A0A096NV20_PAPAN Loading...

Defensin beta 127

AlphaFold DB (A0A2K5Y3W2), UniProt , Accession A0A096NV20, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB127, Length 93 aa.

						>A0A096NV20_PAPAN|A0A096NV20|DEFB127
VGLFMIIVILLFQKPTVTEQLKTCWDNYVQGHCRKICRVNALCENGRYCCLNIKELEACKKITNSPHPKPATLALTLPQDYVTITEKFPILKT
					

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	V	62.6	Low	74.8	Confident	170 Å²	170	108.1 Å²	108.1	100%	1.03	59%	0.588	S	S	*	*				0	-32.6	0	-175.2	0	0	0	0	113.4
2	G	74	Confident	73.8	Confident	50 Å²	50	112.2 Å²	112.2	52%	0.515	60%	0.596	S	S	.	*	H	α-helix	trans	-68.9	-39.9	-176.4	0	0	0	0	0	116.5	F4 M5 I6	G2-F4 VanDerWaalsContact C-N 3.35Å; G2-F4 PolarHBondContact O-N 2.96Å; G2-M5 PolarHBondContact O-N 3.41Å; G2-I6 WeakPolarHBondContact O-CG1 3.47Å; G2-I6 PolarHBondContact O-N 3.11Å
3	L	77.3	Confident	72.7	Confident	140 Å²	140	113.8 Å²	113.8	73%	0.733	60%	0.598	S	S	*	*	H	α-helix	trans	-63.5	-38.8	-177.2	-82.3	159.4	0	0	0	113.1	M5 I6 I7	L3-M5 VanDerWaalsContact C-N 3.33Å; L3-M5 PolarHBondContact O-N 3.49Å; L3-I6 PolarHBondContact O-N 3.08Å; L3-I7 WeakPolarHBondContact O-CG1 3.39Å; L3-I7 PolarHBondContact O-N 3.13Å; L3-I7 VanDerWaalsContact O-N 3.14Å
4	F	77.3	Confident	71.6	Confident	155 Å²	155	118.8 Å²	118.8	68%	0.68	61%	0.612	S	S	*	*	H	α-helix	trans	-64.2	-40.4	179.9	-165.5	-96.7	0	0	0	111.5	G2 I6 I7 V8	G2-F4 VanDerWaalsContact C-N 3.35Å; G2-F4 PolarHBondContact O-N 2.96Å; F4-I6 VanDerWaalsContact C-N 3.34Å; F4-I6 PolarHBondContact O-N 3.08Å; F4-I7 PolarHBondContact O-N 3.24Å; F4-V8 HydrophobicContact CD1-CG2 4.1Å; F4-V8 HydrophobicContact CE1-CG2 3.93Å; F4-V8 WeakPolarHBondContact O-CG2 3.14Å; F4-V8 PolarHBondContact O-N 2.98Å
5	M	77.3	Confident	70.1	Confident	112 Å²	112	115.8 Å²	115.8	55%	0.552	60%	0.604	S	S	*	*	H	α-helix	trans	-64.5	-38.7	177.9	-61.7	-60.9	-75.5	0	0	111.9	G2 L3 V8 I9	G2-M5 PolarHBondContact O-N 3.41Å; L3-M5 VanDerWaalsContact C-N 3.33Å; L3-M5 PolarHBondContact O-N 3.49Å; M5-V8 PolarHBondContact O-N 3.26Å; M5-I9 WeakPolarHBondContact O-CD1 3.36Å; M5-I9 WeakPolarHBondContact O-CG1 3.4Å; M5-I9 PolarHBondContact O-N 3.12Å
6	I	79.1	Confident	68.5	Low	97 Å²	97	114.6 Å²	114.6	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-42.4	177.8	-63.5	167.4	0	0	0	110.8	G2 L3 F4 I9 L10	G2-I6 WeakPolarHBondContact O-CG1 3.47Å; G2-I6 PolarHBondContact O-N 3.11Å; L3-I6 PolarHBondContact O-N 3.08Å; F4-I6 VanDerWaalsContact C-N 3.34Å; F4-I6 PolarHBondContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 2.77Å; I6-L10 HydrophobicContact CG2-CD1 3.87Å; I6-L10 HydrophobicContact CG2-CG 4.46Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 WeakPolarHBondContact O-CG 3.08Å; I6-L10 PolarHBondContact O-N 2.84Å
7	I	80	Confident	66.8	Low	91 Å²	91	116.4 Å²	116.4	47%	0.467	62%	0.619	S	S	.	*	H	α-helix	trans	-63.2	-43.9	177.4	-65.1	165.3	0	0	0	110.5	L3 F4 I9 L10 L11	L3-I7 WeakPolarHBondContact O-CG1 3.39Å; L3-I7 PolarHBondContact O-N 3.13Å; L3-I7 VanDerWaalsContact O-N 3.14Å; F4-I7 PolarHBondContact O-N 3.24Å; I7-I9 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 2.79Å; I7-L11 HydrophobicContact CG2-CD1 3.91Å; I7-L11 HydrophobicContact CG2-CG 4.42Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.46Å; I7-L11 PolarHBondContact O-N 3.47Å
8	V	79.1	Confident	65.5	Low	51 Å²	51	115.8 Å²	115.8	31%	0.309	62%	0.621	S	S	.	*	H	α-helix	trans	-60.2	-46.7	176.5	172.6	0	0	0	0	110.9	F4 M5 L10 L11 F12	F4-V8 HydrophobicContact CD1-CG2 4.1Å; F4-V8 HydrophobicContact CE1-CG2 3.93Å; F4-V8 WeakPolarHBondContact O-CG2 3.14Å; F4-V8 PolarHBondContact O-N 2.98Å; M5-V8 PolarHBondContact O-N 3.26Å; V8-L10 PolarHBondContact O-N 2.75Å; V8-L11 PolarHBondContact O-N 3.09Å; V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 4Å; V8-F12 WeakPolarHBondContact O-CD2 3.24Å; V8-F12 PolarHBondContact O-N 3.39Å
9	I	77.2	Confident	64.3	Low	95 Å²	95	117.8 Å²	117.8	49%	0.487	63%	0.626	S	S	.	*	H	α-helix	trans	-62.9	-41.4	178.9	-64.5	160.3	0	0	0	111.6	M5 I6 I7 L11 F12 Q13	M5-I9 WeakPolarHBondContact O-CD1 3.36Å; M5-I9 WeakPolarHBondContact O-CG1 3.4Å; M5-I9 PolarHBondContact O-N 3.12Å; I6-I9 PolarHBondContact O-N 2.77Å; I7-I9 PolarHBondContact O-N 2.96Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 2.78Å; I9-F12 PolarHBondContact O-N 2.98Å; I9-Q13 WeakPolarHBondContact O-CB 3.39Å; I9-Q13 PolarHBondContact O-N 3.26Å
10	L	71.4	Confident	63.1	Low	101 Å²	101	120.7 Å²	120.7	53%	0.529	64%	0.636	S	S	.	*	H	α-helix	trans	-65.2	-35.1	177.5	-75.5	166.7	0	0	0	112.8	I6 I7 V8	I6-L10 HydrophobicContact CG2-CD1 3.87Å; I6-L10 HydrophobicContact CG2-CG 4.46Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 WeakPolarHBondContact O-CG 3.08Å; I6-L10 PolarHBondContact O-N 2.84Å; I7-L10 PolarHBondContact O-N 2.79Å; V8-L10 PolarHBondContact O-N 2.75Å
11	L	67.9	Low	62.3	Low	127 Å²	127	118.6 Å²	118.6	67%	0.665	63%	0.625	S	S	*	*	H	α-helix	trans	-70.7	-38.9	175	-70.3	169.3	0	0	0	111.6	I7 V8 I9	I7-L11 HydrophobicContact CG2-CD1 3.91Å; I7-L11 HydrophobicContact CG2-CG 4.42Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.46Å; I7-L11 PolarHBondContact O-N 3.47Å; V8-L11 PolarHBondContact O-N 3.09Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 2.78Å
12	F	62.5	Low	61.6	Low	157 Å²	157	115.6 Å²	115.6	69%	0.689	60%	0.598	S	S	*	*	H	α-helix	trans	-76.9	-25.3	178.3	-88.5	-86.9	0	0	0	113.9	V8 I9 K14	V8-F12 HydrophobicContact CG1-CD2 3.82Å; V8-F12 HydrophobicContact CG1-CE2 4Å; V8-F12 WeakPolarHBondContact O-CD2 3.24Å; V8-F12 PolarHBondContact O-N 3.39Å; I9-F12 PolarHBondContact O-N 2.98Å; F12-K14 PolarHBondContact O-N 2.87Å
13	Q	60	Low	60.6	Low	134 Å²	134	116.9 Å²	116.9	63%	0.626	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-14.9	176.1	-94.7	178.4	-3.3	0	0	114.2	I9	I9-Q13 WeakPolarHBondContact O-CB 3.39Å; I9-Q13 PolarHBondContact O-N 3.26Å
14	K	56.2	Low	59.5	Low	183 Å²	183	111 Å²	111	80%	0.796	57%	0.566	S	S	*	*	S	Bend	trans	-112.1	69.5	177	-65.7	-167.3	-176.5	-174.7	0	110.3	F12	F12-K14 PolarHBondContact O-N 2.87Å
15	P	49.1	Very low	58.4	Low	74 Å²	74	109.7 Å²	109.7	48%	0.481	56%	0.557	S	S	.	*	S	Bend		-154.4	20.8	106.1	36.5	-16	0	0	0	115.2	V17 T18	P15-V17 VanDerWaalsContact C-N 3.3Å; P15-V17 PolarHBondContact O-N 2.89Å; P15-T18 PolarHBondContact O-N 3.26Å; P15-T18 PolarHBondContact O-OG1 2.84Å
16	T	44.6	Very low	57.1	Low	96 Å²	96	111 Å²	111	59%	0.589	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-13.3	-168.7	-35.1	0	0	0	0	114.4	T18	T16-T18 VanDerWaalsContact C-N 3.3Å
17	V	39.8	Very low	55.5	Low	146 Å²	146	113.5 Å²	113.5	89%	0.885	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-4.6	176.2	-170.6	0	0	0	0	112.5	P15	P15-V17 VanDerWaalsContact C-N 3.3Å; P15-V17 PolarHBondContact O-N 2.89Å
18	T	42.8	Very low	53.8	Low	106 Å²	106	118.5 Å²	118.5	65%	0.65	60%	0.595	S	S	*	*	S	Bend	trans	-103.2	-4.2	176.8	27.8	0	0	0	0	114.3	P15 T16	P15-T18 PolarHBondContact O-N 3.26Å; P15-T18 PolarHBondContact O-OG1 2.84Å; T16-T18 VanDerWaalsContact C-N 3.3Å
19	E	43.1	Very low	52.4	Low	154 Å²	154	116.9 Å²	116.9	72%	0.72	59%	0.585	S	S	*	*			trans	-101.6	4.2	-167	-128.2	-174.6	166.6	0	0	115.3	L21	E19-L21 PolarHBondContact O-N 3.36Å
20	Q	41.4	Very low	51.3	Low	175 Å²	175	118.6 Å²	118.6	82%	0.818	59%	0.591	S	S	*	*			trans	-89.2	59.9	155.4	-77.3	-104.8	53.3	0	0	108	K22	Q20-K22 PolarHBondContact O-N 3.03Å
21	L	46.5	Very low	50.8	Low	77 Å²	77	113.8 Å²	113.8	40%	0.403	57%	0.566	S	S	.	*			trans	-72.6	78.7	173.8	-161.6	61.7	0	0	0	106.4	E19 T23 H32	E19-L21 PolarHBondContact O-N 3.36Å; L21-T23 PolarHBondContact O-N 2.99Å; L21-H32 HydrophobicContact CD1-CB 4.03Å; L21-H32 HydrophobicContact CD2-CB 4.09Å; L21-H32 WeakPolarHBondContact CD2-CE1 3.49Å; L21-H32 WeakPolarHBondContact CD2-ND1 3.15Å; L21-H32 HydrophobicContact CG-CB 4.14Å; L21-H32 WeakPolarHBondContact CG-ND1 3.03Å
22	K	47	Very low	50.4	Low	106 Å²	106	111 Å²	111	46%	0.461	55%	0.549	S	S	.	.			trans	-49.4	107.5	171.9	-72.6	-170.6	174	-168.4	0	106.4	Q20 C24 C33 E44	Q20-K22 PolarHBondContact O-N 3.03Å; K22-C24 PolarHBondContact O-N 1.98Å; K22-C33 PolarHBondContact O-SG 2.01Å; K22-E44 IonicContact NZ-OE2 3.59Å
23	T	53.4	Low	50.4	Low	77 Å²	77	104.4 Å²	104.4	47%	0.472	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	118.7	173.3	33.6	0	0	0	0	106.5	L21 Q30	L21-T23 PolarHBondContact O-N 2.99Å; T23-Q30 HydrophobicContact CG2-CG 3.72Å
24	C	53.9	Low	50.4	Low	16 Å²	16	105.6 Å²	105.6	11%	0.108	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	153.3	169.4	49.4	0	0	0	0	108.4	K22 V29 G31 C49	K22-C24 PolarHBondContact O-N 1.98Å; C24-V29 VanDerWaalsContact O-O 3.11Å; C24-G31 PolarHBondContact N-O 3.4Å; C24-G31 VanDerWaalsContact N-O 3.16Å; C24-G31 PolarHBondContact O-N 2.06Å; C24-G31 WeakPolarHBondContact SG-CA 2.87Å; C24-G31 PolarHBondContact SG-O 3.24Å; C24-G31 VanDerWaalsContact SG-O 3.33Å; C24-C49 HydrophobicContact CB-CB 3.65Å; C24-C49 WeakPolarHBondContact CB-SG 3.31Å; C24-C49 VanDerWaalsContact SG-CA 3.59Å; C24-C49 WeakPolarHBondContact SG-CB 3.46Å; C24-C49 CovalentContact SG-SG 2.01Å; C24-C49 PolarHBondContact SG-SG 3.5Å
25	W	54.4	Low	50.3	Low	128 Å²	128	105.3 Å²	105.3	49%	0.485	52%	0.52	S	S	.	.	S	Bend	trans	66.1	70.6	-174.1	-93.3	47.5	0	0	0	113.2	N27 V29	W25-N27 PolarHBondContact O-N 2.84Å; W25-V29 VanDerWaalsContact CB-O 3.31Å; W25-V29 WeakPolarHBondContact CB-O 3.11Å; W25-V29 HydrophobicContact CE3-CB 3.93Å; W25-V29 HydrophobicContact CE3-CG2 3.76Å; W25-V29 HydrophobicContact CZ3-CG2 3.94Å
26	D	49.8	Very low	50.4	Low	141 Å²	141	108.9 Å²	108.9	75%	0.754	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	97.3	176.3	-146.9	-9.2	0	0	0	111.6
27	N	44.8	Very low	51	Low	149 Å²	149	106.4 Å²	106.4	80%	0.797	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.6	-5.8	170.4	-51.8	-77.5	0	0	0	120.1	W25	W25-N27 PolarHBondContact O-N 2.84Å
28	Y	45	Very low	51.5	Low	196 Å²	196	110.5 Å²	110.5	77%	0.769	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-33.4	-178.7	-112.2	-93.2	0	0	0	115.5
29	V	50.2	Low	51.8	Low	17 Å²	17	107.4 Å²	107.4	10%	0.103	50%	0.5	C	S	.	.			trans	-149.9	124	178.6	-175.6	0	0	0	0	108.2	C24 W25 G31 L51 E55	C24-V29 VanDerWaalsContact O-O 3.11Å; W25-V29 VanDerWaalsContact CB-O 3.31Å; W25-V29 WeakPolarHBondContact CB-O 3.11Å; W25-V29 HydrophobicContact CE3-CB 3.93Å; W25-V29 HydrophobicContact CE3-CG2 3.76Å; W25-V29 HydrophobicContact CZ3-CG2 3.94Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.38Å; V29-L51 HydrophobicContact CB-CD2 4.08Å; V29-L51 HydrophobicContact CG1-CD2 3.58Å; V29-E55 HydrophobicContact CG1-CB 3.63Å; V29-E55 HydrophobicContact CG1-CG 4.19Å; V29-E55 WeakPolarHBondContact CG1-OE2 3.32Å
30	Q	54	Low	52.2	Low	131 Å²	131	106.1 Å²	106.1	61%	0.612	50%	0.498	S	S	*	.			trans	-80.2	81	-175.7	-160.3	174.3	6.9	0	0	110.1	T23	T23-Q30 HydrophobicContact CG2-CG 3.72Å
31	G	59.5	Low	53	Low	0 Å²	0	99.5 Å²	99.5	0%	0	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	153	177.2	0	0	0	0	0	112.7	C24 V29 C50	C24-G31 PolarHBondContact N-O 3.4Å; C24-G31 VanDerWaalsContact N-O 3.16Å; C24-G31 PolarHBondContact O-N 2.06Å; C24-G31 WeakPolarHBondContact SG-CA 2.87Å; C24-G31 PolarHBondContact SG-O 3.24Å; C24-G31 VanDerWaalsContact SG-O 3.33Å; V29-G31 VanDerWaalsContact C-N 3.31Å; V29-G31 PolarHBondContact O-N 3.38Å; G31-C50 WeakPolarHBondContact CA-O 3.39Å
32	H	61.6	Low	53.4	Low	67 Å²	67	102.5 Å²	102.5	31%	0.31	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.5	177.9	-66.2	-40.5	0	0	0	111.3	L21 R34 C50	L21-H32 HydrophobicContact CD1-CB 4.03Å; L21-H32 HydrophobicContact CD2-CB 4.09Å; L21-H32 WeakPolarHBondContact CD2-CE1 3.49Å; L21-H32 WeakPolarHBondContact CD2-ND1 3.15Å; L21-H32 HydrophobicContact CG-CB 4.14Å; L21-H32 WeakPolarHBondContact CG-ND1 3.03Å; H32-R34 PolarHBondContact O-N 3.03Å; H32-C50 PolarHBondContact N-O 2.82Å; H32-C50 WeakPolarHBondContact O-CA 3.31Å; H32-C50 WeakPolarHBondContact O-CB 3.47Å; H32-C50 PolarHBondContact O-N 3.33Å; H32-C50 PolarHBondContact O-SG 3.19Å; H32-C50 VanDerWaalsContact O-SG 3.4Å
33	C	61	Low	54	Low	19 Å²	19	98.4 Å²	98.4	13%	0.128	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	116	176.5	-59.1	0	0	0	0	111.3	K22 C43 R47 Y48	K22-C33 PolarHBondContact O-SG 2.01Å; C33-C43 HydrophobicContact CB-CB 4.11Å; C33-C43 WeakPolarHBondContact CB-SG 3.46Å; C33-C43 WeakPolarHBondContact SG-CB 3.01Å; C33-C43 CovalentContact SG-SG 2.06Å; C33-C43 PolarHBondContact SG-SG 2.86Å; C33-R47 HydrophobicContact CB-CB 4.29Å; C33-Y48 CarbonylContact C-O 3.54Å; C33-Y48 WeakPolarHBondContact CA-O 3.37Å
34	R	60.3	Low	54.2	Low	159 Å²	159	103.2 Å²	103.2	60%	0.6	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	169.1	171.2	-51.7	-177.9	171.4	-155.8	-2.8	111.5	H32 Y48 C50	H32-R34 PolarHBondContact O-N 3.03Å; R34-Y48 PolarHBondContact N-O 3.49Å; R34-Y48 PolarHBondContact O-N 2.77Å; R34-Y48 VanDerWaalsContact O-O 3.04Å; R34-C50 WeakPolarHBondContact CB-SG 3.46Å; R34-C50 HydrophobicContact CG-CB 4.38Å; R34-C50 WeakPolarHBondContact CG-SG 3.14Å
35	K	54	Low	54.3	Low	178 Å²	178	107.6 Å²	107.6	77%	0.774	51%	0.513	S	S	*	.	S	Bend	trans	-71.2	-28.1	179	-75.5	-174.6	177.4	-179	0	113.8	Y48	K35-Y48 WeakPolarHBondContact O-CD2 3.42Å
36	I	51.7	Low	54.5	Low	148 Å²	148	104.2 Å²	104.2	76%	0.759	52%	0.518	S	S	*	.	S	Bend	trans	-139.3	124.2	-175.9	-57.4	173.5	0	0	0	107.3
37	C	56.9	Low	55	Low	44 Å²	44	103.3 Å²	103.3	30%	0.297	50%	0.504	S	S	.	.			trans	-148.6	155.5	173.1	-96.9	0	0	0	0	113.9	C50	C37-C50 HydrophobicContact CB-CB 3.98Å; C37-C50 WeakPolarHBondContact CB-SG 3.45Å; C37-C50 WeakPolarHBondContact SG-CB 3.07Å; C37-C50 CovalentContact SG-SG 1.98Å; C37-C50 PolarHBondContact SG-SG 3.29Å
38	R	49.6	Very low	55.9	Low	233 Å²	233	101.1 Å²	101.1	88%	0.879	49%	0.485	S	S	*	.	S	Bend	trans	-79.3	-20.1	-177.1	-160.4	176.8	-172.6	178.7	2.6	113
39	V	49.1	Very low	56.9	Low	40 Å²	40	91.9 Å²	91.9	24%	0.242	45%	0.449	C	S	.	.	S	Bend	trans	-120.9	132.9	177	-171.9	0	0	0	0	107.5	L51 L56	V39-L51 HydrophobicContact CG1-CD1 4.27Å; V39-L56 HydrophobicContact CG1-CD1 4.18Å; V39-L56 HydrophobicContact CG2-CD1 4.38Å; V39-L56 HydrophobicContact CG2-CD2 3.63Å
40	N	52	Low	57.5	Low	127 Å²	127	91.8 Å²	91.8	68%	0.679	45%	0.449	S	S	*	.			trans	-125	76	-154.1	22.1	-30.7	0	0	0	109.6	Y48	N40-Y48 HydrophobicContact CB-CD1 4.04Å; N40-Y48 HydrophobicContact CB-CE1 4.31Å
41	A	57.7	Low	57.9	Low	36 Å²	36	87.1 Å²	87.1	30%	0.298	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.5	155.8	0	0	0	0	0	108.9	C49	A41-C49 HydrophobicContact CB-CB 3.97Å; A41-C49 WeakPolarHBondContact O-CB 2.99Å; A41-C49 PolarHBondContact O-N 3.32Å
42	L	55.1	Low	57.7	Low	140 Å²	140	91.8 Å²	91.8	73%	0.733	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.7	-178	-86.1	157.1	0	0	0	110.4
43	C	59.4	Low	57.4	Low	20 Å²	20	93.4 Å²	93.4	14%	0.135	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-80.4	152	164.3	-57.8	0	0	0	0	109.3	C33 N45 G46 R47	C33-C43 HydrophobicContact CB-CB 4.11Å; C33-C43 WeakPolarHBondContact CB-SG 3.46Å; C33-C43 WeakPolarHBondContact SG-CB 3.01Å; C33-C43 CovalentContact SG-SG 2.06Å; C33-C43 PolarHBondContact SG-SG 2.86Å; C43-N45 PolarHBondContact O-N 3.33Å; C43-G46 PolarHBondContact O-N 2.98Å; C43-R47 HydrophobicContact CB-CB 4.38Å; C43-R47 WeakPolarHBondContact CB-O 3.38Å; C43-R47 PolarHBondContact N-O 3.22Å
44	E	58.8	Low	57	Low	178 Å²	178	100.7 Å²	100.7	83%	0.832	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-26.1	-179.5	-76.3	179	137.2	0	0	114.9	K22	K22-E44 IonicContact NZ-OE2 3.59Å
45	N	56.1	Low	56.7	Low	108 Å²	108	96.3 Å²	96.3	58%	0.578	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	17.4	-178.1	-68.9	-24.4	0	0	0	114.4	C43 R47	C43-N45 PolarHBondContact O-N 3.33Å; N45-R47 PolarHBondContact O-N 3.3Å
46	G	57.3	Low	56.6	Low	58 Å²	58	90.7 Å²	90.7	60%	0.598	46%	0.457	S	S	*	.	S	Bend	trans	68.2	17.8	-176.3	0	0	0	0	0	114.2	C43	C43-G46 PolarHBondContact O-N 2.98Å
47	R	61.2	Low	56.7	Low	122 Å²	122	90 Å²	90	46%	0.46	45%	0.451	S	S	.	.			trans	-95.7	157	174.2	-63.1	-176.9	-172.8	178.6	2.7	109.9	C33 C43 N45	C33-R47 HydrophobicContact CB-CB 4.29Å; C43-R47 HydrophobicContact CB-CB 4.38Å; C43-R47 WeakPolarHBondContact CB-O 3.38Å; C43-R47 PolarHBondContact N-O 3.22Å; N45-R47 PolarHBondContact O-N 3.3Å
48	Y	64.4	Low	56.5	Low	103 Å²	103	90.4 Å²	90.4	40%	0.404	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131	176.4	-62	-75.6	0	0	0	110.7	C33 R34 K35 N40 C50	C33-Y48 CarbonylContact C-O 3.54Å; C33-Y48 WeakPolarHBondContact CA-O 3.37Å; R34-Y48 PolarHBondContact N-O 3.49Å; R34-Y48 PolarHBondContact O-N 2.77Å; R34-Y48 VanDerWaalsContact O-O 3.04Å; K35-Y48 WeakPolarHBondContact O-CD2 3.42Å; N40-Y48 HydrophobicContact CB-CD1 4.04Å; N40-Y48 HydrophobicContact CB-CE1 4.31Å; Y48-C50 PolarHBondContact O-N 3.16Å
49	C	64.6	Low	56.5	Low	2 Å²	2	80.8 Å²	80.8	1%	0.014	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	112.1	171.5	173.6	0	0	0	0	109.7	C24 A41	C24-C49 HydrophobicContact CB-CB 3.65Å; C24-C49 WeakPolarHBondContact CB-SG 3.31Å; C24-C49 VanDerWaalsContact SG-CA 3.59Å; C24-C49 WeakPolarHBondContact SG-CB 3.46Å; C24-C49 CovalentContact SG-SG 2.01Å; C24-C49 PolarHBondContact SG-SG 3.5Å; A41-C49 HydrophobicContact CB-CB 3.97Å; A41-C49 WeakPolarHBondContact O-CB 2.99Å; A41-C49 PolarHBondContact O-N 3.32Å
50	C	63.4	Low	56.6	Low	15 Å²	15	85.7 Å²	85.7	10%	0.101	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.6	178.9	-53.9	0	0	0	0	110	G31 H32 R34 C37 Y48	G31-C50 WeakPolarHBondContact CA-O 3.39Å; H32-C50 PolarHBondContact N-O 2.82Å; H32-C50 WeakPolarHBondContact O-CA 3.31Å; H32-C50 WeakPolarHBondContact O-CB 3.47Å; H32-C50 PolarHBondContact O-N 3.33Å; H32-C50 PolarHBondContact O-SG 3.19Å; H32-C50 VanDerWaalsContact O-SG 3.4Å; R34-C50 WeakPolarHBondContact CB-SG 3.46Å; R34-C50 HydrophobicContact CG-CB 4.38Å; R34-C50 WeakPolarHBondContact CG-SG 3.14Å; C37-C50 HydrophobicContact CB-CB 3.98Å; C37-C50 WeakPolarHBondContact CB-SG 3.45Å; C37-C50 WeakPolarHBondContact SG-CB 3.07Å; C37-C50 CovalentContact SG-SG 1.98Å; C37-C50 PolarHBondContact SG-SG 3.29Å; Y48-C50 PolarHBondContact O-N 3.16Å
51	L	62.2	Low	56.5	Low	32 Å²	32	88 Å²	88	17%	0.168	45%	0.447	C	S	.	.			trans	-87.5	141.5	170.2	-58.2	169.9	0	0	0	109.1	V29 V39 I53 L56	V29-L51 HydrophobicContact CB-CD2 4.08Å; V29-L51 HydrophobicContact CG1-CD2 3.58Å; V39-L51 HydrophobicContact CG1-CD1 4.27Å; L51-I53 PolarHBondContact O-N 3.02Å; L51-L56 HydrophobicContact CD1-CD1 4.36Å
52	N	54.4	Low	56.1	Low	99 Å²	99	91.4 Å²	91.4	53%	0.529	46%	0.459	S	S	.	.			trans	-67.3	132.5	172	-167.7	-28.8	0	0	0	108.6	K54 E55 L56	N52-K54 PolarHBondContact O-N 3.09Å; N52-K54 VanDerWaalsContact O-N 3.09Å; N52-K54 PolarHBondContact OD1-N 2.99Å; N52-E55 HydrophobicContact CB-CG 4.28Å; N52-E55 WeakPolarHBondContact O-CA 3.49Å; N52-E55 WeakPolarHBondContact O-CB 3.39Å; N52-E55 PolarHBondContact O-N 3.45Å; N52-L56 PolarHBondContact O-N 3.31Å
53	I	55.8	Low	55.7	Low	100 Å²	100	89.6 Å²	89.6	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-57.1	-32.1	-173.5	-60.4	168.1	0	0	0	111.4	L51 E55 L56 E57	L51-I53 PolarHBondContact O-N 3.02Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 2.89Å; I53-L56 PolarHBondContact O-N 3.48Å; I53-E57 PolarHBondContact O-N 3.48Å
54	K	52.6	Low	55.1	Low	172 Å²	172	94.5 Å²	94.5	75%	0.748	48%	0.479	S	S	*	.	H	α-helix	trans	-62.2	-38.4	174.4	-66.4	-170.5	179	-174.3	0	112.9	N52 A58	N52-K54 PolarHBondContact O-N 3.09Å; N52-K54 VanDerWaalsContact O-N 3.09Å; N52-K54 PolarHBondContact OD1-N 2.99Å; K54-A58 PolarHBondContact O-N 2.88Å
55	E	53.5	Low	54.3	Low	68 Å²	68	89.5 Å²	89.5	32%	0.318	46%	0.464	S	S	.	.	H	α-helix	trans	-77.5	-33.1	178.1	-62.2	174.7	149.4	0	0	111.3	V29 N52 I53 A58 C59	V29-E55 HydrophobicContact CG1-CB 3.63Å; V29-E55 HydrophobicContact CG1-CG 4.19Å; V29-E55 WeakPolarHBondContact CG1-OE2 3.32Å; N52-E55 HydrophobicContact CB-CG 4.28Å; N52-E55 WeakPolarHBondContact O-CA 3.49Å; N52-E55 WeakPolarHBondContact O-CB 3.39Å; N52-E55 PolarHBondContact O-N 3.45Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 2.89Å; E55-A58 PolarHBondContact O-N 2.81Å; E55-C59 WeakPolarHBondContact O-CB 3.44Å; E55-C59 PolarHBondContact O-N 3.24Å
56	L	52.7	Low	53.6	Low	60 Å²	60	89.9 Å²	89.9	31%	0.314	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-42	173.2	-174.2	73.2	0	0	0	111.8	V39 L51 N52 I53 A58 C59 K60	V39-L56 HydrophobicContact CG1-CD1 4.18Å; V39-L56 HydrophobicContact CG2-CD1 4.38Å; V39-L56 HydrophobicContact CG2-CD2 3.63Å; L51-L56 HydrophobicContact CD1-CD1 4.36Å; N52-L56 PolarHBondContact O-N 3.31Å; I53-L56 PolarHBondContact O-N 3.48Å; L56-A58 VanDerWaalsContact C-N 3.33Å; L56-C59 PolarHBondContact O-N 2.91Å; L56-K60 VanDerWaalsContact O-CB 3.24Å; L56-K60 WeakPolarHBondContact O-CB 3.44Å; L56-K60 PolarHBondContact O-N 3.25Å
57	E	53.8	Low	53.1	Low	133 Å²	133	93.7 Å²	93.7	62%	0.621	47%	0.474	S	S	*	.	H	α-helix	trans	-64.3	-39.1	175.8	-74.9	-175.7	179.1	0	0	111.8	I53 K60 K61	I53-E57 PolarHBondContact O-N 3.48Å; E57-K60 PolarHBondContact O-N 3.29Å; E57-K61 WeakPolarHBondContact O-CB 3.46Å; E57-K61 PolarHBondContact O-N 2.92Å
58	A	52.4	Low	52.4	Low	53 Å²	53	93.1 Å²	93.1	44%	0.438	49%	0.486	S	S	.	.	H	α-helix	trans	-63.1	-45.5	172.4	0	0	0	0	0	111.7	K54 E55 L56 K61 I62	K54-A58 PolarHBondContact O-N 2.88Å; E55-A58 PolarHBondContact O-N 2.81Å; L56-A58 VanDerWaalsContact C-N 3.33Å; A58-K61 WeakPolarHBondContact O-CB 3.32Å; A58-K61 PolarHBondContact O-N 2.89Å; A58-I62 VanDerWaalsContact O-CG1 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.36Å; A58-I62 PolarHBondContact O-N 2.84Å
59	C	49.8	Very low	51.3	Low	30 Å²	30	97.5 Å²	97.5	20%	0.203	51%	0.507	C	S	.	.	H	α-helix	trans	-69.5	-33.3	178.9	-156.7	0	0	0	0	112.8	E55 L56 K61 I62 T63	E55-C59 WeakPolarHBondContact O-CB 3.44Å; E55-C59 PolarHBondContact O-N 3.24Å; L56-C59 PolarHBondContact O-N 2.91Å; C59-K61 VanDerWaalsContact C-N 3.34Å; C59-I62 PolarHBondContact O-N 3.25Å; C59-T63 WeakPolarHBondContact O-CB 3.33Å; C59-T63 PolarHBondContact O-N 2.83Å; C59-T63 PolarHBondContact O-OG1 3.31Å
60	K	50.9	Low	50.4	Low	144 Å²	144	102.3 Å²	102.3	63%	0.626	54%	0.538	S	S	*	.	H	α-helix	trans	-65.1	-40	171.7	-173.6	177.2	179.9	-175.5	0	110.3	L56 E57 I62 T63 N64	L56-K60 VanDerWaalsContact O-CB 3.24Å; L56-K60 WeakPolarHBondContact O-CB 3.44Å; L56-K60 PolarHBondContact O-N 3.25Å; E57-K60 PolarHBondContact O-N 3.29Å; K60-I62 VanDerWaalsContact C-N 3.3Å; K60-I62 PolarHBondContact O-N 3.43Å; K60-T63 PolarHBondContact O-N 3.34Å; K60-N64 PolarHBondContact O-N 2.97Å; K60-N64 VanDerWaalsContact O-N 3.09Å; K60-N64 PolarHBondContact O-ND2 2.99Å
61	K	50.1	Low	49.3	Very low	174 Å²	174	105.6 Å²	105.6	76%	0.757	57%	0.567	S	S	*	*	H	α-helix	trans	-64.4	-35.2	174	-160.6	178.8	-179.1	-173.1	0	111.9	E57 A58 C59	E57-K61 WeakPolarHBondContact O-CB 3.46Å; E57-K61 PolarHBondContact O-N 2.92Å; A58-K61 WeakPolarHBondContact O-CB 3.32Å; A58-K61 PolarHBondContact O-N 2.89Å; C59-K61 VanDerWaalsContact C-N 3.34Å
62	I	49.1	Very low	48.4	Very low	109 Å²	109	110.7 Å²	110.7	56%	0.559	60%	0.599	S	S	*	*	H	α-helix	trans	-70.4	-43.1	174.9	-64.6	163.6	0	0	0	111.6	A58 C59 K60 N64 S65	A58-I62 VanDerWaalsContact O-CG1 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.36Å; A58-I62 PolarHBondContact O-N 2.84Å; C59-I62 PolarHBondContact O-N 3.25Å; K60-I62 VanDerWaalsContact C-N 3.3Å; K60-I62 PolarHBondContact O-N 3.43Å; I62-N64 VanDerWaalsContact C-N 3.27Å; I62-N64 PolarHBondContact O-N 3.47Å; I62-S65 WeakPolarHBondContact O-CB 3.26Å; I62-S65 PolarHBondContact O-N 3.25Å
63	T	48.2	Very low	47.6	Very low	102 Å²	102	113.5 Å²	113.5	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-67.9	-26.8	-180	-55.4	0	0	0	0	112.6	C59 K60 S65	C59-T63 WeakPolarHBondContact O-CB 3.33Å; C59-T63 PolarHBondContact O-N 2.83Å; C59-T63 PolarHBondContact O-OG1 3.31Å; K60-T63 PolarHBondContact O-N 3.34Å; T63-S65 VanDerWaalsContact C-N 3.27Å
64	N	46.7	Very low	47.1	Very low	123 Å²	123	113.2 Å²	113.2	66%	0.658	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-0.2	173	-74	-77.3	0	0	0	113.5	K60 I62	K60-N64 PolarHBondContact O-N 2.97Å; K60-N64 VanDerWaalsContact O-N 3.09Å; K60-N64 PolarHBondContact O-ND2 2.99Å; I62-N64 VanDerWaalsContact C-N 3.27Å; I62-N64 PolarHBondContact O-N 3.47Å
65	S	41	Very low	46.3	Very low	72 Å²	72	112 Å²	112	50%	0.503	63%	0.627	S	S	.	*	S	Bend	trans	-64	139	162.7	-169.1	0	0	0	0	108	I62 T63 H67	I62-S65 WeakPolarHBondContact O-CB 3.26Å; I62-S65 PolarHBondContact O-N 3.25Å; T63-S65 VanDerWaalsContact C-N 3.27Å; S65-H67 PolarHBondContact O-N 2.99Å
66	P	42.4	Very low	46.1	Very low	116 Å²	116	116 Å²	116	75%	0.753	66%	0.656	S	S	*	*			trans	-52.4	105.8	-178.6	20	-32.6	0	0	0	109.4	P68	P66-P68 WeakPolarHBondContact O-CD 3.21Å; P66-P68 VanDerWaalsContact O-N 3.08Å
67	H	45.9	Very low	45.1	Very low	138 Å²	138	120 Å²	120	64%	0.639	68%	0.677	S	S	*	*			trans	-51.9	116.7	-177.5	-173	-91.1	0	0	0	107.9	S65 K69	S65-H67 PolarHBondContact O-N 2.99Å; H67-K69 PolarHBondContact O-N 3.3Å; H67-K69 VanDerWaalsContact O-N 3.12Å
68	P	47.5	Very low	44.3	Very low	110 Å²	110	119.2 Å²	119.2	71%	0.714	68%	0.683	S	S	*	*			trans	-59	125.4	170.5	23.1	-28.7	0	0	0	106.4	P66	P66-P68 WeakPolarHBondContact O-CD 3.21Å; P66-P68 VanDerWaalsContact O-N 3.08Å
69	K	41.3	Very low	43.5	Very low	196 Å²	196	125.9 Å²	125.9	85%	0.852	71%	0.705	S	S	*	*			trans	-41.8	125.5	-178.8	-72.1	167	176.4	168.7	0	108.9	H67 A71	H67-K69 PolarHBondContact O-N 3.3Å; H67-K69 VanDerWaalsContact O-N 3.12Å; K69-A71 PolarHBondContact O-N 3.29Å
70	P	45.1	Very low	42.9	Very low	102 Å²	102	131.7 Å²	131.7	66%	0.662	74%	0.735	S	S	*	*			trans	-60.5	114.9	179.4	21.6	-27.1	0	0	0	107.4	T72	P70-T72 PolarHBondContact O-N 3.46Å
71	A	40.3	Very low	42.1	Very low	85 Å²	85	135.1 Å²	135.1	70%	0.702	75%	0.745	S	S	*	*			trans	-62.7	122.4	174.4	0	0	0	0	0	107.4	K69 L73	K69-A71 PolarHBondContact O-N 3.29Å; A71-L73 VanDerWaalsContact C-N 3.26Å; A71-L73 PolarHBondContact O-N 3.44Å
72	T	43	Very low	41.4	Very low	138 Å²	138	132.3 Å²	132.3	85%	0.847	74%	0.742	S	S	*	*			trans	-60	86.1	176.4	-49.5	0	0	0	0	109.6	P70 A74	P70-T72 PolarHBondContact O-N 3.46Å; T72-A74 PolarHBondContact O-N 3.14Å
73	L	37.6	Very low	41.1	Very low	159 Å²	159	133.1 Å²	133.1	83%	0.832	75%	0.753	S	S	*	*			trans	-81.8	96.8	165	-73.6	172	0	0	0	106.8	A71 L75	A71-L73 VanDerWaalsContact C-N 3.26Å; A71-L73 PolarHBondContact O-N 3.44Å; L73-L75 PolarHBondContact O-N 3.49Å
74	A	45.4	Very low	40.8	Very low	93 Å²	93	135.9 Å²	135.9	77%	0.769	76%	0.762	S	S	*	*			trans	-59.3	100.4	164	0	0	0	0	0	108.2	T72	T72-A74 PolarHBondContact O-N 3.14Å
75	L	36.5	Very low	40.2	Very low	148 Å²	148	134.6 Å²	134.6	78%	0.775	76%	0.759	S	S	*	*			trans	-126.3	103.7	166.8	-140.3	81.9	0	0	0	107.4	L73 L77	L73-L75 PolarHBondContact O-N 3.49Å; L75-L77 PolarHBondContact O-N 3.35Å; L75-L77 VanDerWaalsContact O-N 3.11Å
76	T	47.6	Very low	40.3	Very low	151 Å²	151	139 Å²	139	93%	0.926	77%	0.771	S	S	*	*			trans	-45.6	108.7	169.6	-2.8	0	0	0	0	109.9
77	L	33.6	Very low	39.8	Very low	145 Å²	145	142.5 Å²	142.5	76%	0.759	77%	0.774	S	S	*	*			trans	-131.1	125.3	171.8	-145	147.8	0	0	0	107	L75 Q79	L75-L77 PolarHBondContact O-N 3.35Å; L75-L77 VanDerWaalsContact O-N 3.11Å; L77-Q79 PolarHBondContact O-N 3Å
78	P	35.3	Very low	39.5	Very low	115 Å²	115	145.4 Å²	145.4	75%	0.747	79%	0.786	S	S	*	*			trans	-59.6	131.9	-164.1	19.9	-31.4	0	0	0	112.6	D80	P78-D80 VanDerWaalsContact C-N 3.34Å; P78-D80 PolarHBondContact O-N 3.39Å
79	Q	37.2	Very low	39	Very low	193 Å²	193	145.9 Å²	145.9	90%	0.902	79%	0.789	S	S	*	*			trans	-66.4	86.8	172.1	-71.9	177.8	-17.7	0	0	109.6	L77	L77-Q79 PolarHBondContact O-N 3Å
80	D	36.3	Very low	39	Very low	153 Å²	153	143 Å²	143	82%	0.818	78%	0.781	S	S	*	*			trans	-154.2	74.8	164.5	-104.1	-27.3	0	0	0	110.3	P78	P78-D80 VanDerWaalsContact C-N 3.34Å; P78-D80 PolarHBondContact O-N 3.39Å
81	Y	35.1	Very low	38.5	Very low	215 Å²	215	146.2 Å²	146.2	84%	0.843	79%	0.792	S	S	*	*	S	Bend	trans	-150.3	95.5	139.7	72.8	-80.7	0	0	0	110.6
82	V	34.6	Very low	38.2	Very low	116 Å²	116	150.5 Å²	150.5	70%	0.703	80%	0.795	S	S	*	*			trans	45.5	101.7	134	-170.3	0	0	0	0	117.1	I84	V82-I84 HydrophobicContact CG1-CG1 4.31Å; V82-I84 PolarHBondContact O-N 3.04Å; V82-I84 VanDerWaalsContact O-N 3.13Å
83	T	42.7	Very low	37.8	Very low	126 Å²	126	153.9 Å²	153.9	77%	0.773	82%	0.816	S	S	*	*			trans	-31.5	106.5	147.3	-34.9	0	0	0	0	112.4
84	I	41.6	Very low	37.8	Very low	159 Å²	159	153.7 Å²	153.7	82%	0.815	82%	0.815	S	S	*	*			trans	-119.2	84.7	152.1	-55.1	-177.7	0	0	0	106.9	V82	V82-I84 HydrophobicContact CG1-CG1 4.31Å; V82-I84 PolarHBondContact O-N 3.04Å; V82-I84 VanDerWaalsContact O-N 3.13Å
85	T	35.2	Very low	37.4	Very low	97 Å²	97	156.8 Å²	156.8	60%	0.595	82%	0.817	S	S	*	*			trans	-12.3	128.2	149.3	-56.3	0	0	0	0	115.1
86	E	41.6	Very low	37.5	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	82%	0.82	S	S	*	*			trans	14.3	117.9	145.3	-63.6	-175.7	114	0	0	117.7
87	K	32.9	Very low	36.9	Very low	190 Å²	190	157.7 Å²	157.7	83%	0.826	81%	0.813	S	S	*	*				174.7	101.3	108.4	-91.8	167.1	-165.2	-164.9	0	109.5	P89	K87-P89 WeakPolarHBondContact O-CD 3.36Å
88	F	39.5	Very low	37.1	Very low	200 Å²	200	158.5 Å²	158.5	88%	0.877	82%	0.817	S	S	*	*			trans	-79.6	119.1	148.8	-87.1	-92.4	0	0	0	107.6	I90	F88-I90 PolarHBondContact O-N 3.32Å
89	P	37.5	Very low	37.2	Very low	119 Å²	119	161.4 Å²	161.4	77%	0.773	82%	0.821	S	S	*	*			trans	-83.3	105.8	147.2	21.4	-8.1	0	0	0	107.2	K87 L91	K87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-L91 PolarHBondContact O-N 3.31Å; P89-L91 VanDerWaalsContact O-N 3.08Å
90	I	41.1	Very low	37.2	Very low	136 Å²	136	159.1 Å²	159.1	70%	0.697	82%	0.816	S	S	*	*			trans	-59.6	104.7	158.1	-62.9	165.5	0	0	0	105.7	F88 K92	F88-I90 PolarHBondContact O-N 3.32Å; I90-K92 HydrophobicContact CG2-CB 4.17Å; I90-K92 HydrophobicContact CG2-CD 4.21Å; I90-K92 HydrophobicContact CG2-CG 3.94Å; I90-K92 PolarHBondContact O-N 3.39Å; I90-K92 VanDerWaalsContact O-N 3.08Å
91	L	33.2	Very low	37.3	Very low	170 Å²	170	159.6 Å²	159.6	89%	0.89	82%	0.815	S	S	*	*			trans	-75.5	95.7	166.9	-173.3	68.3	0	0	0	107.7	P89	P89-L91 PolarHBondContact O-N 3.31Å; P89-L91 VanDerWaalsContact O-N 3.08Å
92	K	35.5	Very low	37.5	Very low	174 Å²	174	155 Å²	155	76%	0.757	81%	0.813	S	S	*	*			trans	-132	121.3	163.3	-82	-172.1	176.1	-176.9	0	109.6	I90	I90-K92 HydrophobicContact CG2-CB 4.17Å; I90-K92 HydrophobicContact CG2-CD 4.21Å; I90-K92 HydrophobicContact CG2-CG 3.94Å; I90-K92 PolarHBondContact O-N 3.39Å; I90-K92 VanDerWaalsContact O-N 3.08Å
93	T	34.3	Very low	37.7	Very low	210 Å²	210	158.5 Å²	158.5	100%	1.288	82%	0.823	S	S	*	*			trans	82.1	0	172.7	-32.2	0	0	0	0	116

Retrieved 93 of 93 residues in 183.5 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).