A0A087WSU7_MOUSE Loading...

Kinesin family member 1A

AlphaFold DB , UniProt , Accession A0A087WSU7, Species MOUSE (Mus musculus, Mouse), Gene Kif1a, Length 109 aa.

						>A0A087WSU7_MOUSE|A0A087WSU7|Kif1a
MAGASVKVAVRVRPFNSREMSRDSKCIIQMSGSTTTIVNPKQPKETPKSFSFDYSYWSHTSPEDINYASQKQVYRDIGEEMLQHAFEGYNVCIFAYGQTGAGKSYTMMG
					

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	41.3	Very low	77.6	Confident	231 Å²	231	91.3 Å²	91.3	100%	1.138	59%	0.592	S	S	*	*				0	107.7	0	-76.5	-177.5	-96	0	0	106.9	G3	M1-G3 PolarHBondContact O-N 3.08Å
2	A	45.4	Very low	79.3	Confident	105 Å²	105	85.3 Å²	85.3	87%	0.868	55%	0.552	S	S	*	*			trans	-63.5	124.1	174	0	0	0	0	0	107.5	A4	A2-A4 PolarHBondContact O-N 3.05Å
3	G	51.2	Low	80.7	Confident	70 Å²	70	84.1 Å²	84.1	72%	0.722	53%	0.53	S	S	*	.			trans	-57.6	134.8	-177.3	0	0	0	0	0	110.5	M1 S5	M1-G3 PolarHBondContact O-N 3.08Å; G3-S5 PolarHBondContact O-N 3.01Å
4	A	62.3	Low	82	Confident	105 Å²	105	82.8 Å²	82.8	87%	0.868	52%	0.523	S	S	*	.			trans	-55.1	110.4	179.7	0	0	0	0	0	110.1	A2	A2-A4 PolarHBondContact O-N 3.05Å
5	S	78.4	Confident	83	Confident	94 Å²	94	80.9 Å²	80.9	66%	0.657	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-76.9	142.2	172.6	54	0	0	0	0	109.6	G3 K7	G3-S5 PolarHBondContact O-N 3.01Å; S5-K7 PolarHBondContact O-N 3.28Å
6	V	90.3	Very high	83.9	Confident	118 Å²	118	80.1 Å²	80.1	72%	0.715	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-57.9	124.6	171.1	176.5	0	0	0	0	108.8	V8	V6-V8 HydrophobicContact CG1-CG2 4.23Å
7	K	93.6	Very high	84.7	Confident	86 Å²	86	81.2 Å²	81.2	37%	0.374	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-85.4	133.1	170.3	-66.2	-166.4	-178.6	-172.8	0	110.5	S5 D53 E80	S5-K7 PolarHBondContact O-N 3.28Å; K7-D53 VanDerWaalsContact CA-OD2 3.27Å; K7-D53 WeakPolarHBondContact CA-OD2 3.41Å; K7-E80 VanDerWaalsContact CE-OE1 3.29Å; K7-E80 WeakPolarHBondContact CE-OE1 3.3Å; K7-E80 WeakPolarHBondContact CE-OE2 3.41Å; K7-E80 IonicContact NZ-OE1 3.58Å; K7-E80 PolarHBondContact NZ-OE1 3.45Å; K7-E80 IonicContact NZ-OE2 2.87Å; K7-E80 PolarHBondContact NZ-OE2 2.94Å
8	V	96.6	Very high	85.4	Confident	67 Å²	67	86.3 Å²	86.3	41%	0.406	52%	0.515	S	S	.	.			trans	-119.9	125.8	179.9	-173.1	0	0	0	0	108.8	V6 F52 D53 Y54	V6-V8 HydrophobicContact CG1-CG2 4.23Å; V8-F52 HydrophobicContact CB-CD1 4.14Å; V8-F52 HydrophobicContact CG1-CD1 3.54Å; V8-F52 HydrophobicContact CG1-CE1 4Å; V8-F52 WeakPolarHBondContact O-CB 3.36Å; V8-D53 PolarHBondContact N-OD2 3.47Å; V8-D53 WeakPolarHBondContact O-CB 3.5Å; V8-D53 PolarHBondContact O-N 3.44Å; V8-Y54 PolarHBondContact O-N 2.89Å
9	A	97.6	Very high	86.1	Confident	40 Å²	40	84.1 Å²	84.1	33%	0.331	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.6	174.1	0	0	0	0	0	110.6	Y54 Y56 I77	A9-Y54 VanDerWaalsContact CA-O 3.31Å; A9-Y54 WeakPolarHBondContact CA-O 3.38Å; A9-Y54 HydrophobicContact CB-CD2 4.34Å; A9-Y56 HydrophobicContact CB-CD2 4.22Å; A9-Y56 HydrophobicContact CB-CE2 3.66Å; A9-I77 HydrophobicContact CB-CD1 3.72Å
10	V	98.4	Very high	86.6	Confident	43 Å²	43	85.8 Å²	85.8	26%	0.261	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.8	172.9	179.3	0	0	0	0	109	M30 T35 F52 Y54 S55 Y56	V10-M30 HydrophobicContact CB-CE 4.39Å; V10-M30 HydrophobicContact CG1-CE 3.73Å; V10-T35 HydrophobicContact CG1-CG2 4.44Å; V10-F52 HydrophobicContact CB-CD2 4.21Å; V10-F52 HydrophobicContact CB-CE2 4.31Å; V10-F52 HydrophobicContact CG2-CD1 4.02Å; V10-F52 HydrophobicContact CG2-CD2 3.48Å; V10-F52 VanDerWaalsContact CG2-CD2 3.48Å; V10-F52 HydrophobicContact CG2-CE1 3.91Å; V10-F52 HydrophobicContact CG2-CE2 3.36Å; V10-F52 HydrophobicContact CG2-CG 3.81Å; V10-F52 HydrophobicContact CG2-CZ 3.59Å; V10-Y54 PolarHBondContact N-O 2.74Å; V10-S55 CarbonylContact O-C 3.58Å; V10-Y56 PolarHBondContact O-N 3.37Å
11	R	98.4	Very high	87.2	Confident	45 Å²	45	86.3 Å²	86.3	17%	0.17	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.2	178	-172.7	172.6	-170.3	-166.3	7.6	111	Y56 S58 T106	R11-Y56 WeakPolarHBondContact CA-O 3.41Å; R11-Y56 HydrophobicContact CB-CD2 4.29Å; R11-S58 PolarHBondContact NE-OG 3.14Å; R11-S58 PolarHBondContact NH2-OG 3.36Å; R11-T106 PolarHBondContact NH1-OG1 3.15Å; R11-T106 VanDerWaalsContact NH1-OG1 3.11Å
12	V	98.3	Very high	89.8	Confident	20 Å²	20	83.5 Å²	83.5	12%	0.121	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.8	176.7	62.1	0	0	0	0	110.1	I28 M30 Y56 W57 S58 H59	V12-I28 HydrophobicContact CB-CG2 4.26Å; V12-I28 HydrophobicContact CG2-CB 4.23Å; V12-I28 HydrophobicContact CG2-CG1 4.4Å; V12-I28 HydrophobicContact CG2-CG2 4.15Å; V12-M30 HydrophobicContact CB-CE 3.75Å; V12-M30 HydrophobicContact CB-SD 4.38Å; V12-M30 HydrophobicContact CG1-CE 3.7Å; V12-M30 HydrophobicContact CG1-SD 3.65Å; V12-Y56 PolarHBondContact N-O 2.92Å; V12-W57 HydrophobicContact CG1-CD2 4.14Å; V12-W57 HydrophobicContact CG1-CE3 3.47Å; V12-W57 VanDerWaalsContact CG1-CE3 3.47Å; V12-W57 HydrophobicContact CG1-CZ3 3.98Å; V12-S58 CarbonylContact O-C 3.58Å; V12-S58 WeakPolarHBondContact O-CA 3.28Å; V12-S58 VanDerWaalsContact O-CB 3.31Å; V12-S58 WeakPolarHBondContact O-CB 3.44Å; V12-S58 PolarHBondContact O-N 3.06Å; V12-S58 VanDerWaalsContact O-N 3.1Å; V12-H59 HydrophobicContact CG1-CB 4.13Å; V12-H59 HydrophobicContact CG2-CB 4.42Å
13	R	97.8	Very high	92.2	Very high	69 Å²	69	84 Å²	84	26%	0.26	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-80.1	159.5	177.8	69.6	152.1	176.8	78.8	4.1	111.6	E19 H59 G100	R13-E19 IonicContact CZ-OE1 3.49Å; R13-E19 IonicContact CZ-OE2 3.93Å; R13-E19 IonicContact NH1-OE1 2.7Å; R13-E19 IonicContact NH1-OE2 2.77Å; R13-E19 PolarHBondContact NH1-OE2 3.32Å; R13-E19 IonicContact NH2-OE1 3.33Å; R13-E19 PolarHBondContact NH2-OE1 3.13Å; R13-E19 IonicContact NH2-OE2 3.64Å; R13-E19 PolarHBondContact NH2-OE2 3.39Å; R13-H59 PolarHBondContact O-ND1 2.65Å; R13-G100 VanDerWaalsContact CD-O 3.28Å; R13-G100 WeakPolarHBondContact CD-O 3.46Å; R13-G100 PolarHBondContact NE-O 3.13Å
14	P	97.7	Very high	94.4	Very high	66 Å²	66	82.8 Å²	82.8	43%	0.429	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-67	163.5	171.2	30.8	-35.4	0	0	0	110.8	S58 H59	P14-S58 VanDerWaalsContact CD-O 3.26Å; P14-S58 WeakPolarHBondContact CD-O 3.1Å; P14-H59 WeakPolarHBondContact CA-O 3.09Å; P14-H59 VanDerWaalsContact CB-O 3.27Å; P14-H59 WeakPolarHBondContact CB-O 3.39Å
15	F	97.9	Very high	95.9	Very high	54 Å²	54	84.5 Å²	84.5	24%	0.237	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.4	169.1	-77.4	-39.2	0	0	0	111.6	E19 M20 S24 C26 H59	F15-E19 WeakPolarHBondContact CA-OE2 3.34Å; F15-E19 HydrophobicContact CB-CB 3.93Å; F15-E19 HydrophobicContact CD1-CB 3.63Å; F15-E19 HydrophobicContact CD1-CG 4.1Å; F15-E19 WeakPolarHBondContact CD1-OE2 3.5Å; F15-E19 HydrophobicContact CE1-CB 4.29Å; F15-E19 HydrophobicContact CG-CB 3.91Å; F15-M20 HydrophobicContact CB-CG 3.76Å; F15-S24 VanDerWaalsContact CE2-O 3.28Å; F15-S24 WeakPolarHBondContact CE2-O 3.05Å; F15-S24 WeakPolarHBondContact CZ-O 3.38Å; F15-C26 HydrophobicContact CE2-CB 4.02Å; F15-C26 HydrophobicContact CZ-CB 3.7Å; F15-H59 AromaticContact CD1-CE1 3.72Å; F15-H59 AromaticContact CD2-CE1 3.65Å; F15-H59 AromaticContact CD2-NE2 3.74Å; F15-H59 AromaticContact CE1-CE1 3.89Å; F15-H59 AromaticContact CE2-CE1 3.83Å; F15-H59 AromaticContact CE2-NE2 3.75Å; F15-H59 AromaticContact CG-CE1 3.61Å; F15-H59 AromaticContact CZ-CE1 3.95Å
16	N	96.6	Very high	96.8	Very high	69 Å²	69	82.4 Å²	82.4	37%	0.369	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-81.9	170	169.8	67.7	45.1	0	0	0	110.6	R18 E19 M20	N16-R18 PolarHBondContact O-N 3.38Å; N16-R18 VanDerWaalsContact O-N 3.14Å; N16-R18 WeakPolarHBondContact OD1-CA 3.46Å; N16-R18 WeakPolarHBondContact OD1-CB 3.44Å; N16-R18 PolarHBondContact OD1-N 2.81Å; N16-E19 VanDerWaalsContact CG-OE2 3.23Å; N16-E19 PolarHBondContact N-OE2 2.92Å; N16-E19 PolarHBondContact ND2-OE2 3.44Å; N16-E19 PolarHBondContact O-N 2.93Å; N16-E19 PolarHBondContact OD1-N 2.85Å; N16-M20 PolarHBondContact O-N 2.86Å
17	S	97.4	Very high	97.1	Very high	98 Å²	98	80 Å²	80	69%	0.685	41%	0.411	S	S	*	.	H	α-helix	trans	-56	-34.8	-177.1	-45	0	0	0	0	113.5	S21	S17-S21 VanDerWaalsContact O-CB 3.26Å; S17-S21 WeakPolarHBondContact O-CB 3.22Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.48Å
18	R	97.9	Very high	97.3	Very high	174 Å²	174	77.7 Å²	77.7	66%	0.657	40%	0.403	S	S	*	.	H	α-helix	trans	-72.4	-38	179	-176.7	-177	-177.4	-171.8	1.8	112.2	N16 S21 R22	N16-R18 PolarHBondContact O-N 3.38Å; N16-R18 VanDerWaalsContact O-N 3.14Å; N16-R18 WeakPolarHBondContact OD1-CA 3.46Å; N16-R18 WeakPolarHBondContact OD1-CB 3.44Å; N16-R18 PolarHBondContact OD1-N 2.81Å; R18-S21 PolarHBondContact O-OG 3.32Å; R18-S21 VanDerWaalsContact O-OG 3.12Å; R18-R22 WeakPolarHBondContact O-CB 3.47Å; R18-R22 VanDerWaalsContact O-CG 3.27Å; R18-R22 WeakPolarHBondContact O-CG 3.42Å; R18-R22 PolarHBondContact O-N 3.17Å
19	E	98	Very high	97.3	Very high	44 Å²	44	79.9 Å²	79.9	21%	0.206	41%	0.408	C	S	.	.	H	α-helix	trans	-67.5	-43.3	177.9	-72.8	159.3	160.5	0	0	110.4	R13 F15 N16 R22 D23 S24	R13-E19 IonicContact CZ-OE1 3.49Å; R13-E19 IonicContact CZ-OE2 3.93Å; R13-E19 IonicContact NH1-OE1 2.7Å; R13-E19 IonicContact NH1-OE2 2.77Å; R13-E19 PolarHBondContact NH1-OE2 3.32Å; R13-E19 IonicContact NH2-OE1 3.33Å; R13-E19 PolarHBondContact NH2-OE1 3.13Å; R13-E19 IonicContact NH2-OE2 3.64Å; R13-E19 PolarHBondContact NH2-OE2 3.39Å; F15-E19 WeakPolarHBondContact CA-OE2 3.34Å; F15-E19 HydrophobicContact CB-CB 3.93Å; F15-E19 HydrophobicContact CD1-CB 3.63Å; F15-E19 HydrophobicContact CD1-CG 4.1Å; F15-E19 WeakPolarHBondContact CD1-OE2 3.5Å; F15-E19 HydrophobicContact CE1-CB 4.29Å; F15-E19 HydrophobicContact CG-CB 3.91Å; N16-E19 VanDerWaalsContact CG-OE2 3.23Å; N16-E19 PolarHBondContact N-OE2 2.92Å; N16-E19 PolarHBondContact ND2-OE2 3.44Å; N16-E19 PolarHBondContact O-N 2.93Å; N16-E19 PolarHBondContact OD1-N 2.85Å; E19-R22 PolarHBondContact O-N 3.5Å; E19-D23 PolarHBondContact O-N 3.21Å; E19-S24 WeakPolarHBondContact CA-OG 3.46Å; E19-S24 VanDerWaalsContact O-CB 3.31Å; E19-S24 WeakPolarHBondContact O-CB 3.49Å; E19-S24 PolarHBondContact O-N 3.08Å; E19-S24 PolarHBondContact O-OG 3.4Å
20	M	97.3	Very high	97.3	Very high	118 Å²	118	79.8 Å²	79.8	58%	0.581	40%	0.401	S	S	*	.	H	α-helix	trans	-63	-47.2	174	-66.7	-172.4	-75.6	0	0	111.9	F15 N16 R22 D23	F15-M20 HydrophobicContact CB-CG 3.76Å; N16-M20 PolarHBondContact O-N 2.86Å; M20-R22 PolarHBondContact O-N 2.92Å; M20-R22 VanDerWaalsContact O-N 3.15Å; M20-D23 PolarHBondContact O-N 3.12Å
21	S	98	Very high	97.1	Very high	96 Å²	96	82.4 Å²	82.4	67%	0.671	42%	0.422	S	S	*	.	H	α-helix	trans	-65.3	-20.2	-178.8	77.5	0	0	0	0	113.6	S17 R18	S17-S21 VanDerWaalsContact O-CB 3.26Å; S17-S21 WeakPolarHBondContact O-CB 3.22Å; S17-S21 PolarHBondContact O-N 2.87Å; S17-S21 PolarHBondContact O-OG 3.48Å; R18-S21 PolarHBondContact O-OG 3.32Å; R18-S21 VanDerWaalsContact O-OG 3.12Å
22	R	97.3	Very high	96.8	Very high	173 Å²	173	83.4 Å²	83.4	65%	0.653	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	8.7	177.6	-64	-173.6	83	-176.2	8	113	R18 E19 M20 S24	R18-R22 WeakPolarHBondContact O-CB 3.47Å; R18-R22 VanDerWaalsContact O-CG 3.27Å; R18-R22 WeakPolarHBondContact O-CG 3.42Å; R18-R22 PolarHBondContact O-N 3.17Å; E19-R22 PolarHBondContact O-N 3.5Å; M20-R22 PolarHBondContact O-N 2.92Å; M20-R22 VanDerWaalsContact O-N 3.15Å; R22-S24 PolarHBondContact O-N 3.18Å
23	D	95.9	Very high	96.7	Very high	115 Å²	115	85 Å²	85	62%	0.615	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	44	-176.5	-167	19	0	0	0	112.6	E19 M20 K25	E19-D23 PolarHBondContact O-N 3.21Å; M20-D23 PolarHBondContact O-N 3.12Å; D23-K25 IonicContact OD1-NZ 3.62Å; D23-K25 PolarHBondContact OD1-NZ 2.96Å; D23-K25 IonicContact OD2-NZ 2.8Å; D23-K25 PolarHBondContact OD2-NZ 3.18Å
24	S	96.1	Very high	96.7	Very high	45 Å²	45	83.7 Å²	83.7	32%	0.315	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-64.9	139.4	-179.6	-54.9	0	0	0	0	110	F15 E19 R22	F15-S24 VanDerWaalsContact CE2-O 3.28Å; F15-S24 WeakPolarHBondContact CE2-O 3.05Å; F15-S24 WeakPolarHBondContact CZ-O 3.38Å; E19-S24 WeakPolarHBondContact CA-OG 3.46Å; E19-S24 VanDerWaalsContact O-CB 3.31Å; E19-S24 WeakPolarHBondContact O-CB 3.49Å; E19-S24 PolarHBondContact O-N 3.08Å; E19-S24 PolarHBondContact O-OG 3.4Å; R22-S24 PolarHBondContact O-N 3.18Å
25	K	94.8	Very high	96.7	Very high	140 Å²	140	80.9 Å²	80.9	61%	0.609	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-90.9	135.5	-180	-55.4	-53.9	174.5	-162.9	0	111	D23 I27	D23-K25 IonicContact OD1-NZ 3.62Å; D23-K25 PolarHBondContact OD1-NZ 2.96Å; D23-K25 IonicContact OD2-NZ 2.8Å; D23-K25 PolarHBondContact OD2-NZ 3.18Å; K25-I27 PolarHBondContact O-N 3.41Å
26	C	96.4	Very high	96.8	Very high	50 Å²	50	79.4 Å²	79.4	34%	0.338	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-75.1	124.5	177.2	-170.4	0	0	0	0	108.5	F15 I28	F15-C26 HydrophobicContact CE2-CB 4.02Å; F15-C26 HydrophobicContact CZ-CB 3.7Å; C26-I28 PolarHBondContact SG-O 3.38Å
27	I	97.3	Very high	96.8	Very high	68 Å²	68	79.3 Å²	79.3	35%	0.349	43%	0.434	S	S	.	.			trans	-102.4	1.6	-178.5	65.2	169.4	0	0	0	112.6	K25 I37 V38 P40	K25-I27 PolarHBondContact O-N 3.41Å; I27-I37 HydrophobicContact CD1-CG2 4.34Å; I27-I37 WeakPolarHBondContact O-CA 3.49Å; I27-V38 WeakPolarHBondContact CB-O 3.31Å; I27-V38 PolarHBondContact O-N 3.36Å; I27-P40 HydrophobicContact CG2-CB 4.46Å; I27-P40 HydrophobicContact CG2-CG 3.99Å
28	I	97.9	Very high	96.8	Very high	38 Å²	38	76.8 Å²	76.8	20%	0.195	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.3	-179.3	-55.3	-59.3	0	0	0	108.4	V12 C26 M30 T35 T36 I37	V12-I28 HydrophobicContact CB-CG2 4.26Å; V12-I28 HydrophobicContact CG2-CB 4.23Å; V12-I28 HydrophobicContact CG2-CG1 4.4Å; V12-I28 HydrophobicContact CG2-CG2 4.15Å; C26-I28 PolarHBondContact SG-O 3.38Å; I28-M30 HydrophobicContact CG2-CE 4.09Å; I28-M30 HydrophobicContact CG2-CG 4.31Å; I28-T35 HydrophobicContact CG2-CG2 4.03Å; I28-T36 WeakPolarHBondContact CA-O 3.15Å; I28-I37 HydrophobicContact CD1-CB 4.42Å; I28-I37 HydrophobicContact CD1-CD1 4.35Å; I28-I37 HydrophobicContact CD1-CG1 3.81Å; I28-I37 HydrophobicContact CD1-CG2 4.25Å
29	Q	96.4	Very high	96.7	Very high	113 Å²	113	71.1 Å²	71.1	53%	0.528	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	171	-64.2	174.3	-11.5	0	0	107.8	T36	Q29-T36 PolarHBondContact N-O 3.13Å; Q29-T36 PolarHBondContact O-N 3.47Å
30	M	97.1	Very high	96.4	Very high	37 Å²	37	73.1 Å²	73.1	18%	0.182	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.2	178.1	-69.5	179	173.1	0	0	109.6	V10 V12 I28 T34 T35 Y56 W57	V10-M30 HydrophobicContact CB-CE 4.39Å; V10-M30 HydrophobicContact CG1-CE 3.73Å; V12-M30 HydrophobicContact CB-CE 3.75Å; V12-M30 HydrophobicContact CB-SD 4.38Å; V12-M30 HydrophobicContact CG1-CE 3.7Å; V12-M30 HydrophobicContact CG1-SD 3.65Å; I28-M30 HydrophobicContact CG2-CE 4.09Å; I28-M30 HydrophobicContact CG2-CG 4.31Å; M30-T34 VanDerWaalsContact CA-O 3.32Å; M30-T34 WeakPolarHBondContact CA-O 3.28Å; M30-T35 HydrophobicContact CE-CG2 3.92Å; M30-T35 WeakPolarHBondContact CE-OG1 3.43Å; M30-T35 HydrophobicContact CG-CG2 4.29Å; M30-Y56 VanDerWaalsContact SD-C 3.52Å; M30-W57 HydrophobicContact CB-CE3 4.31Å; M30-W57 HydrophobicContact CG-CE3 4.35Å; M30-W57 HydrophobicContact SD-CB 4.38Å; M30-W57 HydrophobicContact SD-CE3 4.38Å
31	S	94.3	Very high	96.2	Very high	98 Å²	98	76.5 Å²	76.5	69%	0.685	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	117.6	175.1	-178.2	0	0	0	0	109.3	S33 T34	S31-S33 PolarHBondContact O-N 3.26Å; S31-T34 PolarHBondContact N-O 3.11Å; S31-T34 WeakPolarHBondContact O-CB 3.45Å; S31-T34 PolarHBondContact O-N 2.95Å
32	G	93.4	Very high	95.9	Very high	67 Å²	67	77.2 Å²	77.2	69%	0.691	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	-123.6	-170.5	0	0	0	0	0	111
33	S	95.6	Very high	95.4	Very high	54 Å²	54	74.4 Å²	74.4	38%	0.378	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.7	178	64.3	0	0	0	0	114.5	S31 F52 S55	S31-S33 PolarHBondContact O-N 3.26Å; S33-F52 VanDerWaalsContact CB-O 3.27Å; S33-F52 WeakPolarHBondContact CB-O 2.99Å; S33-F52 PolarHBondContact O-N 2.94Å; S33-S55 VanDerWaalsContact C-OG 3.29Å; S33-S55 PolarHBondContact O-OG 2.54Å; S33-S55 VanDerWaalsContact O-OG 3.06Å
34	T	97.8	Very high	95.3	Very high	40 Å²	40	79 Å²	79	25%	0.245	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.6	-178.7	-56.7	0	0	0	0	111.5	M30 S31 F50	M30-T34 VanDerWaalsContact CA-O 3.32Å; M30-T34 WeakPolarHBondContact CA-O 3.28Å; S31-T34 PolarHBondContact N-O 3.11Å; S31-T34 WeakPolarHBondContact O-CB 3.45Å; S31-T34 PolarHBondContact O-N 2.95Å; T34-F50 CarbonylContact C-O 3.55Å; T34-F50 WeakPolarHBondContact CA-O 3.48Å
35	T	98.3	Very high	95.2	Very high	8 Å²	8	79.9 Å²	79.9	5%	0.049	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.8	169.2	-63.6	0	0	0	0	109.9	V10 I28 M30 S49 F50 S55	V10-T35 HydrophobicContact CG1-CG2 4.44Å; I28-T35 HydrophobicContact CG2-CG2 4.03Å; M30-T35 HydrophobicContact CE-CG2 3.92Å; M30-T35 WeakPolarHBondContact CE-OG1 3.43Å; M30-T35 HydrophobicContact CG-CG2 4.29Å; T35-S49 WeakPolarHBondContact O-CA 3.31Å; T35-F50 PolarHBondContact N-O 3.11Å; T35-F50 PolarHBondContact O-N 3.42Å; T35-S55 WeakPolarHBondContact OG1-CB 3.48Å; T35-S55 PolarHBondContact OG1-OG 3.01Å
36	T	98.3	Very high	95.2	Very high	22 Å²	22	79 Å²	79	14%	0.135	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.1	-179.1	-57.1	0	0	0	0	110.5	I28 Q29 P47 K48 S49	I28-T36 WeakPolarHBondContact CA-O 3.15Å; Q29-T36 PolarHBondContact N-O 3.13Å; Q29-T36 PolarHBondContact O-N 3.47Å; T36-P47 HydrophobicContact CG2-CB 3.43Å; T36-P47 VanDerWaalsContact CG2-CB 3.43Å; T36-K48 CarbonylContact C-O 3.38Å; T36-K48 WeakPolarHBondContact CA-O 3.28Å; T36-S49 PolarHBondContact OG1-OG 3Å
37	I	97.8	Very high	95.2	Very high	68 Å²	68	79.5 Å²	79.5	35%	0.349	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.9	177.5	-49.3	-178.7	0	0	0	109.3	I27 I28 K48 F50	I27-I37 HydrophobicContact CD1-CG2 4.34Å; I27-I37 WeakPolarHBondContact O-CA 3.49Å; I28-I37 HydrophobicContact CD1-CB 4.42Å; I28-I37 HydrophobicContact CD1-CD1 4.35Å; I28-I37 HydrophobicContact CD1-CG1 3.81Å; I28-I37 HydrophobicContact CD1-CG2 4.25Å; I37-K48 PolarHBondContact N-O 3.07Å; I37-K48 PolarHBondContact O-N 3.32Å; I37-F50 HydrophobicContact CD1-CE2 4.07Å; I37-F50 HydrophobicContact CG1-CE2 4.38Å
38	V	96.9	Very high	95.3	Very high	44 Å²	44	81.8 Å²	81.8	27%	0.267	45%	0.452	S	S	.	.			trans	-103.9	134.4	178.2	-177.9	0	0	0	0	110	I27 P40 P47	I27-V38 WeakPolarHBondContact CB-O 3.31Å; I27-V38 PolarHBondContact O-N 3.36Å; V38-P40 VanDerWaalsContact O-CD 3.25Å; V38-P40 WeakPolarHBondContact O-CD 3.26Å; V38-P47 HydrophobicContact CG2-CB 4.19Å; V38-P47 HydrophobicContact CG2-CG 4.24Å
39	N	95.3	Very high	95.3	Very high	55 Å²	55	83.6 Å²	83.6	29%	0.294	47%	0.468	S	S	.	.			trans	-87.1	107.7	174.2	-175.3	-5.4	0	0	0	110.6	K41 Q42 E45	N39-K41 PolarHBondContact O-N 2.91Å; N39-K41 WeakPolarHBondContact OD1-CB 3.26Å; N39-K41 PolarHBondContact OD1-N 3.22Å; N39-Q42 CarbonylContact O-C 3.37Å; N39-Q42 PolarHBondContact O-N 2.96Å; N39-Q42 VanDerWaalsContact O-N 3.15Å; N39-E45 WeakPolarHBondContact CB-OE2 3.37Å; N39-E45 PolarHBondContact ND2-OE2 3.11Å
40	P	91.8	Very high	95.4	Very high	86 Å²	86	82.8 Å²	82.8	56%	0.558	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.9	-177.5	29.3	-35.9	0	0	0	112.9	I27 V38	I27-P40 HydrophobicContact CG2-CB 4.46Å; I27-P40 HydrophobicContact CG2-CG 3.99Å; V38-P40 VanDerWaalsContact O-CD 3.25Å; V38-P40 WeakPolarHBondContact O-CD 3.26Å
41	K	92.9	Very high	95.4	Very high	189 Å²	189	85.5 Å²	85.5	82%	0.822	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.7	178.1	-62.9	-177.6	178.6	-179.8	0	112.8	N39	N39-K41 PolarHBondContact O-N 2.91Å; N39-K41 WeakPolarHBondContact OD1-CB 3.26Å; N39-K41 PolarHBondContact OD1-N 3.22Å
42	Q	93.4	Very high	95.5	Very high	111 Å²	111	83.8 Å²	83.8	52%	0.519	47%	0.466	S	S	.	.			trans	-134.7	77.2	-178.8	-60.6	-172	15	0	0	110.1	N39 K44 E45	N39-Q42 CarbonylContact O-C 3.37Å; N39-Q42 PolarHBondContact O-N 2.96Å; N39-Q42 VanDerWaalsContact O-N 3.15Å; Q42-K44 PolarHBondContact O-N 2.77Å; Q42-E45 HydrophobicContact CB-CB 3.85Å; Q42-E45 VanDerWaalsContact O-CB 3.27Å; Q42-E45 WeakPolarHBondContact O-CB 3.27Å; Q42-E45 PolarHBondContact O-N 3.3Å; Q42-E45 PolarHBondContact OE1-OE2 3.08Å
43	P	86.8	Confident	95.7	Very high	115 Å²	115	84.1 Å²	84.1	75%	0.747	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.5	-174.4	-22.5	33.8	0	0	0	114.9
44	K	91.9	Very high	95.8	Very high	212 Å²	212	84.6 Å²	84.6	92%	0.922	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-10.5	176.2	-61	-175.5	-179.1	-178.2	0	112.8	Q42	Q42-K44 PolarHBondContact O-N 2.77Å
45	E	95.1	Very high	95.8	Very high	63 Å²	63	83.5 Å²	83.5	29%	0.294	44%	0.44	S	S	.	.	S	Bend	trans	-69.6	133.7	174	-170.3	-173.7	173.3	0	0	108.6	N39 Q42 K48	N39-E45 WeakPolarHBondContact CB-OE2 3.37Å; N39-E45 PolarHBondContact ND2-OE2 3.11Å; Q42-E45 HydrophobicContact CB-CB 3.85Å; Q42-E45 VanDerWaalsContact O-CB 3.27Å; Q42-E45 WeakPolarHBondContact O-CB 3.27Å; Q42-E45 PolarHBondContact O-N 3.3Å; Q42-E45 PolarHBondContact OE1-OE2 3.08Å; E45-K48 WeakPolarHBondContact OE1-CE 3.33Å; E45-K48 IonicContact OE1-NZ 2.58Å
46	T	95.3	Very high	95.8	Very high	120 Å²	120	83.7 Å²	83.7	74%	0.736	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-59.3	128.7	174.8	-54	0	0	0	0	109.8
47	P	96.7	Very high	95.8	Very high	61 Å²	61	84.7 Å²	84.7	40%	0.396	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-56.2	146.4	175.3	-26	35.1	0	0	0	112.3	T36 V38	T36-P47 HydrophobicContact CG2-CB 3.43Å; T36-P47 VanDerWaalsContact CG2-CB 3.43Å; V38-P47 HydrophobicContact CG2-CB 4.19Å; V38-P47 HydrophobicContact CG2-CG 4.24Å
48	K	97.9	Very high	95.8	Very high	117 Å²	117	81.7 Å²	81.7	51%	0.509	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.7	179.9	-64.9	179.6	-175.6	173.6	0	109.5	T36 I37 E45 F50	T36-K48 CarbonylContact C-O 3.38Å; T36-K48 WeakPolarHBondContact CA-O 3.28Å; I37-K48 PolarHBondContact N-O 3.07Å; I37-K48 PolarHBondContact O-N 3.32Å; E45-K48 WeakPolarHBondContact OE1-CE 3.33Å; E45-K48 IonicContact OE1-NZ 2.58Å; K48-F50 HydrophobicContact CB-CE2 3.82Å; K48-F50 HydrophobicContact CB-CZ 4.13Å
49	S	98.1	Very high	95.8	Very high	75 Å²	75	80.9 Å²	80.9	52%	0.524	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.8	-178.3	-55	0	0	0	0	111.5	T35 T36	T35-S49 WeakPolarHBondContact O-CA 3.31Å; T36-S49 PolarHBondContact OG1-OG 3Å
50	F	98.3	Very high	95.8	Very high	97 Å²	97	81.1 Å²	81.1	43%	0.425	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.8	-179.5	-55.3	-90.7	0	0	0	109.3	T34 T35 I37 K48 F52	T34-F50 CarbonylContact C-O 3.55Å; T34-F50 WeakPolarHBondContact CA-O 3.48Å; T35-F50 PolarHBondContact N-O 3.11Å; T35-F50 PolarHBondContact O-N 3.42Å; I37-F50 HydrophobicContact CD1-CE2 4.07Å; I37-F50 HydrophobicContact CG1-CE2 4.38Å; K48-F50 HydrophobicContact CB-CE2 3.82Å; K48-F50 HydrophobicContact CB-CZ 4.13Å; F50-F52 HydrophobicContact CB-CD2 4.41Å; F50-F52 HydrophobicContact CB-CE2 3.48Å; F50-F52 VanDerWaalsContact CB-CE2 3.48Å; F50-F52 HydrophobicContact CB-CZ 3.62Å; F50-F52 HydrophobicContact CG-CZ 4.43Å
51	S	97.6	Very high	95.9	Very high	93 Å²	93	79.5 Å²	79.5	65%	0.65	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.5	176.8	-59.4	0	0	0	0	110.5
52	F	97.1	Very high	95.9	Very high	62 Å²	62	74.9 Å²	74.9	27%	0.272	40%	0.403	S	S	.	.			trans	-129.7	-179	-179.6	-61	-73.5	0	0	0	109.6	V8 V10 S33 F50 Y54	V8-F52 HydrophobicContact CB-CD1 4.14Å; V8-F52 HydrophobicContact CG1-CD1 3.54Å; V8-F52 HydrophobicContact CG1-CE1 4Å; V8-F52 WeakPolarHBondContact O-CB 3.36Å; V10-F52 HydrophobicContact CB-CD2 4.21Å; V10-F52 HydrophobicContact CB-CE2 4.31Å; V10-F52 HydrophobicContact CG2-CD1 4.02Å; V10-F52 HydrophobicContact CG2-CD2 3.48Å; V10-F52 VanDerWaalsContact CG2-CD2 3.48Å; V10-F52 HydrophobicContact CG2-CE1 3.91Å; V10-F52 HydrophobicContact CG2-CE2 3.36Å; V10-F52 HydrophobicContact CG2-CG 3.81Å; V10-F52 HydrophobicContact CG2-CZ 3.59Å; S33-F52 VanDerWaalsContact CB-O 3.27Å; S33-F52 WeakPolarHBondContact CB-O 2.99Å; S33-F52 PolarHBondContact O-N 2.94Å; F50-F52 HydrophobicContact CB-CD2 4.41Å; F50-F52 HydrophobicContact CB-CE2 3.48Å; F50-F52 VanDerWaalsContact CB-CE2 3.48Å; F50-F52 HydrophobicContact CB-CZ 3.62Å; F50-F52 HydrophobicContact CG-CZ 4.43Å; F52-Y54 VanDerWaalsContact C-N 3.34Å
53	D	96.9	Very high	96	Very high	75 Å²	75	77 Å²	77	40%	0.401	41%	0.413	S	S	.	.	S	Bend	trans	-69.9	-38.9	168.2	-58.3	-78.9	0	0	0	110	K7 V8	K7-D53 VanDerWaalsContact CA-OD2 3.27Å; K7-D53 WeakPolarHBondContact CA-OD2 3.41Å; V8-D53 PolarHBondContact N-OD2 3.47Å; V8-D53 WeakPolarHBondContact O-CB 3.5Å; V8-D53 PolarHBondContact O-N 3.44Å
54	Y	97.4	Very high	96.3	Very high	63 Å²	63	73.7 Å²	73.7	25%	0.247	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.5	178.2	-54.9	-87.2	0	0	0	112.6	V8 A9 V10 F52 Y56 D76	V8-Y54 PolarHBondContact O-N 2.89Å; A9-Y54 VanDerWaalsContact CA-O 3.31Å; A9-Y54 WeakPolarHBondContact CA-O 3.38Å; A9-Y54 HydrophobicContact CB-CD2 4.34Å; V10-Y54 PolarHBondContact N-O 2.74Å; F52-Y54 VanDerWaalsContact C-N 3.34Å; Y54-Y56 HydrophobicContact CD1-CE1 4.28Å; Y54-Y56 HydrophobicContact CG-CE1 4.33Å; Y54-Y56 HydrophobicContact CG-CE2 4.45Å; Y54-Y56 AromaticContact CG-CZ 3.82Å; Y54-Y56 VanDerWaalsContact CG-OH 3.31Å; Y54-D76 HydrophobicContact CD1-CB 4.27Å; Y54-D76 HydrophobicContact CE1-CB 3.89Å
55	S	98.2	Very high	96.3	Very high	17 Å²	17	71.3 Å²	71.3	12%	0.119	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	101.4	169.5	-70.1	0	0	0	0	109.4	V10 S33 T35	V10-S55 CarbonylContact O-C 3.58Å; S33-S55 VanDerWaalsContact C-OG 3.29Å; S33-S55 PolarHBondContact O-OG 2.54Å; S33-S55 VanDerWaalsContact O-OG 3.06Å; T35-S55 WeakPolarHBondContact OG1-CB 3.48Å; T35-S55 PolarHBondContact OG1-OG 3.01Å
56	Y	98.1	Very high	96.2	Very high	12 Å²	12	73.8 Å²	73.8	5%	0.047	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	110.5	-174.7	-62.4	-56.6	0	0	0	112.1	A9 V10 R11 V12 M30 Y54 S58 A68 V73 D76 I77	A9-Y56 HydrophobicContact CB-CD2 4.22Å; A9-Y56 HydrophobicContact CB-CE2 3.66Å; V10-Y56 PolarHBondContact O-N 3.37Å; R11-Y56 WeakPolarHBondContact CA-O 3.41Å; R11-Y56 HydrophobicContact CB-CD2 4.29Å; V12-Y56 PolarHBondContact N-O 2.92Å; M30-Y56 VanDerWaalsContact SD-C 3.52Å; Y54-Y56 HydrophobicContact CD1-CE1 4.28Å; Y54-Y56 HydrophobicContact CG-CE1 4.33Å; Y54-Y56 HydrophobicContact CG-CE2 4.45Å; Y54-Y56 AromaticContact CG-CZ 3.82Å; Y54-Y56 VanDerWaalsContact CG-OH 3.31Å; Y56-S58 PolarHBondContact O-N 3.07Å; Y56-A68 HydrophobicContact CD1-CB 3.71Å; Y56-A68 HydrophobicContact CG-CB 4.05Å; Y56-V73 HydrophobicContact CD1-CG2 4.24Å; Y56-V73 HydrophobicContact CD2-CG2 3.92Å; Y56-V73 HydrophobicContact CE1-CG2 4.36Å; Y56-V73 HydrophobicContact CE2-CG1 4.32Å; Y56-V73 HydrophobicContact CE2-CG2 4.03Å; Y56-V73 HydrophobicContact CG-CG2 4.03Å; Y56-D76 HydrophobicContact CE1-CB 4.47Å; Y56-D76 WeakPolarHBondContact CE1-OD2 3.43Å; Y56-D76 WeakPolarHBondContact OH-CB 3.27Å; Y56-I77 HydrophobicContact CE2-CD1 3.95Å
57	W	98.1	Very high	96.3	Very high	44 Å²	44	70.9 Å²	70.9	17%	0.167	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	95.1	171.4	-177.3	-100.3	0	0	0	110.7	V12 M30 H59 T60 D64 Y67 A68	V12-W57 HydrophobicContact CG1-CD2 4.14Å; V12-W57 HydrophobicContact CG1-CE3 3.47Å; V12-W57 VanDerWaalsContact CG1-CE3 3.47Å; V12-W57 HydrophobicContact CG1-CZ3 3.98Å; M30-W57 HydrophobicContact CB-CE3 4.31Å; M30-W57 HydrophobicContact CG-CE3 4.35Å; M30-W57 HydrophobicContact SD-CB 4.38Å; M30-W57 HydrophobicContact SD-CE3 4.38Å; W57-H59 HydrophobicContact CD2-CB 3.91Å; W57-H59 HydrophobicContact CE3-CB 4.15Å; W57-H59 HydrophobicContact CH2-CB 3.82Å; W57-H59 AromaticContact CH2-CD2 3.67Å; W57-H59 AromaticContact CH2-CG 3.91Å; W57-H59 HydrophobicContact CZ2-CB 3.59Å; W57-H59 AromaticContact CZ2-CD2 3.58Å; W57-H59 AromaticContact CZ2-CG 3.91Å; W57-H59 HydrophobicContact CZ3-CB 4.09Å; W57-T60 HydrophobicContact CZ2-CG2 3.96Å; W57-T60 PolarHBondContact NE1-OG1 2.95Å; W57-T60 VanDerWaalsContact NE1-OG1 3.08Å; W57-D64 PolarHBondContact NE1-OD2 2.77Å; W57-Y67 CarbonylContact O-C 3.34Å; W57-Y67 VanDerWaalsContact O-CA 3.28Å; W57-Y67 WeakPolarHBondContact O-CA 3.27Å; W57-A68 PolarHBondContact O-N 3.13Å
58	S	97.7	Very high	96.3	Very high	5 Å²	5	68.2 Å²	68.2	4%	0.035	36%	0.359	C	S	.	.			trans	-104.9	22.2	172.4	-52.6	0	0	0	0	111.8	R11 V12 P14 Y56 A68	R11-S58 PolarHBondContact NE-OG 3.14Å; R11-S58 PolarHBondContact NH2-OG 3.36Å; V12-S58 CarbonylContact O-C 3.58Å; V12-S58 WeakPolarHBondContact O-CA 3.28Å; V12-S58 VanDerWaalsContact O-CB 3.31Å; V12-S58 WeakPolarHBondContact O-CB 3.44Å; V12-S58 PolarHBondContact O-N 3.06Å; V12-S58 VanDerWaalsContact O-N 3.1Å; P14-S58 VanDerWaalsContact CD-O 3.26Å; P14-S58 WeakPolarHBondContact CD-O 3.1Å; Y56-S58 PolarHBondContact O-N 3.07Å; S58-A68 PolarHBondContact OG-O 3.5Å
59	H	97.6	Very high	96.3	Very high	26 Å²	26	64.6 Å²	64.6	12%	0.12	35%	0.349	C	S	.	.	S	Bend	trans	-84.3	-29.1	-166.7	-175.2	74.6	0	0	0	114.5	V12 R13 P14 F15 W57	V12-H59 HydrophobicContact CG1-CB 4.13Å; V12-H59 HydrophobicContact CG2-CB 4.42Å; R13-H59 PolarHBondContact O-ND1 2.65Å; P14-H59 WeakPolarHBondContact CA-O 3.09Å; P14-H59 VanDerWaalsContact CB-O 3.27Å; P14-H59 WeakPolarHBondContact CB-O 3.39Å; F15-H59 AromaticContact CD1-CE1 3.72Å; F15-H59 AromaticContact CD2-CE1 3.65Å; F15-H59 AromaticContact CD2-NE2 3.74Å; F15-H59 AromaticContact CE1-CE1 3.89Å; F15-H59 AromaticContact CE2-CE1 3.83Å; F15-H59 AromaticContact CE2-NE2 3.75Å; F15-H59 AromaticContact CG-CE1 3.61Å; F15-H59 AromaticContact CZ-CE1 3.95Å; W57-H59 HydrophobicContact CD2-CB 3.91Å; W57-H59 HydrophobicContact CE3-CB 4.15Å; W57-H59 HydrophobicContact CH2-CB 3.82Å; W57-H59 AromaticContact CH2-CD2 3.67Å; W57-H59 AromaticContact CH2-CG 3.91Å; W57-H59 HydrophobicContact CZ2-CB 3.59Å; W57-H59 AromaticContact CZ2-CD2 3.58Å; W57-H59 AromaticContact CZ2-CG 3.91Å; W57-H59 HydrophobicContact CZ3-CB 4.09Å
60	T	95.4	Very high	96.3	Very high	61 Å²	61	64.2 Å²	64.2	37%	0.374	34%	0.338	S	S	.	.	S	Bend	trans	-98.5	-127.4	-176.2	48.9	0	0	0	0	110.1	W57 D64	W57-T60 HydrophobicContact CZ2-CG2 3.96Å; W57-T60 PolarHBondContact NE1-OG1 2.95Å; W57-T60 VanDerWaalsContact NE1-OG1 3.08Å; T60-D64 VanDerWaalsContact OG1-CB 3.27Å; T60-D64 WeakPolarHBondContact OG1-CB 3.19Å; T60-D64 PolarHBondContact OG1-OD2 2.79Å
61	S	93.8	Very high	96.2	Very high	51 Å²	51	65.7 Å²	65.7	36%	0.357	35%	0.345	S	S	.	.			trans	-131.2	162.1	-176.8	68.4	0	0	0	0	110.2	E63 D64 Y67	S61-E63 WeakPolarHBondContact CB-OE2 3.29Å; S61-E63 PolarHBondContact O-N 2.78Å; S61-E63 PolarHBondContact OG-OE2 2.87Å; S61-D64 WeakPolarHBondContact O-CB 3.38Å; S61-D64 PolarHBondContact O-N 3.01Å; S61-Y67 VanDerWaalsContact O-CB 3.28Å; S61-Y67 WeakPolarHBondContact O-CB 3.28Å; S61-Y67 WeakPolarHBondContact O-CD2 3.31Å
62	P	92.9	Very high	96.2	Very high	93 Å²	93	64.6 Å²	64.6	60%	0.604	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-16.3	-178.4	-26	36.4	0	0	0	115.7	D64 Y67	P62-D64 VanDerWaalsContact C-N 3.33Å; P62-Y67 HydrophobicContact CB-CD1 4.24Å; P62-Y67 HydrophobicContact CB-CE1 4.36Å; P62-Y67 HydrophobicContact CG-CD1 4.36Å; P62-Y67 HydrophobicContact CG-CE1 4.04Å
63	E	94.8	Very high	96.2	Very high	155 Å²	155	62.5 Å²	62.5	72%	0.724	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.2	176.1	-55.2	74.3	-157	0	0	112.9	S61 I65	S61-E63 WeakPolarHBondContact CB-OE2 3.29Å; S61-E63 PolarHBondContact O-N 2.78Å; S61-E63 PolarHBondContact OG-OE2 2.87Å; E63-I65 PolarHBondContact O-N 2.7Å
64	D	93.8	Very high	96.3	Very high	46 Å²	46	64.5 Å²	64.5	25%	0.246	32%	0.324	C	S	.	.	S	Bend	trans	-71.3	125.1	171.2	-177.7	-13.2	0	0	0	109.3	W57 T60 S61 P62 N66 Y67	W57-D64 PolarHBondContact NE1-OD2 2.77Å; T60-D64 VanDerWaalsContact OG1-CB 3.27Å; T60-D64 WeakPolarHBondContact OG1-CB 3.19Å; T60-D64 PolarHBondContact OG1-OD2 2.79Å; S61-D64 WeakPolarHBondContact O-CB 3.38Å; S61-D64 PolarHBondContact O-N 3.01Å; P62-D64 VanDerWaalsContact C-N 3.33Å; D64-N66 PolarHBondContact O-N 2.92Å; D64-N66 VanDerWaalsContact O-N 3.08Å; D64-N66 PolarHBondContact OD1-N 2.8Å; D64-N66 PolarHBondContact OD1-ND2 3.33Å; D64-Y67 WeakPolarHBondContact O-CB 3.17Å; D64-Y67 PolarHBondContact O-N 3.22Å
65	I	91.9	Very high	96.3	Very high	162 Å²	162	67.2 Å²	67.2	83%	0.831	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.8	-179.5	-165.2	163.3	0	0	0	112.9	E63	E63-I65 PolarHBondContact O-N 2.7Å
66	N	93.1	Very high	96.1	Very high	114 Å²	114	68.3 Å²	68.3	61%	0.61	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	0.3	177.8	-55.2	-67.1	0	0	0	112.8	D64 A68	D64-N66 PolarHBondContact O-N 2.92Å; D64-N66 VanDerWaalsContact O-N 3.08Å; D64-N66 PolarHBondContact OD1-N 2.8Å; D64-N66 PolarHBondContact OD1-ND2 3.33Å; N66-A68 PolarHBondContact O-N 2.85Å
67	Y	97	Very high	96	Very high	59 Å²	59	69.5 Å²	69.5	23%	0.231	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-68.2	118.2	-176	-176.8	-94.4	0	0	0	112.5	W57 S61 P62 D64	W57-Y67 CarbonylContact O-C 3.34Å; W57-Y67 VanDerWaalsContact O-CA 3.28Å; W57-Y67 WeakPolarHBondContact O-CA 3.27Å; S61-Y67 VanDerWaalsContact O-CB 3.28Å; S61-Y67 WeakPolarHBondContact O-CB 3.28Å; S61-Y67 WeakPolarHBondContact O-CD2 3.31Å; P62-Y67 HydrophobicContact CB-CD1 4.24Å; P62-Y67 HydrophobicContact CB-CE1 4.36Å; P62-Y67 HydrophobicContact CG-CD1 4.36Å; P62-Y67 HydrophobicContact CG-CE1 4.04Å; D64-Y67 WeakPolarHBondContact O-CB 3.17Å; D64-Y67 PolarHBondContact O-N 3.22Å
68	A	97.7	Very high	95.9	Very high	6 Å²	6	68 Å²	68	5%	0.05	34%	0.344	C	S	.	.			trans	-89.7	108.8	173.8	0	0	0	0	0	110.9	Y56 W57 S58 N66	Y56-A68 HydrophobicContact CD1-CB 3.71Å; Y56-A68 HydrophobicContact CG-CB 4.05Å; W57-A68 PolarHBondContact O-N 3.13Å; S58-A68 PolarHBondContact OG-O 3.5Å; N66-A68 PolarHBondContact O-N 2.85Å
69	S	97.2	Very high	95.8	Very high	41 Å²	41	72.3 Å²	72.3	29%	0.287	36%	0.363	S	S	.	.			trans	-81.1	168.3	176.5	69.4	0	0	0	0	113	K71 Q72 V73	S69-K71 PolarHBondContact O-N 3Å; S69-K71 PolarHBondContact OG-N 2.58Å; S69-Q72 PolarHBondContact O-N 3.44Å; S69-Q72 VanDerWaalsContact O-N 3.11Å; S69-Q72 PolarHBondContact OG-N 2.71Å; S69-V73 PolarHBondContact O-N 2.88Å; S69-V73 VanDerWaalsContact O-N 3.13Å
70	Q	97.5	Very high	95.6	Very high	66 Å²	66	73.8 Å²	73.8	31%	0.308	37%	0.37	S	S	.	.	H	α-helix	trans	-52.4	-40.3	168.2	-66.8	-64	94.9	0	0	111.6	Q72 V73 Y74 Y105	Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 3.3Å; Q70-V73 PolarHBondContact O-N 3.08Å; Q70-Y74 PolarHBondContact O-N 3.25Å; Q70-Y105 HydrophobicContact CG-CE1 4.49Å; Q70-Y105 PolarHBondContact NE2-O 3.15Å
71	K	97.2	Very high	95.6	Very high	129 Å²	129	72.4 Å²	72.4	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-64.7	-37.9	180	-174.5	175.8	-177.8	179	0	111.8	S69 R75	S69-K71 PolarHBondContact O-N 3Å; S69-K71 PolarHBondContact OG-N 2.58Å; K71-R75 VanDerWaalsContact CE-CZ 3.49Å; K71-R75 VanDerWaalsContact CE-NH2 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.28Å; K71-R75 VanDerWaalsContact O-CG 3.31Å; K71-R75 WeakPolarHBondContact O-CG 3.34Å; K71-R75 PolarHBondContact O-N 2.97Å
72	Q	96.9	Very high	95.7	Very high	70 Å²	70	73.7 Å²	73.7	33%	0.327	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-48.6	175.9	-171.4	60	38.6	0	0	110.8	S69 Q70 Y74 R75 D76	S69-Q72 PolarHBondContact O-N 3.44Å; S69-Q72 VanDerWaalsContact O-N 3.11Å; S69-Q72 PolarHBondContact OG-N 2.71Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 3.3Å; Q72-Y74 VanDerWaalsContact C-N 3.29Å; Q72-Y74 PolarHBondContact O-N 3.47Å; Q72-R75 PolarHBondContact O-N 2.65Å; Q72-R75 VanDerWaalsContact O-N 3.11Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.41Å; Q72-D76 PolarHBondContact NE2-OD1 3.22Å; Q72-D76 PolarHBondContact NE2-OD2 3.28Å; Q72-D76 PolarHBondContact O-N 3.08Å
73	V	97.4	Very high	95.8	Very high	17 Å²	17	74 Å²	74	10%	0.103	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-40.9	177.6	178.2	0	0	0	0	111.8	Y56 S69 Q70 I77 T106	Y56-V73 HydrophobicContact CD1-CG2 4.24Å; Y56-V73 HydrophobicContact CD2-CG2 3.92Å; Y56-V73 HydrophobicContact CE1-CG2 4.36Å; Y56-V73 HydrophobicContact CE2-CG1 4.32Å; Y56-V73 HydrophobicContact CE2-CG2 4.03Å; Y56-V73 HydrophobicContact CG-CG2 4.03Å; S69-V73 PolarHBondContact O-N 2.88Å; S69-V73 VanDerWaalsContact O-N 3.13Å; Q70-V73 PolarHBondContact O-N 3.08Å; V73-I77 PolarHBondContact O-N 2.91Å; V73-I77 VanDerWaalsContact O-N 3.08Å; V73-T106 HydrophobicContact CG1-CG2 4.32Å
74	Y	97.8	Very high	95.8	Very high	118 Å²	118	69.3 Å²	69.3	46%	0.463	33%	0.334	S	S	.	.	I	π-helix	trans	-65.1	-42.1	175.3	177	-97	0	0	0	112.5	Q70 Q72 G78 E79	Q70-Y74 PolarHBondContact O-N 3.25Å; Q72-Y74 VanDerWaalsContact C-N 3.29Å; Q72-Y74 PolarHBondContact O-N 3.47Å; Y74-G78 CarbonylContact O-C 3.52Å; Y74-G78 WeakPolarHBondContact O-CA 3.31Å; Y74-G78 PolarHBondContact O-N 3.15Å; Y74-E79 HydrophobicContact CD1-CG 4.03Å; Y74-E79 HydrophobicContact CE1-CG 3.58Å; Y74-E79 PolarHBondContact O-N 3.12Å
75	R	97.4	Very high	95.9	Very high	119 Å²	119	69.6 Å²	69.6	45%	0.449	34%	0.343	S	S	.	.	I	π-helix	trans	-63.7	-45.3	177.3	-78.3	171.4	168.4	-170.5	-9.3	112.4	K71 Q72	K71-R75 VanDerWaalsContact CE-CZ 3.49Å; K71-R75 VanDerWaalsContact CE-NH2 3.31Å; K71-R75 WeakPolarHBondContact O-CB 3.28Å; K71-R75 VanDerWaalsContact O-CG 3.31Å; K71-R75 WeakPolarHBondContact O-CG 3.34Å; K71-R75 PolarHBondContact O-N 2.97Å; Q72-R75 PolarHBondContact O-N 2.65Å; Q72-R75 VanDerWaalsContact O-N 3.11Å
76	D	95.6	Very high	96.1	Very high	41 Å²	41	69.6 Å²	69.6	22%	0.219	34%	0.337	C	S	.	.	I	π-helix	trans	-75.4	-32.4	-173.4	-69.1	-18.4	0	0	0	113.1	Y54 Y56 Q72	Y54-D76 HydrophobicContact CD1-CB 4.27Å; Y54-D76 HydrophobicContact CE1-CB 3.89Å; Y56-D76 HydrophobicContact CE1-CB 4.47Å; Y56-D76 WeakPolarHBondContact CE1-OD2 3.43Å; Y56-D76 WeakPolarHBondContact OH-CB 3.27Å; Q72-D76 WeakPolarHBondContact CG-OD2 3.41Å; Q72-D76 PolarHBondContact NE2-OD1 3.22Å; Q72-D76 PolarHBondContact NE2-OD2 3.28Å; Q72-D76 PolarHBondContact O-N 3.08Å
77	I	95.3	Very high	96.3	Very high	37 Å²	37	69 Å²	69	19%	0.19	33%	0.331	C	S	.	.	I	π-helix	trans	-117.3	-49.8	-177.2	-59.4	173.9	0	0	0	111.4	A9 Y56 V73 M81 I93	A9-I77 HydrophobicContact CB-CD1 3.72Å; Y56-I77 HydrophobicContact CE2-CD1 3.95Å; V73-I77 PolarHBondContact O-N 2.91Å; V73-I77 VanDerWaalsContact O-N 3.08Å; I77-M81 HydrophobicContact CG2-CG 4.1Å; I77-M81 VanDerWaalsContact O-CB 3.28Å; I77-M81 WeakPolarHBondContact O-CB 3.41Å; I77-M81 WeakPolarHBondContact O-CG 3.42Å; I77-M81 PolarHBondContact O-N 3.25Å; I77-I93 HydrophobicContact CG2-CD1 4.08Å
78	G	95.7	Very high	96.2	Very high	13 Å²	13	69.4 Å²	69.4	13%	0.134	35%	0.352	C	S	.	.	I	π-helix	trans	-62.9	-45.2	-173.3	0	0	0	0	0	113.8	Y74 M81 L82	Y74-G78 CarbonylContact O-C 3.52Å; Y74-G78 WeakPolarHBondContact O-CA 3.31Å; Y74-G78 PolarHBondContact O-N 3.15Å; G78-M81 PolarHBondContact O-N 3.2Å; G78-L82 WeakPolarHBondContact O-CB 3.43Å; G78-L82 PolarHBondContact O-N 3.39Å
79	E	96.8	Very high	96	Very high	95 Å²	95	75.8 Å²	75.8	44%	0.444	38%	0.376	S	S	.	.	H	α-helix	trans	-64.8	-44.4	-177.9	-70.9	-178.5	177.5	0	0	112.1	Y74 L82 Q83	Y74-E79 HydrophobicContact CD1-CG 4.03Å; Y74-E79 HydrophobicContact CE1-CG 3.58Å; Y74-E79 PolarHBondContact O-N 3.12Å; E79-L82 PolarHBondContact O-N 3.04Å; E79-Q83 WeakPolarHBondContact O-CB 3.27Å; E79-Q83 PolarHBondContact O-N 2.95Å
80	E	93.6	Very high	95.9	Very high	56 Å²	56	82.2 Å²	82.2	26%	0.262	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-45.6	176.2	-176.9	-170.1	-167.2	0	0	111.7	K7 L82 Q83 H84	K7-E80 VanDerWaalsContact CE-OE1 3.29Å; K7-E80 WeakPolarHBondContact CE-OE1 3.3Å; K7-E80 WeakPolarHBondContact CE-OE2 3.41Å; K7-E80 IonicContact NZ-OE1 3.58Å; K7-E80 PolarHBondContact NZ-OE1 3.45Å; K7-E80 IonicContact NZ-OE2 2.87Å; K7-E80 PolarHBondContact NZ-OE2 2.94Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.88Å; E80-Q83 WeakPolarHBondContact O-CB 3.32Å; E80-Q83 PolarHBondContact O-N 3.28Å; E80-H84 PolarHBondContact O-CD2 2.93Å; E80-H84 PolarHBondContact O-N 2.99Å; E80-H84 IonicContact OE1-CE1 3.94Å
81	M	94	Very high	95.7	Very high	32 Å²	32	81.7 Å²	81.7	16%	0.158	41%	0.408	C	S	.	.	H	α-helix	trans	-63.7	-36.1	178	-71.9	-51.7	104.6	0	0	111.6	I77 G78 A85 V91 I93	I77-M81 HydrophobicContact CG2-CG 4.1Å; I77-M81 VanDerWaalsContact O-CB 3.28Å; I77-M81 WeakPolarHBondContact O-CB 3.41Å; I77-M81 WeakPolarHBondContact O-CG 3.42Å; I77-M81 PolarHBondContact O-N 3.25Å; G78-M81 PolarHBondContact O-N 3.2Å; M81-A85 PolarHBondContact O-N 3.31Å; M81-A85 VanDerWaalsContact O-N 3.12Å; M81-V91 HydrophobicContact CB-CG1 3.67Å; M81-V91 HydrophobicContact CG-CG1 4Å; M81-V91 WeakPolarHBondContact O-CG2 3.47Å; M81-V91 HydrophobicContact SD-CG1 3.71Å; M81-I93 HydrophobicContact CB-CD1 3.9Å; M81-I93 HydrophobicContact CB-CG1 4.43Å; M81-I93 HydrophobicContact CG-CD1 3.79Å; M81-I93 HydrophobicContact CG-CG1 3.97Å
82	L	96.1	Very high	95.7	Very high	79 Å²	79	80.4 Å²	80.4	41%	0.414	42%	0.415	S	S	.	.	H	α-helix	trans	-65.3	-43.5	173	178.9	62.6	0	0	0	111.5	G78 E79 E80 H84 A85 F86	G78-L82 WeakPolarHBondContact O-CB 3.43Å; G78-L82 PolarHBondContact O-N 3.39Å; E79-L82 PolarHBondContact O-N 3.04Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.88Å; L82-H84 PolarHBondContact O-N 2.75Å; L82-A85 WeakPolarHBondContact O-CB 3.47Å; L82-A85 PolarHBondContact O-N 3.41Å; L82-A85 VanDerWaalsContact O-N 3.17Å; L82-F86 HydrophobicContact CD1-CD2 4.16Å; L82-F86 HydrophobicContact CD1-CE2 3.71Å; L82-F86 HydrophobicContact CD2-CE2 4.28Å; L82-F86 HydrophobicContact CG-CD2 4.04Å; L82-F86 HydrophobicContact CG-CE2 3.77Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.27Å; L82-F86 PolarHBondContact O-N 2.87Å
83	Q	95.4	Very high	95.6	Very high	99 Å²	99	80.9 Å²	80.9	46%	0.463	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-44.9	176.6	-178.4	57.5	41.9	0	0	111.4	E79 E80 A85 F86 E87	E79-Q83 WeakPolarHBondContact O-CB 3.27Å; E79-Q83 PolarHBondContact O-N 2.95Å; E80-Q83 WeakPolarHBondContact O-CB 3.32Å; E80-Q83 PolarHBondContact O-N 3.28Å; Q83-A85 VanDerWaalsContact C-N 3.26Å; Q83-A85 PolarHBondContact O-N 2.72Å; Q83-F86 WeakPolarHBondContact O-CB 3.37Å; Q83-F86 PolarHBondContact O-N 3.22Å; Q83-F86 VanDerWaalsContact O-N 3.08Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.46Å; Q83-E87 PolarHBondContact NE2-OE1 3.1Å; Q83-E87 WeakPolarHBondContact O-CG 3.45Å; Q83-E87 PolarHBondContact O-N 3.47Å
84	H	93.9	Very high	95.6	Very high	56 Å²	56	87.5 Å²	87.5	26%	0.259	45%	0.446	S	S	.	.	H	α-helix	trans	-59.6	-37.4	174.8	-71.8	-175.5	0	0	0	112.3	E80 L82 E87 G88 Y89 V91	E80-H84 PolarHBondContact O-CD2 2.93Å; E80-H84 PolarHBondContact O-N 2.99Å; E80-H84 IonicContact OE1-CE1 3.94Å; L82-H84 PolarHBondContact O-N 2.75Å; H84-E87 IonicContact CD2-OE2 2.71Å; H84-E87 PolarHBondContact O-N 2.95Å; H84-G88 PolarHBondContact O-N 2.95Å; H84-Y89 HydrophobicContact CB-CD2 4.25Å; H84-Y89 WeakPolarHBondContact O-CB 3.39Å; H84-Y89 PolarHBondContact O-N 3.44Å; H84-V91 HydrophobicContact CB-CG2 3.67Å
85	A	95.9	Very high	95.6	Very high	53 Å²	53	83.7 Å²	83.7	44%	0.438	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-39.4	174.9	0	0	0	0	0	112	M81 L82 Q83 E87 G88 V91	M81-A85 PolarHBondContact O-N 3.31Å; M81-A85 VanDerWaalsContact O-N 3.12Å; L82-A85 WeakPolarHBondContact O-CB 3.47Å; L82-A85 PolarHBondContact O-N 3.41Å; L82-A85 VanDerWaalsContact O-N 3.17Å; Q83-A85 VanDerWaalsContact C-N 3.26Å; Q83-A85 PolarHBondContact O-N 2.72Å; A85-E87 VanDerWaalsContact C-N 3.29Å; A85-E87 PolarHBondContact O-N 3.23Å; A85-G88 PolarHBondContact O-N 2.96Å; A85-G88 VanDerWaalsContact O-N 3.13Å; A85-V91 HydrophobicContact CB-CG2 4.36Å
86	F	96.8	Very high	95.6	Very high	162 Å²	162	88.4 Å²	88.4	71%	0.711	46%	0.459	S	S	*	.	H	α-helix	trans	-65.4	-30.7	173.7	-82.2	-67.7	0	0	0	113.4	L82 Q83 G88	L82-F86 HydrophobicContact CD1-CD2 4.16Å; L82-F86 HydrophobicContact CD1-CE2 3.71Å; L82-F86 HydrophobicContact CD2-CE2 4.28Å; L82-F86 HydrophobicContact CG-CD2 4.04Å; L82-F86 HydrophobicContact CG-CE2 3.77Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.27Å; L82-F86 PolarHBondContact O-N 2.87Å; Q83-F86 WeakPolarHBondContact O-CB 3.37Å; Q83-F86 PolarHBondContact O-N 3.22Å; Q83-F86 VanDerWaalsContact O-N 3.08Å; F86-G88 PolarHBondContact O-N 2.8Å
87	E	96.5	Very high	95.7	Very high	102 Å²	102	87.9 Å²	87.9	48%	0.477	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.2	174.6	-70.5	165.9	-170.3	0	0	113.2	Q83 H84 A85 Y89	Q83-E87 WeakPolarHBondContact CG-OE1 3.46Å; Q83-E87 PolarHBondContact NE2-OE1 3.1Å; Q83-E87 WeakPolarHBondContact O-CG 3.45Å; Q83-E87 PolarHBondContact O-N 3.47Å; H84-E87 IonicContact CD2-OE2 2.71Å; H84-E87 PolarHBondContact O-N 2.95Å; A85-E87 VanDerWaalsContact C-N 3.29Å; A85-E87 PolarHBondContact O-N 3.23Å; E87-Y89 HydrophobicContact CB-CD2 3.71Å; E87-Y89 HydrophobicContact CB-CE2 3.74Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.43Å
88	G	95.4	Very high	95.9	Very high	66 Å²	66	93.2 Å²	93.2	68%	0.68	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	15.5	178	0	0	0	0	0	114.2	H84 A85 F86	H84-G88 PolarHBondContact O-N 2.95Å; A85-G88 PolarHBondContact O-N 2.96Å; A85-G88 VanDerWaalsContact O-N 3.13Å; F86-G88 PolarHBondContact O-N 2.8Å
89	Y	94.6	Very high	96	Very high	141 Å²	141	98.9 Å²	98.9	55%	0.553	52%	0.519	S	S	*	.			trans	-81.6	147.8	172.9	-62.9	-69	0	0	0	112	H84 E87	H84-Y89 HydrophobicContact CB-CD2 4.25Å; H84-Y89 WeakPolarHBondContact O-CB 3.39Å; H84-Y89 PolarHBondContact O-N 3.44Å; E87-Y89 HydrophobicContact CB-CD2 3.71Å; E87-Y89 HydrophobicContact CB-CE2 3.74Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.43Å
90	N	94.1	Very high	96	Very high	175 Å²	175	96.9 Å²	96.9	94%	0.936	52%	0.524	S	S	*	.			trans	-76.1	125.8	168.1	-68.3	-43.3	0	0	0	109.5
91	V	94.2	Very high	96.2	Very high	55 Å²	55	95.9 Å²	95.9	33%	0.333	53%	0.525	S	S	.	.			trans	-120.7	139.5	-174.8	174.9	0	0	0	0	109.4	M81 H84 A85	M81-V91 HydrophobicContact CB-CG1 3.67Å; M81-V91 HydrophobicContact CG-CG1 4Å; M81-V91 WeakPolarHBondContact O-CG2 3.47Å; M81-V91 HydrophobicContact SD-CG1 3.71Å; H84-V91 HydrophobicContact CB-CG2 3.67Å; A85-V91 HydrophobicContact CB-CG2 4.36Å
92	C	95.4	Very high	96.4	Very high	103 Å²	103	95.3 Å²	95.3	70%	0.696	53%	0.528	S	S	*	.			trans	-138.2	127.3	174.8	-176.8	0	0	0	0	110.1
93	I	96.4	Very high	96.5	Very high	80 Å²	80	94.7 Å²	94.7	41%	0.41	52%	0.521	S	S	.	.			trans	-120.7	126.7	169.5	-55.5	173.3	0	0	0	106.9	I77 M81 M107	I77-I93 HydrophobicContact CG2-CD1 4.08Å; M81-I93 HydrophobicContact CB-CD1 3.9Å; M81-I93 HydrophobicContact CB-CG1 4.43Å; M81-I93 HydrophobicContact CG-CD1 3.79Å; M81-I93 HydrophobicContact CG-CG1 3.97Å; I93-M107 HydrophobicContact CB-CE 4.45Å; I93-M107 HydrophobicContact CG2-CE 4.25Å; I93-M107 HydrophobicContact CG2-SD 4.06Å
94	F	96.6	Very high	96.6	Very high	155 Å²	155	94.4 Å²	94.4	68%	0.68	53%	0.53	S	S	*	.			trans	-132.1	141.4	173.8	63.3	-86.3	0	0	0	110.3
95	A	98	Very high	96.8	Very high	39 Å²	39	96.8 Å²	96.8	32%	0.322	54%	0.538	S	S	.	.			trans	-97.6	126.5	175.7	0	0	0	0	0	110.1	K103 M107	A95-K103 HydrophobicContact CB-CB 3.94Å; A95-K103 HydrophobicContact CB-CG 4.18Å; A95-K103 WeakPolarHBondContact O-CD 3.25Å; A95-M107 HydrophobicContact CB-CG 3.77Å; A95-M107 HydrophobicContact CB-SD 4.09Å
96	Y	98.3	Very high	96.9	Very high	218 Å²	218	96.6 Å²	96.6	86%	0.855	53%	0.531	S	S	*	.			trans	-118.2	144.9	178.6	-179.9	-96.6	0	0	0	111.5
97	G	97.8	Very high	96.9	Very high	29 Å²	29	92.9 Å²	92.9	30%	0.299	52%	0.517	S	S	.	.			trans	151.9	170.7	178.3	0	0	0	0	0	113	K103	G97-K103 PolarHBondContact O-NZ 2.84Å
98	Q	97.9	Very high	96.8	Very high	150 Å²	150	96 Å²	96	70%	0.701	53%	0.534	S	S	*	.	S	Bend	trans	-60.8	162.8	179.1	66	172.9	86	0	0	113.1	G100 A101 K103	Q98-G100 PolarHBondContact O-N 2.77Å; Q98-A101 HydrophobicContact CG-CB 3.89Å; Q98-A101 WeakPolarHBondContact O-CB 3.37Å; Q98-A101 PolarHBondContact O-N 2.89Å; Q98-A101 VanDerWaalsContact O-N 3.13Å; Q98-K103 PolarHBondContact O-NZ 3.02Å
99	T	97.8	Very high	96.4	Very high	132 Å²	132	96.7 Å²	96.7	81%	0.81	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	134.3	169.6	-58.8	0	0	0	0	110.1	A101	T99-A101 VanDerWaalsContact C-N 3.33Å; T99-A101 PolarHBondContact O-N 2.84Å
100	G	96.8	Very high	96.5	Very high	53 Å²	53	94.5 Å²	94.5	55%	0.546	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	4.7	-175.2	0	0	0	0	0	115.6	R13 Q98 G102	R13-G100 VanDerWaalsContact CD-O 3.28Å; R13-G100 WeakPolarHBondContact CD-O 3.46Å; R13-G100 PolarHBondContact NE-O 3.13Å; Q98-G100 PolarHBondContact O-N 2.77Å; G100-G102 VanDerWaalsContact C-N 3.3Å; G100-G102 PolarHBondContact O-N 3.06Å
101	A	97.6	Very high	96.6	Very high	34 Å²	34	90.3 Å²	90.3	28%	0.281	52%	0.519	S	S	.	.	S	Bend	trans	-75.9	-11.2	178.3	0	0	0	0	0	114.9	Q98 T99	Q98-A101 HydrophobicContact CG-CB 3.89Å; Q98-A101 WeakPolarHBondContact O-CB 3.37Å; Q98-A101 PolarHBondContact O-N 2.89Å; Q98-A101 VanDerWaalsContact O-N 3.13Å; T99-A101 VanDerWaalsContact C-N 3.33Å; T99-A101 PolarHBondContact O-N 2.84Å
102	G	97.9	Very high	96.7	Very high	21 Å²	21	92.2 Å²	92.2	22%	0.216	53%	0.53	C	S	.	.	S	Bend	trans	101.1	21.5	-178.4	0	0	0	0	0	115.5	G100 T106	G100-G102 VanDerWaalsContact C-N 3.3Å; G100-G102 PolarHBondContact O-N 3.06Å; G102-T106 WeakPolarHBondContact O-CB 3.48Å; G102-T106 PolarHBondContact O-N 2.94Å; G102-T106 PolarHBondContact O-OG1 3.04Å
103	K	98.4	Very high	96.8	Very high	65 Å²	65	91.6 Å²	91.6	28%	0.283	52%	0.52	S	S	.	.	H	α-helix	trans	-57	-57.7	176.5	-62.9	-172.7	-65.4	-76.6	0	112.5	A95 G97 Q98 Y105 T106 M107	A95-K103 HydrophobicContact CB-CB 3.94Å; A95-K103 HydrophobicContact CB-CG 4.18Å; A95-K103 WeakPolarHBondContact O-CD 3.25Å; G97-K103 PolarHBondContact O-NZ 2.84Å; Q98-K103 PolarHBondContact O-NZ 3.02Å; K103-Y105 PolarHBondContact O-N 2.91Å; K103-T106 PolarHBondContact O-N 2.81Å; K103-M107 WeakPolarHBondContact O-CG 3.46Å; K103-M107 PolarHBondContact O-N 3.19Å; K103-M107 VanDerWaalsContact O-N 3.08Å
104	S	97.9	Very high	96.8	Very high	93 Å²	93	92.3 Å²	92.3	65%	0.65	53%	0.527	S	S	*	.	H	α-helix	trans	-63.9	-40.4	179.3	-51.5	0	0	0	0	112.1	T106 M107 M108 G109	S104-T106 VanDerWaalsContact C-N 3.25Å; S104-T106 PolarHBondContact O-N 2.85Å; S104-M107 PolarHBondContact O-N 2.79Å; S104-M108 PolarHBondContact O-N 3.48Å; S104-G109 PolarHBondContact O-N 3.06Å
105	Y	97.8	Very high	96.9	Very high	107 Å²	107	88.1 Å²	88.1	42%	0.42	52%	0.517	S	S	.	.	H	α-helix	trans	-57.5	-38	175.1	177.8	-95.4	0	0	0	112.7	Q70 K103 G109	Q70-Y105 HydrophobicContact CG-CE1 4.49Å; Q70-Y105 PolarHBondContact NE2-O 3.15Å; K103-Y105 PolarHBondContact O-N 2.91Å; Y105-G109 WeakPolarHBondContact CA-OXT 3.41Å; Y105-G109 WeakPolarHBondContact CD2-OXT 3.27Å; Y105-G109 WeakPolarHBondContact O-CA 3.4Å; Y105-G109 PolarHBondContact O-N 2.93Å; Y105-G109 VanDerWaalsContact O-N 3.13Å
106	T	98.1	Very high	96.8	Very high	48 Å²	48	91.6 Å²	91.6	29%	0.294	53%	0.53	S	S	.	.	H	α-helix	trans	-75	-39.7	178	-59.2	0	0	0	0	112.1	R11 V73 G102 K103 S104	R11-T106 PolarHBondContact NH1-OG1 3.15Å; R11-T106 VanDerWaalsContact NH1-OG1 3.11Å; V73-T106 HydrophobicContact CG1-CG2 4.32Å; G102-T106 WeakPolarHBondContact O-CB 3.48Å; G102-T106 PolarHBondContact O-N 2.94Å; G102-T106 PolarHBondContact O-OG1 3.04Å; K103-T106 PolarHBondContact O-N 2.81Å; S104-T106 VanDerWaalsContact C-N 3.25Å; S104-T106 PolarHBondContact O-N 2.85Å
107	M	96.8	Very high	96.7	Very high	85 Å²	85	81.9 Å²	81.9	42%	0.419	51%	0.506	S	S	.	.	H	α-helix	trans	-81.1	-32.8	-176.3	-65.9	-59.6	-64.1	0	0	114.1	I93 A95 K103 S104	I93-M107 HydrophobicContact CB-CE 4.45Å; I93-M107 HydrophobicContact CG2-CE 4.25Å; I93-M107 HydrophobicContact CG2-SD 4.06Å; A95-M107 HydrophobicContact CB-CG 3.77Å; A95-M107 HydrophobicContact CB-SD 4.09Å; K103-M107 WeakPolarHBondContact O-CG 3.46Å; K103-M107 PolarHBondContact O-N 3.19Å; K103-M107 VanDerWaalsContact O-N 3.08Å; S104-M107 PolarHBondContact O-N 2.79Å
108	M	95.1	Very high	96.6	Very high	168 Å²	168	86.3 Å²	86.3	83%	0.828	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-25.8	-169.8	-63.9	-66.4	165.5	0	0	113.8	S104	S104-M108 PolarHBondContact O-N 3.48Å
109	G	86.6	Confident	96.4	Very high	80 Å²	80	80.5 Å²	80.5	83%	0.825	51%	0.507	S	S	*	.			trans	98.6	0	-169.1	0	0	0	0	0	111.9	S104 Y105	S104-G109 PolarHBondContact O-N 3.06Å; Y105-G109 WeakPolarHBondContact CA-OXT 3.41Å; Y105-G109 WeakPolarHBondContact CD2-OXT 3.27Å; Y105-G109 WeakPolarHBondContact O-CA 3.4Å; Y105-G109 PolarHBondContact O-N 2.93Å; Y105-G109 VanDerWaalsContact O-N 3.13Å

Retrieved 109 of 109 residues in 53.9 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).