-CG2 3.45Å; R66-V68 HydrophobicContact CG-CG2 4.39Å; R66-V68 PolarHBondContact O-N 3.11Å
69	F	90	Very high	86.3	Confident	123 Å²	123	92.6 Å²	92.6	54%	0.539	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.7	-174.9	-164.4	-104.8	0	0	0	111.5	V53 T54	V53-F69 CarbonylContact C-O 3.58Å; V53-F69 WeakPolarHBondContact CA-O 3.5Å; T54-F69 PolarHBondContact N-O 2.82Å
70	R	88.2	Confident	86.8	Confident	77 Å²	77	94.8 Å²	94.8	29%	0.291	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.5	171.6	175.5	-178.9	170.2	-169.3	1.5	106.3	M40 R46 D51 V53	M40-R70 HydrophobicContact CE-CB 3.86Å; R46-R70 PolarHBondContact O-NH1 2.55Å; D51-R70 IonicContact OD1-CZ 3.25Å; D51-R70 VanDerWaalsContact OD1-CZ 3.25Å; D51-R70 IonicContact OD1-NE 3.24Å; D51-R70 PolarHBondContact OD1-NE 3.47Å; D51-R70 IonicContact OD1-NH2 2.68Å; D51-R70 PolarHBondContact OD1-NH2 2.99Å; D51-R70 IonicContact OD2-CZ 2.85Å; D51-R70 IonicContact OD2-NE 2.94Å; D51-R70 PolarHBondContact OD2-NE 3.23Å; D51-R70 IonicContact OD2-NH1 3.46Å; D51-R70 PolarHBondContact OD2-NH1 3.47Å; D51-R70 IonicContact OD2-NH2 2.96Å; D51-R70 PolarHBondContact OD2-NH2 2.49Å; V53-R70 HydrophobicContact CG1-CB 4.38Å; V53-R70 HydrophobicContact CG1-CG 4.43Å
71	S	81.3	Confident	87	Confident	56 Å²	56	86.9 Å²	86.9	39%	0.392	40%	0.402	S	S	.	.			trans	-72.2	140.7	170.5	-171.7	0	0	0	0	108.9	K52	K52-S71 PolarHBondContact O-N 2.73Å
72	R	75.2	Confident	87.3	Confident	299 Å²	299	90.5 Å²	90.5	100%	1.128	42%	0.415	S	S	*	.			trans	-70.6	0	171.5	-173	176.4	-176.4	-166.3	1.1	110.7

Retrieved 72 of 72 residues in 109.2 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).