A0A059U2V6_CAPHI Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB , UniProt , Accession A0A059U2V6, Species CAPHI (Capra hircus, Goat), Gene LOC106502770, Length 95 aa.

						>A0A059U2V6_CAPHI|A0A059U2V6|LOC106502770
MRLLLLTFTVLVFLPQVTPAYGGRKRCWNNSGRCKKKCAADEVIRAVCKNRQSCCVSQLAVFVKETITSSPSTNGWEEEAMDRIVSVASTSTYLE
					

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	58.9	Low	61.3	Low	207 Å²	207	128.8 Å²	128.8	100%	1.02	65%	0.648	S	S	*	*				0	27.3	0	-56.1	-59.7	-171.5	0	0	114.2
2	R	61.4	Low	61.4	Low	218 Å²	218	125.6 Å²	125.6	82%	0.823	64%	0.639	S	S	*	*			trans	-115.7	-28.3	178.4	-68.5	-177.6	175.2	172.9	-1.1	113.4	L4	R2-L4 PolarHBondContact O-N 3.33Å
3	L	59.2	Low	61.2	Low	142 Å²	142	127 Å²	127	74%	0.743	64%	0.639	S	S	*	*	H	α-helix	trans	-63.3	-38.8	175.4	-114.3	82.8	0	0	0	112.9	L5 L6 T7	L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 3.49Å; L3-L6 PolarHBondContact O-N 3.15Å; L3-T7 PolarHBondContact O-N 3.18Å; L3-T7 VanDerWaalsContact O-N 3.15Å
4	L	64.2	Low	60.8	Low	107 Å²	107	125.4 Å²	125.4	56%	0.56	63%	0.632	S	S	*	*	H	α-helix	trans	-62.8	-35.1	-177	-66.6	172.6	0	0	0	112.3	R2 T7 F8	R2-L4 PolarHBondContact O-N 3.33Å; L4-T7 WeakPolarHBondContact CA-OG1 3.46Å; L4-T7 PolarHBondContact O-N 3.47Å; L4-T7 PolarHBondContact O-OG1 3.36Å; L4-F8 VanDerWaalsContact O-CD2 3.28Å; L4-F8 WeakPolarHBondContact O-CD2 3.18Å; L4-F8 PolarHBondContact O-N 3.46Å
5	L	62.3	Low	60.7	Low	124 Å²	124	122.7 Å²	122.7	65%	0.649	63%	0.627	S	S	*	*	H	α-helix	trans	-68.9	-36.6	178.6	-65.2	174.1	0	0	0	111.5	L3 F8 T9	L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 3.49Å; L5-F8 PolarHBondContact O-N 3.26Å; L5-T9 PolarHBondContact O-N 3.45Å
6	L	60.1	Low	60.3	Low	118 Å²	118	123.5 Å²	123.5	62%	0.618	63%	0.627	S	S	*	*	H	α-helix	trans	-70.9	-33.2	177.3	-68.6	176	0	0	0	112.5	L3 T9 V10	L3-L6 PolarHBondContact O-N 3.15Å; L6-T9 PolarHBondContact O-OG1 3.15Å; L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.47Å
7	T	61.4	Low	60	Low	69 Å²	69	122.9 Å²	122.9	42%	0.423	63%	0.63	S	S	.	*	H	α-helix	trans	-68.9	-36.7	175.9	50.7	0	0	0	0	111.8	L3 L4 V10 L11	L3-T7 PolarHBondContact O-N 3.18Å; L3-T7 VanDerWaalsContact O-N 3.15Å; L4-T7 WeakPolarHBondContact CA-OG1 3.46Å; L4-T7 PolarHBondContact O-N 3.47Å; L4-T7 PolarHBondContact O-OG1 3.36Å; T7-V10 PolarHBondContact O-N 2.97Å; T7-L11 WeakPolarHBondContact O-CD1 3.39Å; T7-L11 PolarHBondContact O-N 2.8Å; T7-L11 VanDerWaalsContact O-N 3.15Å
8	F	61.1	Low	59.5	Low	140 Å²	140	120.9 Å²	120.9	61%	0.614	63%	0.625	S	S	*	*	H	α-helix	trans	-65.9	-39.8	178.1	-92.3	-71.3	0	0	0	113	L4 L5 V10 L11 V12	L4-F8 VanDerWaalsContact O-CD2 3.28Å; L4-F8 WeakPolarHBondContact O-CD2 3.18Å; L4-F8 PolarHBondContact O-N 3.46Å; L5-F8 PolarHBondContact O-N 3.26Å; F8-V10 VanDerWaalsContact C-N 3.33Å; F8-V10 PolarHBondContact O-N 3.11Å; F8-L11 PolarHBondContact O-N 3.24Å; F8-V12 VanDerWaalsContact O-CG2 3.31Å; F8-V12 WeakPolarHBondContact O-CG2 3.35Å; F8-V12 PolarHBondContact O-N 3.45Å; F8-V12 VanDerWaalsContact O-N 3.11Å
9	T	61.8	Low	58.9	Low	83 Å²	83	121.2 Å²	121.2	51%	0.509	64%	0.636	S	S	.	*	H	α-helix	trans	-66	-36.1	179.5	54.6	0	0	0	0	112.4	L5 L6 F13	L5-T9 PolarHBondContact O-N 3.45Å; L6-T9 PolarHBondContact O-OG1 3.15Å; T9-F13 PolarHBondContact O-N 3.38Å
10	V	62.6	Low	58.5	Low	87 Å²	87	119.1 Å²	119.1	53%	0.527	64%	0.636	S	S	.	*	H	α-helix	trans	-69.6	-43.4	176.8	176.7	0	0	0	0	111.4	L6 T7 F8 V12 F13 L14	L6-V10 WeakPolarHBondContact O-CG2 3.44Å; L6-V10 PolarHBondContact O-N 3.47Å; T7-V10 PolarHBondContact O-N 2.97Å; F8-V10 VanDerWaalsContact C-N 3.33Å; F8-V10 PolarHBondContact O-N 3.11Å; V10-V12 VanDerWaalsContact C-N 3.3Å; V10-V12 PolarHBondContact O-N 3.26Å; V10-F13 PolarHBondContact O-N 3.41Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CD1 3.31Å; V10-L14 WeakPolarHBondContact O-CG 3.03Å; V10-L14 PolarHBondContact O-N 3.16Å; V10-L14 VanDerWaalsContact O-N 3.16Å
11	L	61.7	Low	58.1	Low	122 Å²	122	124.2 Å²	124.2	64%	0.639	65%	0.648	S	S	*	*	H	α-helix	trans	-63.5	-32	176.7	-94	106.1	0	0	0	113.6	T7 F8 P15	T7-L11 WeakPolarHBondContact O-CD1 3.39Å; T7-L11 PolarHBondContact O-N 2.8Å; T7-L11 VanDerWaalsContact O-N 3.15Å; F8-L11 PolarHBondContact O-N 3.24Å; L11-P15 WeakPolarHBondContact O-CD 3.28Å
12	V	62.3	Low	57.7	Low	90 Å²	90	117.4 Å²	117.4	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-77.5	-25.4	177.6	172.3	0	0	0	0	112.4	F8 V10 P15	F8-V12 VanDerWaalsContact O-CG2 3.31Å; F8-V12 WeakPolarHBondContact O-CG2 3.35Å; F8-V12 PolarHBondContact O-N 3.45Å; F8-V12 VanDerWaalsContact O-N 3.11Å; V10-V12 VanDerWaalsContact C-N 3.3Å; V10-V12 PolarHBondContact O-N 3.26Å; V12-P15 WeakPolarHBondContact O-CD 3.35Å
13	F	58.1	Low	57.3	Low	144 Å²	144	110.1 Å²	110.1	63%	0.632	62%	0.624	S	S	*	*	H	α-helix	trans	-82.8	-34.2	178.7	-115.8	-95.7	0	0	0	113.7	T9 V10 Q16	T9-F13 PolarHBondContact O-N 3.38Å; V10-F13 PolarHBondContact O-N 3.41Å; F13-Q16 PolarHBondContact O-N 3.24Å
14	L	56.3	Low	57.4	Low	105 Å²	105	110.6 Å²	110.6	55%	0.55	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-54.4	-42.1	179	-80.4	155.6	0	0	0	115.4	V10 Q16 V17	V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CD1 3.31Å; V10-L14 WeakPolarHBondContact O-CG 3.03Å; V10-L14 PolarHBondContact O-N 3.16Å; V10-L14 VanDerWaalsContact O-N 3.16Å; L14-Q16 PolarHBondContact O-N 3.26Å; L14-V17 WeakPolarHBondContact O-CG2 3.3Å
15	P	59	Low	57.9	Low	84 Å²	84	113.3 Å²	113.3	55%	0.545	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-72.1	-11.7	-177.8	24.1	-32.7	0	0	0	114.4	L11 V12	L11-P15 WeakPolarHBondContact O-CD 3.28Å; V12-P15 WeakPolarHBondContact O-CD 3.35Å
16	Q	54.7	Low	58.9	Low	136 Å²	136	115.6 Å²	115.6	64%	0.636	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-81.5	-19.8	-177.3	-55.7	-171.6	24.7	0	0	113.5	F13 L14	F13-Q16 PolarHBondContact O-N 3.24Å; L14-Q16 PolarHBondContact O-N 3.26Å
17	V	54.2	Low	60.1	Low	113 Å²	113	111 Å²	111	69%	0.685	60%	0.6	S	S	*	*	S	Bend	trans	-97	-5.7	-174.9	-63.6	0	0	0	0	114.2	L14 P19	L14-V17 WeakPolarHBondContact O-CG2 3.3Å; V17-P19 VanDerWaalsContact O-CD 3.3Å; V17-P19 WeakPolarHBondContact O-CD 3.43Å
18	T	50.9	Low	61.1	Low	87 Å²	87	112 Å²	112	53%	0.534	60%	0.597	S	S	.	*			trans	-105.1	100.8	168.4	54.4	0	0	0	0	109.2	A20	T18-A20 PolarHBondContact O-N 2.74Å
19	P	48.2	Very low	62.1	Low	127 Å²	127	112.1 Å²	112.1	83%	0.825	60%	0.603	S	S	*	*			trans	-72.5	62.5	163.5	32.1	-32.3	0	0	0	108	V17 Y21	V17-P19 VanDerWaalsContact O-CD 3.3Å; V17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-Y21 VanDerWaalsContact C-N 3.3Å
20	A	51.6	Low	63	Low	78 Å²	78	113.2 Å²	113.2	65%	0.645	61%	0.606	S	S	*	*			trans	-82.2	-10.8	-176.9	0	0	0	0	0	112.3	T18	T18-A20 PolarHBondContact O-N 2.74Å
21	Y	50.6	Low	64	Low	228 Å²	228	111.9 Å²	111.9	89%	0.894	60%	0.601	S	S	*	*			trans	-140.8	33.7	-171.4	-115.1	-98.3	0	0	0	114.2	P19 G23	P19-Y21 VanDerWaalsContact C-N 3.3Å; Y21-G23 PolarHBondContact O-N 3.47Å; Y21-G23 VanDerWaalsContact O-N 3.15Å
22	G	49.1	Very low	65.2	Low	64 Å²	64	106.2 Å²	106.2	66%	0.66	57%	0.572	S	S	*	*	S	Bend	trans	-75.7	96.7	159.3	0	0	0	0	0	108.1	R24	G22-R24 PolarHBondContact O-N 3.09Å
23	G	53.3	Low	66.4	Low	65 Å²	65	108.1 Å²	108.1	67%	0.67	57%	0.569	S	S	*	*			trans	-33.9	115.4	-177.2	0	0	0	0	0	111.5	Y21 K25	Y21-G23 PolarHBondContact O-N 3.47Å; Y21-G23 VanDerWaalsContact O-N 3.15Å; G23-K25 PolarHBondContact O-N 3.15Å
24	R	62.1	Low	67.8	Low	151 Å²	151	101.8 Å²	101.8	57%	0.57	54%	0.543	S	S	*	.			trans	-49.5	109.4	-173.4	-75.7	178.4	-179.9	168	-1	108.2	G22 R26 C34 K35	G22-R24 PolarHBondContact O-N 3.09Å; R24-R26 PolarHBondContact O-N 3.07Å; R24-R26 VanDerWaalsContact O-N 3.15Å; R24-C34 WeakPolarHBondContact CD-O 3.03Å; R24-C34 WeakPolarHBondContact CG-O 3.36Å; R24-K35 VanDerWaalsContact NH1-CE 3.31Å
25	K	74.4	Confident	69.2	Low	165 Å²	165	98.1 Å²	98.1	72%	0.717	52%	0.522	S	S	*	.			trans	-53.3	126.5	-178.3	-71.8	-173.1	178.4	-178.8	0	107.7	G23 C34	G23-K25 PolarHBondContact O-N 3.15Å; K25-C34 PolarHBondContact O-N 2.78Å; K25-C34 VanDerWaalsContact O-N 3.11Å; K25-C34 PolarHBondContact O-SG 3.42Å
26	R	82.6	Confident	70.5	Confident	171 Å²	171	102.7 Å²	102.7	65%	0.645	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.9	173.5	-66.7	179.9	-179.7	138.5	-6.4	108	R24 N30 G32	R24-R26 PolarHBondContact O-N 3.07Å; R24-R26 VanDerWaalsContact O-N 3.15Å; R26-N30 VanDerWaalsContact CB-OD1 3.24Å; R26-N30 WeakPolarHBondContact CB-OD1 3.38Å; R26-N30 WeakPolarHBondContact CD-OD1 3.05Å; R26-G32 CarbonylContact C-O 3.48Å; R26-G32 VanDerWaalsContact CA-O 3.26Å; R26-G32 WeakPolarHBondContact CA-O 3.41Å
27	C	85.3	Confident	71.9	Confident	21 Å²	21	104.9 Å²	104.9	14%	0.142	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	174.6	-180	61.9	0	0	0	0	108.3	N30 S31 G32 R33 C54	C27-N30 PolarHBondContact O-N 3.09Å; C27-S31 PolarHBondContact O-N 3.28Å; C27-G32 PolarHBondContact N-O 3.03Å; C27-G32 WeakPolarHBondContact O-CA 3.03Å; C27-G32 PolarHBondContact O-N 3.04Å; C27-R33 PolarHBondContact SG-N 2.87Å; C27-C54 HydrophobicContact CB-CB 3.83Å; C27-C54 WeakPolarHBondContact CB-SG 3.26Å; C27-C54 WeakPolarHBondContact SG-CA 3.43Å; C27-C54 WeakPolarHBondContact SG-CB 3.19Å; C27-C54 CovalentContact SG-SG 2.02Å; C27-C54 PolarHBondContact SG-SG 2.95Å
28	W	83.4	Confident	73.4	Confident	92 Å²	92	101.1 Å²	101.1	35%	0.348	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	64.5	177.9	-162.6	-101.9	0	0	0	113.5	N30 S31 R45 V56	W28-N30 VanDerWaalsContact C-N 3.26Å; W28-N30 PolarHBondContact O-N 2.03Å; W28-S31 WeakPolarHBondContact O-CB 3.26Å; W28-S31 PolarHBondContact O-N 2.92Å; W28-S31 PolarHBondContact O-OG 3.35Å; W28-R45 HydrophobicContact CD2-CB 4.21Å; W28-R45 HydrophobicContact CD2-CG 4.33Å; W28-R45 HydrophobicContact CE3-CB 3.88Å; W28-R45 HydrophobicContact CE3-CG 4.39Å; W28-R45 HydrophobicContact CZ2-CG 4.49Å; W28-R45 HydrophobicContact CZ3-CB 4.1Å; W28-V56 HydrophobicContact CB-CG2 3.7Å; W28-V56 HydrophobicContact CG-CG2 3.79Å
29	N	82.5	Confident	75.1	Confident	141 Å²	141	99 Å²	99	75%	0.754	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	46.2	-177.3	-162.4	44.5	0	0	0	113.8	S31	N29-S31 PolarHBondContact O-N 2.82Å; N29-S31 VanDerWaalsContact O-N 3.08Å; N29-S31 PolarHBondContact O-OG 2.74Å
30	N	80.1	Confident	77	Confident	106 Å²	106	97.9 Å²	97.9	57%	0.567	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-3.3	-178.4	-126.9	37.1	0	0	0	116.2	R26 C27 W28	R26-N30 VanDerWaalsContact CB-OD1 3.24Å; R26-N30 WeakPolarHBondContact CB-OD1 3.38Å; R26-N30 WeakPolarHBondContact CD-OD1 3.05Å; C27-N30 PolarHBondContact O-N 3.09Å; W28-N30 VanDerWaalsContact C-N 3.26Å; W28-N30 PolarHBondContact O-N 2.03Å
31	S	82.9	Confident	78.5	Confident	60 Å²	60	98.7 Å²	98.7	42%	0.42	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-12.7	-179.5	-39.8	0	0	0	0	113.3	C27 W28 N29	C27-S31 PolarHBondContact O-N 3.28Å; W28-S31 WeakPolarHBondContact O-CB 3.26Å; W28-S31 PolarHBondContact O-N 2.92Å; W28-S31 PolarHBondContact O-OG 3.35Å; N29-S31 PolarHBondContact O-N 2.82Å; N29-S31 VanDerWaalsContact O-N 3.08Å; N29-S31 PolarHBondContact O-OG 2.74Å
32	G	87.4	Confident	80.4	Confident	3 Å²	3	89 Å²	89	3%	0.031	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	165.6	-179.3	0	0	0	0	0	114	R26 C27 C55	R26-G32 CarbonylContact C-O 3.48Å; R26-G32 VanDerWaalsContact CA-O 3.26Å; R26-G32 WeakPolarHBondContact CA-O 3.41Å; C27-G32 PolarHBondContact N-O 3.03Å; C27-G32 WeakPolarHBondContact O-CA 3.03Å; C27-G32 PolarHBondContact O-N 3.04Å; G32-C55 CarbonylContact C-O 3.57Å; G32-C55 WeakPolarHBondContact CA-O 3.24Å
33	R	88.1	Confident	82.2	Confident	129 Å²	129	88.5 Å²	88.5	49%	0.487	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138	173.3	-70.4	-177	-69.9	-158.7	-3.9	111	C27 K35 C55	C27-R33 PolarHBondContact SG-N 2.87Å; R33-K35 PolarHBondContact O-N 2.93Å; R33-C55 PolarHBondContact N-O 3.1Å; R33-C55 PolarHBondContact O-N 2.84Å
34	C	87.7	Confident	84	Confident	11 Å²	11	90.4 Å²	90.4	7%	0.074	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	123.2	169.7	-60.9	0	0	0	0	110.3	R24 K25 C48 Q52 S53	R24-C34 WeakPolarHBondContact CD-O 3.03Å; R24-C34 WeakPolarHBondContact CG-O 3.36Å; K25-C34 PolarHBondContact O-N 2.78Å; K25-C34 VanDerWaalsContact O-N 3.11Å; K25-C34 PolarHBondContact O-SG 3.42Å; C34-C48 HydrophobicContact CB-CB 3.79Å; C34-C48 WeakPolarHBondContact CB-SG 3.48Å; C34-C48 WeakPolarHBondContact SG-CB 3.23Å; C34-C48 CovalentContact SG-SG 2.04Å; C34-C48 PolarHBondContact SG-SG 3.11Å; C34-Q52 HydrophobicContact CB-CB 4.41Å; C34-Q52 PolarHBondContact O-OE1 3.5Å; C34-S53 WeakPolarHBondContact CA-O 3.01Å
35	K	85.8	Confident	85.1	Confident	28 Å²	28	87.8 Å²	87.8	12%	0.122	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.8	175.9	-67.1	172.3	167.3	171.5	0	110.1	R24 R33 K37 E42 Q52 S53 C55	R24-K35 VanDerWaalsContact NH1-CE 3.31Å; R33-K35 PolarHBondContact O-N 2.93Å; K35-K37 WeakPolarHBondContact CB-O 3.06Å; K35-E42 IonicContact NZ-OE1 2.78Å; K35-E42 PolarHBondContact NZ-OE1 3.22Å; K35-E42 IonicContact NZ-OE2 2.84Å; K35-E42 PolarHBondContact NZ-OE2 2.79Å; K35-Q52 CarbonylContact O-C 3.57Å; K35-Q52 WeakPolarHBondContact O-CB 3.49Å; K35-S53 PolarHBondContact N-O 2.91Å; K35-S53 PolarHBondContact O-N 2.02Å; K35-C55 HydrophobicContact CD-CB 4.34Å
36	K	85.3	Confident	85.7	Confident	180 Å²	180	82.1 Å²	82.1	78%	0.783	42%	0.421	S	S	*	.	S	Bend	trans	-69.2	-34.5	172.3	-70.6	-176.6	178.7	179.9	0	112.8	Q52	K36-Q52 HydrophobicContact CG-CG 4.22Å
37	K	84.6	Confident	85.8	Confident	182 Å²	182	79.5 Å²	79.5	79%	0.791	42%	0.423	S	S	*	.	S	Bend	trans	-137.7	138.4	175.4	-66.8	-173.5	177.6	-176.7	0	108.3	K35	K35-K37 WeakPolarHBondContact CB-O 3.06Å
38	C	86.5	Confident	85.9	Confident	34 Å²	34	79.5 Å²	79.5	23%	0.23	42%	0.423	C	S	.	.			trans	-81.3	153.2	172.7	-58.3	0	0	0	0	110.4	E42 I44 C55	C38-E42 HydrophobicContact CB-CB 4Å; C38-I44 HydrophobicContact CB-CG1 4.32Å; C38-I44 WeakPolarHBondContact SG-CG1 3.4Å; C38-C55 WeakPolarHBondContact CA-SG 2.84Å; C38-C55 HydrophobicContact CB-CB 3.75Å; C38-C55 WeakPolarHBondContact CB-SG 3.37Å; C38-C55 VanDerWaalsContact SG-CA 3.54Å; C38-C55 WeakPolarHBondContact SG-CB 3.26Å; C38-C55 CovalentContact SG-SG 2.03Å; C38-C55 PolarHBondContact SG-SG 3.14Å
39	A	86.5	Confident	85.7	Confident	42 Å²	42	85 Å²	85	35%	0.347	45%	0.45	S	S	.	.			trans	-72.3	165.1	169.3	0	0	0	0	0	110.6	D41 E42	A39-D41 WeakPolarHBondContact CB-OD1 3.47Å; A39-D41 PolarHBondContact O-N 3.29Å; A39-E42 HydrophobicContact CB-CG 4.19Å; A39-E42 PolarHBondContact N-OE2 2.04Å; A39-E42 PolarHBondContact O-N 3.15Å; A39-E42 VanDerWaalsContact O-N 3.09Å
40	A	86.5	Confident	85.5	Confident	104 Å²	104	84.2 Å²	84.2	86%	0.86	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-26.2	-177.5	0	0	0	0	0	113.1	E42 Q58	A40-E42 VanDerWaalsContact C-N 3.35Å; A40-Q58 PolarHBondContact O-NE2 3.31Å
41	D	85	Confident	85.5	Confident	95 Å²	95	90.7 Å²	90.7	51%	0.508	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.9	177	65	-52.8	0	0	0	113.6	A39 Q58	A39-D41 WeakPolarHBondContact CB-OD1 3.47Å; A39-D41 PolarHBondContact O-N 3.29Å; D41-Q58 WeakPolarHBondContact O-CG 3.34Å; D41-Q58 PolarHBondContact O-N 2.85Å; D41-Q58 VanDerWaalsContact O-N 3.11Å
42	E	88.5	Confident	85.6	Confident	25 Å²	25	89.9 Å²	89.9	12%	0.117	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.8	180	-69	176.2	155.6	0	0	111	K35 C38 A39 A40 C55 V56	K35-E42 IonicContact NZ-OE1 2.78Å; K35-E42 PolarHBondContact NZ-OE1 3.22Å; K35-E42 IonicContact NZ-OE2 2.84Å; K35-E42 PolarHBondContact NZ-OE2 2.79Å; C38-E42 HydrophobicContact CB-CB 4Å; A39-E42 HydrophobicContact CB-CG 4.19Å; A39-E42 PolarHBondContact N-OE2 2.04Å; A39-E42 PolarHBondContact O-N 3.15Å; A39-E42 VanDerWaalsContact O-N 3.09Å; A40-E42 VanDerWaalsContact C-N 3.35Å; E42-C55 HydrophobicContact CB-CB 4.05Å; E42-C55 HydrophobicContact CG-CB 4.37Å; E42-C55 VanDerWaalsContact OE2-CB 3.26Å; E42-C55 WeakPolarHBondContact OE2-CB 3.07Å; E42-V56 CarbonylContact C-O 3.52Å; E42-V56 VanDerWaalsContact CA-O 3.23Å; E42-V56 WeakPolarHBondContact CA-O 3.48Å
43	V	88.7	Confident	85.7	Confident	54 Å²	54	91 Å²	91	33%	0.327	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.8	173.7	-164.1	0	0	0	0	110.2	V56 Q58	V43-V56 PolarHBondContact N-O 3.07Å; V43-V56 PolarHBondContact O-N 2.99Å; V43-Q58 HydrophobicContact CG2-CB 4.32Å; V43-Q58 HydrophobicContact CG2-CG 3.22Å
44	I	89.4	Confident	85.7	Confident	105 Å²	105	84.9 Å²	84.9	54%	0.538	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	116.5	171.2	-59.3	166.3	0	0	0	108.6	C38 C54	C38-I44 HydrophobicContact CB-CG1 4.32Å; C38-I44 WeakPolarHBondContact SG-CG1 3.4Å; I44-C54 WeakPolarHBondContact CA-O 2.99Å
45	R	87	Confident	85.8	Confident	96 Å²	96	84.4 Å²	84.4	36%	0.362	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-29.9	177.3	-78.2	-69.8	-170.2	170.8	3.7	114.3	W28 C54 V56 E65	W28-R45 HydrophobicContact CD2-CB 4.21Å; W28-R45 HydrophobicContact CD2-CG 4.33Å; W28-R45 HydrophobicContact CE3-CB 3.88Å; W28-R45 HydrophobicContact CE3-CG 4.39Å; W28-R45 HydrophobicContact CZ2-CG 4.49Å; W28-R45 HydrophobicContact CZ3-CB 4.1Å; R45-C54 PolarHBondContact N-O 3.08Å; R45-V56 HydrophobicContact CB-CG2 4.21Å; R45-V56 HydrophobicContact CG-CG2 4.04Å; R45-E65 IonicContact CZ-OE1 3.81Å; R45-E65 IonicContact NH2-OE1 2.72Å; R45-E65 PolarHBondContact NH2-OE1 3Å
46	A	85.9	Confident	86	Confident	46 Å²	46	83 Å²	83	38%	0.38	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	170.1	-176.9	0	0	0	0	0	111.3	C54	A46-C54 HydrophobicContact CB-CB 4.04Å; A46-C54 VanDerWaalsContact O-CB 3.3Å; A46-C54 WeakPolarHBondContact O-CB 3.38Å; A46-C54 PolarHBondContact O-N 3.39Å
47	V	85.7	Confident	86	Confident	116 Å²	116	76.5 Å²	76.5	70%	0.703	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.4	171.8	-176.6	0	0	0	0	109.2	Q52	V47-Q52 CarbonylContact C-O 3.56Å; V47-Q52 WeakPolarHBondContact CA-O 3.3Å
48	C	85.9	Confident	85.8	Confident	21 Å²	21	71.6 Å²	71.6	14%	0.142	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	158.4	174.2	-59.1	0	0	0	0	111.3	C34 N50 R51 Q52	C34-C48 HydrophobicContact CB-CB 3.79Å; C34-C48 WeakPolarHBondContact CB-SG 3.48Å; C34-C48 WeakPolarHBondContact SG-CB 3.23Å; C34-C48 CovalentContact SG-SG 2.04Å; C34-C48 PolarHBondContact SG-SG 3.11Å; C48-N50 PolarHBondContact O-N 2.77Å; C48-R51 PolarHBondContact O-N 3.11Å; C48-Q52 HydrophobicContact CB-CB 4.18Å; C48-Q52 PolarHBondContact N-O 2.87Å
49	K	80.9	Confident	85.4	Confident	208 Å²	208	76.2 Å²	76.2	90%	0.904	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-23.8	-176.3	-72.1	-174	174.5	-174.4	0	116
50	N	77.3	Confident	84.6	Confident	124 Å²	124	76 Å²	76	66%	0.663	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	28.8	-179.8	-67.4	-6.9	0	0	0	113.7	C48 Q52	C48-N50 PolarHBondContact O-N 2.77Å; N50-Q52 HydrophobicContact CB-CG 4.25Å; N50-Q52 PolarHBondContact O-N 3.42Å; N50-Q52 VanDerWaalsContact O-N 3.09Å
51	R	79.7	Confident	83.9	Confident	241 Å²	241	71.6 Å²	71.6	91%	0.909	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	29.2	-171.8	-60.9	176.2	175.8	-116.8	0.2	112.7	C48	C48-R51 PolarHBondContact O-N 3.11Å
52	Q	85.1	Confident	83.2	Confident	43 Å²	43	73 Å²	73	20%	0.201	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	151.9	176.4	-74.6	-179.7	42.5	0	0	109.2	C34 K35 K36 V47 C48 N50	C34-Q52 HydrophobicContact CB-CB 4.41Å; C34-Q52 PolarHBondContact O-OE1 3.5Å; K35-Q52 CarbonylContact O-C 3.57Å; K35-Q52 WeakPolarHBondContact O-CB 3.49Å; K36-Q52 HydrophobicContact CG-CG 4.22Å; V47-Q52 CarbonylContact C-O 3.56Å; V47-Q52 WeakPolarHBondContact CA-O 3.3Å; C48-Q52 HydrophobicContact CB-CB 4.18Å; C48-Q52 PolarHBondContact N-O 2.87Å; N50-Q52 HydrophobicContact CB-CG 4.25Å; N50-Q52 PolarHBondContact O-N 3.42Å; N50-Q52 VanDerWaalsContact O-N 3.09Å
53	S	88.9	Confident	82.3	Confident	26 Å²	26	76 Å²	76	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	135.1	174.6	-36.8	0	0	0	0	109.7	C34 K35 C55	C34-S53 WeakPolarHBondContact CA-O 3.01Å; K35-S53 PolarHBondContact N-O 2.91Å; K35-S53 PolarHBondContact O-N 2.02Å; S53-C55 PolarHBondContact O-N 3.29Å
54	C	89.3	Confident	81.2	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.007	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	105.9	164.4	176.6	0	0	0	0	108.3	C27 I44 R45 A46	C27-C54 HydrophobicContact CB-CB 3.83Å; C27-C54 WeakPolarHBondContact CB-SG 3.26Å; C27-C54 WeakPolarHBondContact SG-CA 3.43Å; C27-C54 WeakPolarHBondContact SG-CB 3.19Å; C27-C54 CovalentContact SG-SG 2.02Å; C27-C54 PolarHBondContact SG-SG 2.95Å; I44-C54 WeakPolarHBondContact CA-O 2.99Å; R45-C54 PolarHBondContact N-O 3.08Å; A46-C54 HydrophobicContact CB-CB 4.04Å; A46-C54 VanDerWaalsContact O-CB 3.3Å; A46-C54 WeakPolarHBondContact O-CB 3.38Å; A46-C54 PolarHBondContact O-N 3.39Å
55	C	89.9	Confident	80.1	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.007	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.3	-179.4	-51.2	0	0	0	0	109.4	G32 R33 K35 C38 E42 S53	G32-C55 CarbonylContact C-O 3.57Å; G32-C55 WeakPolarHBondContact CA-O 3.24Å; R33-C55 PolarHBondContact N-O 3.1Å; R33-C55 PolarHBondContact O-N 2.84Å; K35-C55 HydrophobicContact CD-CB 4.34Å; C38-C55 WeakPolarHBondContact CA-SG 2.84Å; C38-C55 HydrophobicContact CB-CB 3.75Å; C38-C55 WeakPolarHBondContact CB-SG 3.37Å; C38-C55 VanDerWaalsContact SG-CA 3.54Å; C38-C55 WeakPolarHBondContact SG-CB 3.26Å; C38-C55 CovalentContact SG-SG 2.03Å; C38-C55 PolarHBondContact SG-SG 3.14Å; E42-C55 HydrophobicContact CB-CB 4.05Å; E42-C55 HydrophobicContact CG-CB 4.37Å; E42-C55 VanDerWaalsContact OE2-CB 3.26Å; E42-C55 WeakPolarHBondContact OE2-CB 3.07Å; S53-C55 PolarHBondContact O-N 3.29Å
56	V	89.6	Confident	78.8	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.6	178.2	-170.7	0	0	0	0	108	W28 E42 V43 R45 Q58 A60 V61	W28-V56 HydrophobicContact CB-CG2 3.7Å; W28-V56 HydrophobicContact CG-CG2 3.79Å; E42-V56 CarbonylContact C-O 3.52Å; E42-V56 VanDerWaalsContact CA-O 3.23Å; E42-V56 WeakPolarHBondContact CA-O 3.48Å; V43-V56 PolarHBondContact N-O 3.07Å; V43-V56 PolarHBondContact O-N 2.99Å; R45-V56 HydrophobicContact CB-CG2 4.21Å; R45-V56 HydrophobicContact CG-CG2 4.04Å; V56-Q58 PolarHBondContact O-N 2.92Å; V56-A60 HydrophobicContact CG1-CB 4.29Å; V56-V61 HydrophobicContact CB-CG2 4.08Å; V56-V61 HydrophobicContact CG1-CG2 3.73Å
57	S	86.1	Confident	77.6	Confident	42 Å²	42	80.9 Å²	80.9	29%	0.294	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.7	174.1	177.3	0	0	0	0	110.1	L59 A60 V61	S57-L59 PolarHBondContact O-N 2.88Å; S57-A60 PolarHBondContact O-N 3.45Å; S57-A60 VanDerWaalsContact O-N 3.08Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.14Å
58	Q	79.8	Confident	76.1	Confident	79 Å²	79	80.5 Å²	80.5	37%	0.369	41%	0.406	S	S	.	.	H	α-helix	trans	-53	-42.6	176	-77.7	174.9	40.3	0	0	111.6	A40 D41 V43 V56 A60 V61 F62	A40-Q58 PolarHBondContact O-NE2 3.31Å; D41-Q58 WeakPolarHBondContact O-CG 3.34Å; D41-Q58 PolarHBondContact O-N 2.85Å; D41-Q58 VanDerWaalsContact O-N 3.11Å; V43-Q58 HydrophobicContact CG2-CB 4.32Å; V43-Q58 HydrophobicContact CG2-CG 3.22Å; V56-Q58 PolarHBondContact O-N 2.92Å; Q58-A60 VanDerWaalsContact C-N 3.34Å; Q58-A60 PolarHBondContact O-N 3.08Å; Q58-V61 WeakPolarHBondContact O-CB 3.42Å; Q58-V61 PolarHBondContact O-N 3.25Å; Q58-V61 VanDerWaalsContact O-N 3.1Å; Q58-F62 HydrophobicContact CB-CE2 4.43Å; Q58-F62 WeakPolarHBondContact O-CD2 3.33Å; Q58-F62 PolarHBondContact O-N 3.43Å
59	L	77.4	Confident	74.5	Confident	131 Å²	131	84 Å²	84	69%	0.686	43%	0.432	S	S	*	.	H	α-helix	trans	-60.8	-41.1	177.9	-67.4	170.2	0	0	0	112.7	S57 V61 F62 V63	S57-L59 PolarHBondContact O-N 2.88Å; L59-V61 VanDerWaalsContact C-N 3.26Å; L59-V61 PolarHBondContact O-N 2.72Å; L59-F62 PolarHBondContact O-N 3.33Å; L59-V63 WeakPolarHBondContact O-CG2 3.13Å; L59-V63 PolarHBondContact O-N 3.29Å
60	A	70.6	Confident	73	Confident	38 Å²	38	77.3 Å²	77.3	31%	0.314	41%	0.411	S	S	.	.	H	α-helix	trans	-68.1	-28.7	177.7	0	0	0	0	0	112.5	V56 S57 Q58 K64	V56-A60 HydrophobicContact CG1-CB 4.29Å; S57-A60 PolarHBondContact O-N 3.45Å; S57-A60 VanDerWaalsContact O-N 3.08Å; Q58-A60 VanDerWaalsContact C-N 3.34Å; Q58-A60 PolarHBondContact O-N 3.08Å; A60-K64 WeakPolarHBondContact O-CB 3.36Å; A60-K64 PolarHBondContact O-N 2.98Å
61	V	70.4	Confident	71.4	Confident	12 Å²	12	76.2 Å²	76.2	7%	0.073	41%	0.411	C	S	.	.	H	α-helix	trans	-70.9	-49.8	172.8	168	0	0	0	0	110.6	V56 S57 Q58 L59 V63 K64 E65	V56-V61 HydrophobicContact CB-CG2 4.08Å; V56-V61 HydrophobicContact CG1-CG2 3.73Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.14Å; Q58-V61 WeakPolarHBondContact O-CB 3.42Å; Q58-V61 PolarHBondContact O-N 3.25Å; Q58-V61 VanDerWaalsContact O-N 3.1Å; L59-V61 VanDerWaalsContact C-N 3.26Å; L59-V61 PolarHBondContact O-N 2.72Å; V61-V63 PolarHBondContact O-N 3.49Å; V61-K64 PolarHBondContact O-N 3.35Å; V61-E65 PolarHBondContact O-N 3.21Å
62	F	70.9	Confident	69.8	Low	124 Å²	124	69.6 Å²	69.6	54%	0.544	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-48.9	179.4	-80.9	-69.8	0	0	0	111.7	Q58 L59 K64 E65 T66	Q58-F62 HydrophobicContact CB-CE2 4.43Å; Q58-F62 WeakPolarHBondContact O-CD2 3.33Å; Q58-F62 PolarHBondContact O-N 3.43Å; L59-F62 PolarHBondContact O-N 3.33Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 2.91Å; F62-E65 PolarHBondContact O-N 3.02Å; F62-E65 VanDerWaalsContact O-N 3.12Å; F62-T66 WeakPolarHBondContact O-CB 3.32Å; F62-T66 PolarHBondContact O-N 2.79Å; F62-T66 PolarHBondContact O-OG1 3.12Å
63	V	70.5	Confident	67.5	Low	88 Å²	88	73 Å²	73	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-58.1	-42.1	177.9	172.1	0	0	0	0	111.3	L59 V61 I67	L59-V63 WeakPolarHBondContact O-CG2 3.13Å; L59-V63 PolarHBondContact O-N 3.29Å; V61-V63 PolarHBondContact O-N 3.49Å; V63-I67 HydrophobicContact CG1-CD1 3.64Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 WeakPolarHBondContact O-CB 3.32Å; V63-I67 WeakPolarHBondContact O-CD1 3.37Å; V63-I67 WeakPolarHBondContact O-CG1 3.48Å; V63-I67 PolarHBondContact O-N 2.69Å
64	K	65.8	Low	65.7	Low	90 Å²	90	78.4 Å²	78.4	39%	0.391	45%	0.452	S	S	.	.	H	α-helix	trans	-66.9	-39.6	178.2	-168.8	-179.6	-178.9	-171.3	0	112.1	A60 V61 F62 T68	A60-K64 WeakPolarHBondContact O-CB 3.36Å; A60-K64 PolarHBondContact O-N 2.98Å; V61-K64 PolarHBondContact O-N 3.35Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 2.91Å; K64-T68 WeakPolarHBondContact O-CB 3.15Å; K64-T68 PolarHBondContact O-N 3.4Å; K64-T68 PolarHBondContact O-OG1 3.02Å
65	E	65.5	Low	63.1	Low	97 Å²	97	80.3 Å²	80.3	45%	0.453	47%	0.472	S	S	.	.	H	α-helix	trans	-69.8	-41.7	177.2	-75.2	-174.9	-176.5	0	0	111.5	R45 V61 F62 I67 T68 S69	R45-E65 IonicContact CZ-OE1 3.81Å; R45-E65 IonicContact NH2-OE1 2.72Å; R45-E65 PolarHBondContact NH2-OE1 3Å; V61-E65 PolarHBondContact O-N 3.21Å; F62-E65 PolarHBondContact O-N 3.02Å; F62-E65 VanDerWaalsContact O-N 3.12Å; E65-I67 VanDerWaalsContact C-N 3.31Å; E65-I67 PolarHBondContact O-N 2.72Å; E65-T68 CarbonylContact O-C 3.52Å; E65-T68 PolarHBondContact O-N 3.04Å; E65-S69 VanDerWaalsContact O-CB 3.32Å; E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 3.38Å; E65-S69 PolarHBondContact O-OG 2.94Å
66	T	59.7	Low	60.3	Low	93 Å²	93	91.9 Å²	91.9	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-61.8	-38	174.6	-52.5	0	0	0	0	112.1	F62 T68 S70	F62-T66 WeakPolarHBondContact O-CB 3.32Å; F62-T66 PolarHBondContact O-N 2.79Å; F62-T66 PolarHBondContact O-OG1 3.12Å; T66-T68 VanDerWaalsContact C-N 3.32Å; T66-S70 PolarHBondContact O-N 3.29Å
67	I	61.2	Low	57.9	Low	124 Å²	124	99.6 Å²	99.6	64%	0.636	55%	0.552	S	S	*	*	H	α-helix	trans	-71.7	-27.7	174.9	-64.9	166.2	0	0	0	111.6	V63 E65	V63-I67 HydrophobicContact CG1-CD1 3.64Å; V63-I67 HydrophobicContact CG1-CG1 4.47Å; V63-I67 WeakPolarHBondContact O-CB 3.32Å; V63-I67 WeakPolarHBondContact O-CD1 3.37Å; V63-I67 WeakPolarHBondContact O-CG1 3.48Å; V63-I67 PolarHBondContact O-N 2.69Å; E65-I67 VanDerWaalsContact C-N 3.31Å; E65-I67 PolarHBondContact O-N 2.72Å
68	T	53.8	Low	56	Low	107 Å²	107	107.6 Å²	107.6	66%	0.656	58%	0.584	S	S	*	*	H	α-helix	trans	-92	-24.8	-178.7	-51.7	0	0	0	0	113.1	K64 E65 T66	K64-T68 WeakPolarHBondContact O-CB 3.15Å; K64-T68 PolarHBondContact O-N 3.4Å; K64-T68 PolarHBondContact O-OG1 3.02Å; E65-T68 CarbonylContact O-C 3.52Å; E65-T68 PolarHBondContact O-N 3.04Å; T66-T68 VanDerWaalsContact C-N 3.32Å
69	S	51.8	Low	54.2	Low	96 Å²	96	111.6 Å²	111.6	67%	0.671	60%	0.603	S	S	*	*	H	α-helix	trans	-87.8	-8.9	175.3	68.3	0	0	0	0	112.8	E65	E65-S69 VanDerWaalsContact O-CB 3.32Å; E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 3.38Å; E65-S69 PolarHBondContact O-OG 2.94Å
70	S	48.7	Very low	52.7	Low	66 Å²	66	109.6 Å²	109.6	46%	0.462	61%	0.605	S	S	.	*	S	Bend	trans	-74	130	159.8	-169.9	0	0	0	0	107.9	T66 S72	T66-S70 PolarHBondContact O-N 3.29Å; S70-S72 PolarHBondContact O-N 2.83Å
71	P	44	Very low	51.7	Low	102 Å²	102	115.8 Å²	115.8	66%	0.662	63%	0.63	S	S	*	*			trans	-52.8	135.7	165.1	-11.6	23.4	0	0	0	107.8	T73	P71-T73 VanDerWaalsContact C-N 3.29Å; P71-T73 PolarHBondContact O-N 3.31Å
72	S	45.9	Very low	50.6	Low	102 Å²	102	121.1 Å²	121.1	71%	0.713	66%	0.657	S	S	*	*			trans	-57.3	94.4	167	-172.1	0	0	0	0	108.6	S70 N74	S70-S72 PolarHBondContact O-N 2.83Å; S72-N74 VanDerWaalsContact C-N 3.34Å; S72-N74 PolarHBondContact O-N 3.45Å; S72-N74 PolarHBondContact O-OD1 3.47Å; S72-N74 PolarHBondContact OG-OD1 2.65Å
73	T	38.4	Very low	49.4	Very low	115 Å²	115	125.8 Å²	125.8	71%	0.706	67%	0.672	S	S	*	*			trans	-92.4	80.3	158.4	47.3	0	0	0	0	107.1	P71 G75	P71-T73 VanDerWaalsContact C-N 3.29Å; P71-T73 PolarHBondContact O-N 3.31Å; T73-G75 VanDerWaalsContact C-N 3.3Å; T73-G75 PolarHBondContact O-N 3.42Å
74	N	49.6	Very low	48.4	Very low	139 Å²	139	128 Å²	128	74%	0.743	68%	0.679	S	S	*	*			trans	-66.4	97.3	156.9	30	-71.2	0	0	0	107.7	S72	S72-N74 VanDerWaalsContact C-N 3.34Å; S72-N74 PolarHBondContact O-N 3.45Å; S72-N74 PolarHBondContact O-OD1 3.47Å; S72-N74 PolarHBondContact OG-OD1 2.65Å
75	G	35.4	Very low	47.6	Very low	41 Å²	41	128.1 Å²	128.1	42%	0.423	69%	0.687	S	S	.	*	S	Bend	trans	123.2	122.7	167.1	0	0	0	0	0	114	T73	T73-G75 VanDerWaalsContact C-N 3.3Å; T73-G75 PolarHBondContact O-N 3.42Å
76	W	31.5	Very low	46.7	Very low	243 Å²	243	127.4 Å²	127.4	92%	0.92	69%	0.693	S	S	*	*			trans	65.1	119.4	161.4	-34.6	76.9	0	0	0	112.7
77	E	38.3	Very low	46.2	Very low	163 Å²	163	128 Å²	128	76%	0.762	70%	0.696	S	S	*	*				-163.5	141.7	59.7	-88	148.3	92.6	0	0	110.8	E79	E77-E79 HydrophobicContact CB-CB 4.18Å; E77-E79 PolarHBondContact O-N 3.39Å; E77-E79 VanDerWaalsContact O-N 3.08Å
78	E	47.4	Very low	45.6	Very low	210 Å²	210	125.5 Å²	125.5	98%	0.981	69%	0.694	S	S	*	*			trans	-71.7	24.9	167.7	-78.3	175	96.6	0	0	113.2
79	E	41.1	Very low	45.5	Very low	163 Å²	163	124.2 Å²	124.2	76%	0.762	69%	0.689	S	S	*	*			trans	-121.8	53.8	-159.6	-135.7	164.6	136.6	0	0	114.4	E77	E77-E79 HydrophobicContact CB-CB 4.18Å; E77-E79 PolarHBondContact O-N 3.39Å; E77-E79 VanDerWaalsContact O-N 3.08Å
80	A	46.4	Very low	45.4	Very low	88 Å²	88	125 Å²	125	73%	0.727	69%	0.69	S	S	*	*	S	Bend	trans	-135.2	24	169.2	0	0	0	0	0	113.8
81	M	49.9	Very low	45.5	Very low	169 Å²	169	126.9 Å²	126.9	83%	0.833	70%	0.703	S	S	*	*	S	Bend	trans	-113.6	20.4	175.9	-150.7	159.2	-103.3	0	0	113.3
82	D	46.2	Very low	45.9	Very low	123 Å²	123	127.1 Å²	127.1	66%	0.658	70%	0.703	S	S	*	*	S	Bend	trans	-115.2	-15.5	177.7	-134.6	-22.9	0	0	0	114.2
83	R	45.8	Very low	46.1	Very low	223 Å²	223	132 Å²	132	84%	0.842	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-13.9	179.2	-72.2	-169.8	-173.7	-167.3	4.2	115.1
84	I	50.6	Low	46.7	Very low	133 Å²	133	134.7 Å²	134.7	68%	0.682	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-28.5	-179.9	-53	177.8	0	0	0	111	S86	I84-S86 VanDerWaalsContact C-N 3.33Å; I84-S86 PolarHBondContact O-N 3.46Å
85	V	49	Very low	46.4	Very low	94 Å²	94	141 Å²	141	57%	0.57	74%	0.741	S	S	*	*	H	α-helix	trans	-66.8	-32.3	178.5	167.7	0	0	0	0	112.2	V87	V85-V87 PolarHBondContact O-N 3.04Å
86	S	45.9	Very low	47	Very low	82 Å²	82	146 Å²	146	57%	0.573	76%	0.757	S	S	*	*	H	α-helix	trans	-75.4	-22	-176.7	-55.6	0	0	0	0	114.7	I84	I84-S86 VanDerWaalsContact C-N 3.33Å; I84-S86 PolarHBondContact O-N 3.46Å
87	V	49.8	Very low	47.8	Very low	106 Å²	106	140.8 Å²	140.8	64%	0.642	75%	0.748	S	S	*	*	H	α-helix	trans	-83.9	-26.7	178	-179.1	0	0	0	0	111.6	V85 S89	V85-V87 PolarHBondContact O-N 3.04Å; V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 3.08Å
88	A	47.4	Very low	48.3	Very low	70 Å²	70	139.6 Å²	139.6	58%	0.579	75%	0.748	S	S	*	*	H	α-helix	trans	-72.3	-24.1	179.8	0	0	0	0	0	113.3
89	S	52.8	Low	48.4	Very low	80 Å²	80	135.5 Å²	135.5	56%	0.559	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-14.4	-174.8	-59.5	0	0	0	0	114.8	V87	V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 3.08Å
90	T	49.8	Very low	48.8	Very low	113 Å²	113	133.8 Å²	133.8	69%	0.693	73%	0.732	S	S	*	*	S	Bend	trans	-101	-5.7	-179	44	0	0	0	0	114.3
91	S	51.5	Low	49	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	73%	0.733	S	S	*	*	S	Bend	trans	-92.4	6.5	179.9	-166.9	0	0	0	0	114.7
92	T	52.4	Low	48.9	Very low	106 Å²	106	134.5 Å²	134.5	65%	0.65	73%	0.725	S	S	*	*	S	Bend	trans	-117.2	8	-178.6	49.7	0	0	0	0	115.2
93	Y	49.7	Very low	49.1	Very low	204 Å²	204	135.4 Å²	135.4	80%	0.8	73%	0.731	S	S	*	*	S	Bend	trans	-128.1	38.6	178.5	-74.8	-79.3	0	0	0	114
94	L	50.3	Low	49.4	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	72%	0.721	S	S	*	*			trans	-142.1	71.1	161.5	-84.9	172.2	0	0	0	109.3
95	E	43.7	Very low	49.3	Very low	271 Å²	271	127.6 Å²	127.6	100%	1.266	73%	0.725	S	S	*	*			trans	-129.6	0	143.3	-81.8	-168.1	101.1	0	0	108.1

Retrieved 95 of 95 residues in 34.3 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).