A0A096NV21_PAPAN Loading...

Beta-defensin

Has antibacterial activity.

AlphaFold DB (A4H255), UniProt , Accession A0A096NV21, Species PAPAN (Papio anubis, Olive baboon), Gene DEFB128, Length 93 aa.

						>A0A096NV21_PAPAN|A0A096NV21|DEFB128
MKLFLVLIILLFEVLTDGARLKKCFNNVTGYCRKKCKVGEIHEIGCLSGKLCCVNDEENKKHVPFKKPHQQPVEKLSVQQDYVILPTITIFTV
					

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	64.7	Low	82.3	Confident	198 Å²	198	123.5 Å²	123.5	98%	0.975	62%	0.621	S	S	*	*				0	37.9	0	-53.5	-49.2	-172.7	0	0	113.9
2	K	79	Confident	82	Confident	179 Å²	179	124.7 Å²	124.7	78%	0.778	62%	0.619	S	S	*	*			trans	-98.9	-29.1	177.1	-78.2	-179.2	172.2	179.3	0	113.6	F4 L5 V6	K2-F4 PolarHBondContact O-N 3.12Å; K2-L5 WeakPolarHBondContact O-CB 3.46Å; K2-L5 PolarHBondContact O-N 3.48Å; K2-V6 PolarHBondContact O-N 3.4Å
3	L	82.7	Confident	81.7	Confident	150 Å²	150	124 Å²	124	79%	0.785	61%	0.613	S	S	*	*	H	α-helix	trans	-61.3	-41.2	-177.3	-69.8	171.2	0	0	0	112.8	L5 V6 L7	L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 3.21Å; L3-V6 PolarHBondContact O-N 3.38Å; L3-L7 PolarHBondContact O-N 3.32Å; L3-L7 VanDerWaalsContact O-N 3.12Å
4	F	84.2	Confident	81	Confident	145 Å²	145	122.7 Å²	122.7	64%	0.636	62%	0.615	S	S	*	*	H	α-helix	trans	-62.6	-37.1	177.6	-64.6	-73	0	0	0	112.8	K2 L7 I8	K2-F4 PolarHBondContact O-N 3.12Å; F4-L7 PolarHBondContact O-N 3.4Å; F4-I8 WeakPolarHBondContact O-CD1 3.28Å; F4-I8 WeakPolarHBondContact O-CG1 3.19Å; F4-I8 PolarHBondContact O-N 3.02Å
5	L	86.7	Confident	80.1	Confident	103 Å²	103	122.5 Å²	122.5	54%	0.539	62%	0.616	S	S	.	*	H	α-helix	trans	-62.3	-44.5	177.5	-95.2	157.1	0	0	0	111.7	K2 L3 L7 I8 I9	K2-L5 WeakPolarHBondContact O-CB 3.46Å; K2-L5 PolarHBondContact O-N 3.48Å; L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L5 PolarHBondContact O-N 3.21Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 2.95Å; L5-I8 PolarHBondContact O-N 2.96Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.3Å
6	V	87.6	Confident	79	Confident	92 Å²	92	120.9 Å²	120.9	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-62.9	-42.8	176.9	-179.2	0	0	0	0	110.7	K2 L3 I8 I9 L10	K2-V6 PolarHBondContact O-N 3.4Å; L3-V6 PolarHBondContact O-N 3.38Å; V6-I8 VanDerWaalsContact C-N 3.33Å; V6-I8 PolarHBondContact O-N 3.41Å; V6-I9 PolarHBondContact O-N 2.98Å; V6-L10 PolarHBondContact O-N 3.27Å
7	L	85.8	Confident	77.7	Confident	108 Å²	108	122.9 Å²	122.9	57%	0.565	63%	0.627	S	S	*	*	H	α-helix	trans	-60.5	-43.9	178	-149.5	87.5	0	0	0	111.5	L3 F4 L5 L10 L11	L3-L7 PolarHBondContact O-N 3.32Å; L3-L7 VanDerWaalsContact O-N 3.12Å; F4-L7 PolarHBondContact O-N 3.4Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 2.95Å; L7-L10 PolarHBondContact O-N 3.44Å; L7-L11 HydrophobicContact CD2-CD1 4.32Å; L7-L11 HydrophobicContact CG-CD1 4.34Å; L7-L11 WeakPolarHBondContact O-CB 3.29Å; L7-L11 VanDerWaalsContact O-CD1 3.29Å; L7-L11 WeakPolarHBondContact O-CD1 3.48Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 3.32Å
8	I	86.2	Confident	76.6	Confident	84 Å²	84	119.9 Å²	119.9	43%	0.431	63%	0.632	S	S	.	*	H	α-helix	trans	-62.5	-45.6	178.2	-68.4	162.4	0	0	0	110.7	F4 L5 V6 L10 L11 F12	F4-I8 WeakPolarHBondContact O-CD1 3.28Å; F4-I8 WeakPolarHBondContact O-CG1 3.19Å; F4-I8 PolarHBondContact O-N 3.02Å; L5-I8 PolarHBondContact O-N 2.96Å; V6-I8 VanDerWaalsContact C-N 3.33Å; V6-I8 PolarHBondContact O-N 3.41Å; I8-L10 PolarHBondContact O-N 3.16Å; I8-L11 WeakPolarHBondContact O-CB 3.26Å; I8-L11 PolarHBondContact O-N 3.01Å; I8-F12 HydrophobicContact CG2-CD2 3.66Å; I8-F12 HydrophobicContact CG2-CE2 3.59Å; I8-F12 VanDerWaalsContact O-CD2 3.24Å; I8-F12 WeakPolarHBondContact O-CD2 3.37Å; I8-F12 PolarHBondContact O-N 3.48Å
9	I	85.3	Confident	75.7	Confident	91 Å²	91	117.1 Å²	117.1	47%	0.467	63%	0.627	S	S	.	*	H	α-helix	trans	-60.9	-46.7	178.5	-65.5	162.8	0	0	0	110.5	L5 V6 L11 F12 E13	L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.4Å; L5-I9 PolarHBondContact O-N 3.3Å; V6-I9 PolarHBondContact O-N 2.98Å; I9-L11 VanDerWaalsContact C-N 3.3Å; I9-L11 PolarHBondContact O-N 3.31Å; I9-F12 PolarHBondContact O-N 3.01Å; I9-F12 VanDerWaalsContact O-N 3.16Å; I9-E13 PolarHBondContact O-N 3.37Å
10	L	81.8	Confident	75.1	Confident	103 Å²	103	122.9 Å²	122.9	54%	0.539	64%	0.64	S	S	.	*	H	α-helix	trans	-61.5	-39.4	178.4	-142	93.8	0	0	0	112.1	V6 L7 I8 E13 V14	V6-L10 PolarHBondContact O-N 3.27Å; L7-L10 PolarHBondContact O-N 3.44Å; I8-L10 PolarHBondContact O-N 3.16Å; L10-E13 PolarHBondContact O-N 3.39Å; L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.13Å; L10-V14 VanDerWaalsContact O-N 3.13Å
11	L	81.5	Confident	74.8	Confident	106 Å²	106	120.7 Å²	120.7	56%	0.555	63%	0.629	S	S	*	*	H	α-helix	trans	-64	-41.3	176.1	-78.6	157.2	0	0	0	111.7	L7 I8 I9 L15	L7-L11 HydrophobicContact CD2-CD1 4.32Å; L7-L11 HydrophobicContact CG-CD1 4.34Å; L7-L11 WeakPolarHBondContact O-CB 3.29Å; L7-L11 VanDerWaalsContact O-CD1 3.29Å; L7-L11 WeakPolarHBondContact O-CD1 3.48Å; L7-L11 VanDerWaalsContact O-CG 3.26Å; L7-L11 WeakPolarHBondContact O-CG 3.42Å; L7-L11 PolarHBondContact O-N 3.32Å; I8-L11 WeakPolarHBondContact O-CB 3.26Å; I8-L11 PolarHBondContact O-N 3.01Å; I9-L11 VanDerWaalsContact C-N 3.3Å; I9-L11 PolarHBondContact O-N 3.31Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 3.36Å
12	F	79.1	Confident	75.5	Confident	137 Å²	137	118.2 Å²	118.2	60%	0.601	61%	0.613	S	S	*	*	H	α-helix	trans	-64.6	-45.2	176.4	-88.8	-72.3	0	0	0	111.9	I8 I9 V14 L15 T16	I8-F12 HydrophobicContact CG2-CD2 3.66Å; I8-F12 HydrophobicContact CG2-CE2 3.59Å; I8-F12 VanDerWaalsContact O-CD2 3.24Å; I8-F12 WeakPolarHBondContact O-CD2 3.37Å; I8-F12 PolarHBondContact O-N 3.48Å; I9-F12 PolarHBondContact O-N 3.01Å; I9-F12 VanDerWaalsContact O-N 3.16Å; F12-V14 PolarHBondContact O-N 3.47Å; F12-L15 PolarHBondContact O-N 3.09Å; F12-T16 WeakPolarHBondContact O-CG2 3.24Å; F12-T16 PolarHBondContact O-N 3.34Å; F12-T16 VanDerWaalsContact O-N 3.09Å; F12-T16 PolarHBondContact O-OG1 3.03Å
13	E	77.3	Confident	75.7	Confident	116 Å²	116	116.8 Å²	116.8	54%	0.542	61%	0.606	S	S	.	*	H	α-helix	trans	-57.2	-51.1	177.6	-73.2	177.2	177.3	0	0	111.1	I9 L10 L15 T16	I9-E13 PolarHBondContact O-N 3.37Å; L10-E13 PolarHBondContact O-N 3.39Å; E13-L15 PolarHBondContact O-N 2.97Å; E13-T16 PolarHBondContact O-N 3.4Å; E13-T16 PolarHBondContact O-OG1 3.48Å
14	V	72.9	Confident	75.7	Confident	106 Å²	106	110.1 Å²	110.1	64%	0.642	57%	0.572	S	S	*	*	H	α-helix	trans	-64.9	-37.8	-179.2	175	0	0	0	0	112.4	L10 F12 T16 G18	L10-V14 WeakPolarHBondContact O-CG2 3.28Å; L10-V14 PolarHBondContact O-N 3.13Å; L10-V14 VanDerWaalsContact O-N 3.13Å; F12-V14 PolarHBondContact O-N 3.47Å; V14-T16 VanDerWaalsContact C-N 3.31Å; V14-T16 PolarHBondContact O-N 3.49Å; V14-G18 PolarHBondContact O-N 3.46Å
15	L	67.5	Low	75.5	Confident	119 Å²	119	107.5 Å²	107.5	62%	0.623	56%	0.561	S	S	*	*	H	α-helix	trans	-67.4	-33.9	179.9	-163.8	76.2	0	0	0	111.8	L11 F12 E13 A19	L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.34Å; L11-L15 PolarHBondContact O-N 3.36Å; F12-L15 PolarHBondContact O-N 3.09Å; E13-L15 PolarHBondContact O-N 2.97Å; L15-A19 VanDerWaalsContact O-CB 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 3.26Å
16	T	62.3	Low	74.7	Confident	97 Å²	97	109.4 Å²	109.4	60%	0.595	57%	0.571	S	S	*	*	H	α-helix	trans	-67.9	-37.1	-177.6	53.3	0	0	0	0	113.7	F12 E13 V14	F12-T16 WeakPolarHBondContact O-CG2 3.24Å; F12-T16 PolarHBondContact O-N 3.34Å; F12-T16 VanDerWaalsContact O-N 3.09Å; F12-T16 PolarHBondContact O-OG1 3.03Å; E13-T16 PolarHBondContact O-N 3.4Å; E13-T16 PolarHBondContact O-OG1 3.48Å; V14-T16 VanDerWaalsContact C-N 3.31Å; V14-T16 PolarHBondContact O-N 3.49Å
17	D	56.4	Low	74.1	Confident	156 Å²	156	112.9 Å²	112.9	83%	0.834	59%	0.587	S	S	*	*	H	α-helix	trans	-80.7	-30.3	-177.9	-82.8	-29.3	0	0	0	113.5
18	G	57.6	Low	73.6	Confident	68 Å²	68	109.2 Å²	109.2	70%	0.701	57%	0.569	S	S	*	*	H	α-helix	trans	-84.6	-28.6	-175.8	0	0	0	0	0	115.4	V14	V14-G18 PolarHBondContact O-N 3.46Å
19	A	59.1	Low	73.4	Confident	67 Å²	67	107.9 Å²	107.9	55%	0.554	57%	0.565	S	S	*	*	S	Bend	trans	-90.9	-23.7	-156	0	0	0	0	0	115.9	L15 L21	L15-A19 VanDerWaalsContact O-CB 3.24Å; L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 3.26Å; A19-L21 PolarHBondContact O-N 2.76Å
20	R	64	Low	73.4	Confident	233 Å²	233	104 Å²	104	88%	0.879	55%	0.547	S	S	*	.			trans	-85.3	84.1	-174.1	-66.8	-166.1	-179	-166.3	2.4	111.3	K22	R20-K22 PolarHBondContact O-N 3.49Å; R20-K22 VanDerWaalsContact O-N 3.08Å
21	L	69.3	Low	73.6	Confident	77 Å²	77	104.2 Å²	104.2	40%	0.403	54%	0.541	S	S	.	.			trans	-60.4	111.1	169.7	-149.6	69.8	0	0	0	108.6	A19 K23 Y31 C32 R33	A19-L21 PolarHBondContact O-N 2.76Å; L21-K23 PolarHBondContact O-N 3.08Å; L21-Y31 HydrophobicContact CB-CD1 3.97Å; L21-Y31 HydrophobicContact CD2-CD1 3.96Å; L21-Y31 HydrophobicContact CD2-CG 3.81Å; L21-Y31 HydrophobicContact CG-CD1 4.16Å; L21-Y31 HydrophobicContact CG-CG 4.39Å; L21-C32 WeakPolarHBondContact CD1-O 3.36Å; L21-R33 HydrophobicContact CD1-CG 4.29Å; L21-R33 HydrophobicContact CD2-CG 3.93Å
22	K	79.5	Confident	73.8	Confident	146 Å²	146	99.4 Å²	99.4	64%	0.635	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-64.4	136.5	-179.8	-67.7	-175	179.1	-179	0	109.3	R20 C32	R20-K22 PolarHBondContact O-N 3.49Å; R20-K22 VanDerWaalsContact O-N 3.08Å; K22-C32 HydrophobicContact CB-CB 4.46Å; K22-C32 WeakPolarHBondContact O-CB 3.43Å; K22-C32 PolarHBondContact O-N 3Å; K22-C32 PolarHBondContact O-SG 2.75Å; K22-C32 VanDerWaalsContact O-SG 3.41Å
23	K	83.2	Confident	74.2	Confident	148 Å²	148	96 Å²	96	64%	0.643	50%	0.5	S	S	*	.	B	Isolated β-bridge	trans	-68	157.3	170	-69	-173.5	177.4	-175.5	0	109.9	L21 G30 Y31 C32	L21-K23 PolarHBondContact O-N 3.08Å; K23-G30 WeakPolarHBondContact CA-O 3.15Å; K23-Y31 HydrophobicContact CG-CD1 4.43Å; K23-Y31 HydrophobicContact CG-CE1 4.21Å; K23-C32 PolarHBondContact O-SG 3.33Å
24	C	83.5	Confident	74.6	Confident	11 Å²	11	99 Å²	99	7%	0.074	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-65.1	156.3	174.8	-57.6	0	0	0	0	112.4	V28 G30 C52	C24-V28 HydrophobicContact CB-CB 4.32Å; C24-G30 PolarHBondContact N-O 3.19Å; C24-G30 VanDerWaalsContact N-O 3.14Å; C24-G30 PolarHBondContact SG-O 3.05Å; C24-C52 HydrophobicContact CB-CB 3.83Å; C24-C52 WeakPolarHBondContact CB-SG 2.9Å; C24-C52 WeakPolarHBondContact SG-CA 3.33Å; C24-C52 WeakPolarHBondContact SG-CB 3.49Å; C24-C52 CovalentContact SG-SG 1.99Å; C24-C52 PolarHBondContact SG-SG 3.28Å
25	F	78.7	Confident	75.1	Confident	90 Å²	90	102.3 Å²	102.3	40%	0.395	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-74.8	156	170.9	-61	-80.8	0	0	0	109.5	C46 L47	F25-C46 HydrophobicContact CE2-CB 4.37Å; F25-L47 HydrophobicContact CE1-CD1 4Å; F25-L47 HydrophobicContact CE2-CB 4.13Å; F25-L47 HydrophobicContact CE2-CD1 4.04Å; F25-L47 HydrophobicContact CE2-CG 3.76Å; F25-L47 HydrophobicContact CZ-CB 4.24Å; F25-L47 HydrophobicContact CZ-CD1 3.38Å; F25-L47 HydrophobicContact CZ-CG 3.66Å
26	N	71.2	Confident	76	Confident	142 Å²	142	98.5 Å²	98.5	76%	0.759	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	73.2	28.3	-176.9	-80.6	15.5	0	0	0	118.2	V28	N26-V28 HydrophobicContact CB-CG2 4.43Å; N26-V28 PolarHBondContact O-N 3.06Å
27	N	73.1	Confident	77.2	Confident	165 Å²	165	100.6 Å²	100.6	88%	0.882	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	59.5	21.2	173.8	-158.7	33.4	0	0	0	113.6
28	V	76	Confident	78.5	Confident	31 Å²	31	100.7 Å²	100.7	19%	0.188	51%	0.506	C	S	.	.			trans	-75.1	134.8	173.5	-175.8	0	0	0	0	108.3	C24 N26 G30 I44 V54	C24-V28 HydrophobicContact CB-CB 4.32Å; N26-V28 HydrophobicContact CB-CG2 4.43Å; N26-V28 PolarHBondContact O-N 3.06Å; V28-G30 VanDerWaalsContact C-N 3.27Å; V28-G30 PolarHBondContact O-N 2.8Å; V28-I44 HydrophobicContact CG2-CD1 4.32Å; V28-V54 HydrophobicContact CG1-CB 4.48Å; V28-V54 HydrophobicContact CG1-CG1 4.11Å; V28-V54 HydrophobicContact CG1-CG2 3.5Å
29	T	81.6	Confident	79.7	Confident	57 Å²	57	100.4 Å²	100.4	35%	0.35	50%	0.503	S	S	.	.	S	Bend	trans	-74	82	175.1	46.5	0	0	0	0	109.7
30	G	85.9	Confident	81	Confident	8 Å²	8	98.7 Å²	98.7	8%	0.082	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	170.2	-179.5	0	0	0	0	0	112.6	K23 C24 V28 C53	K23-G30 WeakPolarHBondContact CA-O 3.15Å; C24-G30 PolarHBondContact N-O 3.19Å; C24-G30 VanDerWaalsContact N-O 3.14Å; C24-G30 PolarHBondContact SG-O 3.05Å; V28-G30 VanDerWaalsContact C-N 3.27Å; V28-G30 PolarHBondContact O-N 2.8Å; G30-C53 VanDerWaalsContact CA-O 3.24Å; G30-C53 WeakPolarHBondContact CA-O 2.98Å
31	Y	86.2	Confident	81.9	Confident	109 Å²	109	90.2 Å²	90.2	43%	0.427	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.2	-179.6	-66.8	-87.9	0	0	0	112.2	L21 K23 R33 C53	L21-Y31 HydrophobicContact CB-CD1 3.97Å; L21-Y31 HydrophobicContact CD2-CD1 3.96Å; L21-Y31 HydrophobicContact CD2-CG 3.81Å; L21-Y31 HydrophobicContact CG-CD1 4.16Å; L21-Y31 HydrophobicContact CG-CG 4.39Å; K23-Y31 HydrophobicContact CG-CD1 4.43Å; K23-Y31 HydrophobicContact CG-CE1 4.21Å; Y31-R33 PolarHBondContact O-N 3.33Å; Y31-C53 PolarHBondContact N-O 3.1Å; Y31-C53 VanDerWaalsContact N-O 3.13Å; Y31-C53 PolarHBondContact O-N 3.13Å
32	C	86.3	Confident	82.5	Confident	5 Å²	5	90.2 Å²	90.2	3%	0.034	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	112.4	177	-60	0	0	0	0	111	L21 K22 K23 C46 K50 L51	L21-C32 WeakPolarHBondContact CD1-O 3.36Å; K22-C32 HydrophobicContact CB-CB 4.46Å; K22-C32 WeakPolarHBondContact O-CB 3.43Å; K22-C32 PolarHBondContact O-N 3Å; K22-C32 PolarHBondContact O-SG 2.75Å; K22-C32 VanDerWaalsContact O-SG 3.41Å; K23-C32 PolarHBondContact O-SG 3.33Å; C32-C46 VanDerWaalsContact CA-SG 3.56Å; C32-C46 HydrophobicContact CB-CB 3.61Å; C32-C46 WeakPolarHBondContact CB-SG 3.44Å; C32-C46 WeakPolarHBondContact SG-CB 3.22Å; C32-C46 CovalentContact SG-SG 2.02Å; C32-C46 PolarHBondContact SG-SG 2.87Å; C32-K50 HydrophobicContact CB-CB 4.32Å; C32-K50 HydrophobicContact CB-CD 4.41Å; C32-L51 WeakPolarHBondContact CA-O 3.39Å
33	R	86.2	Confident	82.2	Confident	65 Å²	65	90.2 Å²	90.2	25%	0.245	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	162.2	176.6	-61.7	180	-179.2	155.7	6.7	110.4	L21 Y31 K35 E40 K50 L51	L21-R33 HydrophobicContact CD1-CG 4.29Å; L21-R33 HydrophobicContact CD2-CG 3.93Å; Y31-R33 PolarHBondContact O-N 3.33Å; R33-K35 VanDerWaalsContact C-N 3.34Å; R33-K35 WeakPolarHBondContact CB-O 3.23Å; R33-E40 IonicContact CZ-OE1 3.78Å; R33-E40 IonicContact NH1-OE1 2.75Å; R33-E40 PolarHBondContact NH1-OE1 3.44Å; R33-E40 IonicContact NH1-OE2 3.19Å; R33-E40 PolarHBondContact NH1-OE2 3.14Å; R33-K50 WeakPolarHBondContact O-CB 3.44Å; R33-L51 PolarHBondContact N-O 2.89Å; R33-L51 PolarHBondContact O-N 3.46Å; R33-L51 VanDerWaalsContact O-O 3.12Å
34	K	85.7	Confident	82	Confident	178 Å²	178	86 Å²	86	77%	0.774	44%	0.439	S	S	*	.	S	Bend	trans	-72	-32.1	172.4	-71.6	-175.3	177.7	-178.4	0	112
35	K	84.6	Confident	81.8	Confident	177 Å²	177	87.8 Å²	87.8	77%	0.77	46%	0.46	S	S	*	.	S	Bend	trans	-139.7	140.8	178	-66	-172.2	177.1	-174	0	108.9	R33	R33-K35 VanDerWaalsContact C-N 3.34Å; R33-K35 WeakPolarHBondContact CB-O 3.23Å
36	C	86.5	Confident	82.1	Confident	39 Å²	39	84.1 Å²	84.1	26%	0.264	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-85.9	155.1	173.3	-55.3	0	0	0	0	110.4	E40 C53	C36-E40 WeakPolarHBondContact CA-OE2 3.03Å; C36-E40 HydrophobicContact CB-CB 3.87Å; C36-C53 WeakPolarHBondContact CA-SG 3.38Å; C36-C53 HydrophobicContact CB-CB 3.7Å; C36-C53 WeakPolarHBondContact CB-SG 3.24Å; C36-C53 VanDerWaalsContact SG-CA 3.5Å; C36-C53 WeakPolarHBondContact SG-CB 3.45Å; C36-C53 CovalentContact SG-SG 2.04Å; C36-C53 PolarHBondContact SG-SG 3.49Å
37	K	85.7	Confident	82.5	Confident	140 Å²	140	83.1 Å²	83.1	61%	0.609	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-73.8	159.6	173	-63.8	-179.3	178.6	-176.6	0	109.7	G39 E40	K37-G39 PolarHBondContact O-N 2.89Å; K37-E40 HydrophobicContact CB-CG 4.19Å; K37-E40 PolarHBondContact N-OE2 2.85Å; K37-E40 WeakPolarHBondContact O-CB 3.39Å; K37-E40 PolarHBondContact O-N 3.49Å
38	V	84.7	Confident	82.6	Confident	159 Å²	159	80.6 Å²	80.6	96%	0.964	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	126.1	173	-178.4	0	0	0	0	108.6
39	G	83.3	Confident	82.7	Confident	62 Å²	62	82.8 Å²	82.8	64%	0.639	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-8.2	-175.2	0	0	0	0	0	115.2	K37	K37-G39 PolarHBondContact O-N 2.89Å
40	E	85.1	Confident	82.9	Confident	30 Å²	30	83.9 Å²	83.9	14%	0.14	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	138.5	168.3	-74.8	172.6	176.3	0	0	109.6	R33 C36 K37 C53 V54 N55	R33-E40 IonicContact CZ-OE1 3.78Å; R33-E40 IonicContact NH1-OE1 2.75Å; R33-E40 PolarHBondContact NH1-OE1 3.44Å; R33-E40 IonicContact NH1-OE2 3.19Å; R33-E40 PolarHBondContact NH1-OE2 3.14Å; C36-E40 WeakPolarHBondContact CA-OE2 3.03Å; C36-E40 HydrophobicContact CB-CB 3.87Å; K37-E40 HydrophobicContact CB-CG 4.19Å; K37-E40 PolarHBondContact N-OE2 2.85Å; K37-E40 WeakPolarHBondContact O-CB 3.39Å; K37-E40 PolarHBondContact O-N 3.49Å; E40-C53 HydrophobicContact CB-CB 4.33Å; E40-C53 VanDerWaalsContact OE2-CB 3.23Å; E40-C53 WeakPolarHBondContact OE2-CB 3.02Å; E40-V54 WeakPolarHBondContact CA-O 3.02Å; E40-N55 WeakPolarHBondContact CG-OD1 3.42Å
41	I	83.3	Confident	83	Confident	55 Å²	55	86.4 Å²	86.4	28%	0.282	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	152.9	172.3	59.2	170.6	0	0	0	110.5	V54 D56	I41-V54 HydrophobicContact CG1-CB 4.1Å; I41-V54 WeakPolarHBondContact CG1-O 3.16Å; I41-V54 PolarHBondContact N-O 3.41Å; I41-V54 PolarHBondContact O-N 2.76Å; I41-D56 HydrophobicContact CD1-CB 4.43Å
42	H	82.7	Confident	83.1	Confident	77 Å²	77	81.3 Å²	81.3	36%	0.356	46%	0.455	S	S	.	.			trans	-131.6	114.6	177.2	172.8	63.9	0	0	0	110.6	I44 L51 C52	H42-I44 PolarHBondContact CE1-O 3.28Å; H42-L51 WeakPolarHBondContact CE1-CA 3.45Å; H42-L51 WeakPolarHBondContact ND1-CB 3.46Å; H42-L51 WeakPolarHBondContact NE2-CD2 3.45Å; H42-C52 WeakPolarHBondContact CA-O 2.96Å; H42-C52 PolarHBondContact CE1-N 2.95Å; H42-C52 VanDerWaalsContact CE1-N 3.28Å; H42-C52 PolarHBondContact ND1-N 3.09Å; H42-C52 VanDerWaalsContact ND1-N 3.14Å; H42-C52 PolarHBondContact ND1-O 2.81Å
43	E	72.8	Confident	83.1	Confident	147 Å²	147	81.3 Å²	81.3	69%	0.687	46%	0.455	S	S	*	.			trans	-112	-31.5	178.5	-67	-176.9	174.6	0	0	113.3
44	I	78.1	Confident	83.1	Confident	60 Å²	60	78.6 Å²	78.6	31%	0.308	45%	0.445	S	S	.	.	S	Bend	trans	-130.1	128.9	-168.8	-54.8	173.7	0	0	0	111	V28 H42 C52	V28-I44 HydrophobicContact CG2-CD1 4.32Å; H42-I44 PolarHBondContact CE1-O 3.28Å; I44-C52 WeakPolarHBondContact O-CB 2.9Å; I44-C52 PolarHBondContact O-N 3.36Å; I44-C52 VanDerWaalsContact O-N 3.1Å
45	G	80.9	Confident	82.9	Confident	48 Å²	48	73 Å²	73	50%	0.495	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.1	171.8	0	0	0	0	0	112.8
46	C	84.9	Confident	82.3	Confident	12 Å²	12	68.3 Å²	68.3	8%	0.081	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	159.4	168	-67.8	0	0	0	0	111.3	F25 C32 S48 G49 K50	F25-C46 HydrophobicContact CE2-CB 4.37Å; C32-C46 VanDerWaalsContact CA-SG 3.56Å; C32-C46 HydrophobicContact CB-CB 3.61Å; C32-C46 WeakPolarHBondContact CB-SG 3.44Å; C32-C46 WeakPolarHBondContact SG-CB 3.22Å; C32-C46 CovalentContact SG-SG 2.02Å; C32-C46 PolarHBondContact SG-SG 2.87Å; C46-S48 PolarHBondContact O-N 2.04Å; C46-G49 PolarHBondContact O-N 3.19Å; C46-K50 HydrophobicContact CB-CB 3.96Å; C46-K50 PolarHBondContact N-O 3.26Å
47	L	78.1	Confident	81.4	Confident	121 Å²	121	74.7 Å²	74.7	63%	0.634	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	136.5	168.5	-68.8	172	0	0	0	110.2	F25	F25-L47 HydrophobicContact CE1-CD1 4Å; F25-L47 HydrophobicContact CE2-CB 4.13Å; F25-L47 HydrophobicContact CE2-CD1 4.04Å; F25-L47 HydrophobicContact CE2-CG 3.76Å; F25-L47 HydrophobicContact CZ-CB 4.24Å; F25-L47 HydrophobicContact CZ-CD1 3.38Å; F25-L47 HydrophobicContact CZ-CG 3.66Å
48	S	76.7	Confident	80.2	Confident	113 Å²	113	73.1 Å²	73.1	79%	0.79	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	26	-177.1	-39.1	0	0	0	0	116.2	C46 K50	C46-S48 PolarHBondContact O-N 2.04Å; S48-K50 VanDerWaalsContact C-N 3.25Å; S48-K50 PolarHBondContact O-N 3.25Å
49	G	77.8	Confident	79	Confident	77 Å²	77	66.7 Å²	66.7	79%	0.794	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	23	173.7	0	0	0	0	0	113.8	C46	C46-G49 PolarHBondContact O-N 3.19Å
50	K	85.9	Confident	77.7	Confident	80 Å²	80	71.3 Å²	71.3	35%	0.348	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	155.9	172.3	-67.6	178.8	-173.5	-180	0	109.5	C32 R33 C46 S48	C32-K50 HydrophobicContact CB-CB 4.32Å; C32-K50 HydrophobicContact CB-CD 4.41Å; R33-K50 WeakPolarHBondContact O-CB 3.44Å; C46-K50 HydrophobicContact CB-CB 3.96Å; C46-K50 PolarHBondContact N-O 3.26Å; S48-K50 VanDerWaalsContact C-N 3.25Å; S48-K50 PolarHBondContact O-N 3.25Å
51	L	87.3	Confident	76.2	Confident	61 Å²	61	78.5 Å²	78.5	32%	0.319	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.8	176.7	-55.9	172.4	0	0	0	109.2	C32 R33 H42 C53	C32-L51 WeakPolarHBondContact CA-O 3.39Å; R33-L51 PolarHBondContact N-O 2.89Å; R33-L51 PolarHBondContact O-N 3.46Å; R33-L51 VanDerWaalsContact O-O 3.12Å; H42-L51 WeakPolarHBondContact CE1-CA 3.45Å; H42-L51 WeakPolarHBondContact ND1-CB 3.46Å; H42-L51 WeakPolarHBondContact NE2-CD2 3.45Å; L51-C53 PolarHBondContact O-N 3.14Å
52	C	87.8	Confident	74.4	Confident	2 Å²	2	81.7 Å²	81.7	1%	0.014	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	113	163.3	175.6	0	0	0	0	108.8	C24 H42 I44 V54	C24-C52 HydrophobicContact CB-CB 3.83Å; C24-C52 WeakPolarHBondContact CB-SG 2.9Å; C24-C52 WeakPolarHBondContact SG-CA 3.33Å; C24-C52 WeakPolarHBondContact SG-CB 3.49Å; C24-C52 CovalentContact SG-SG 1.99Å; C24-C52 PolarHBondContact SG-SG 3.28Å; H42-C52 WeakPolarHBondContact CA-O 2.96Å; H42-C52 PolarHBondContact CE1-N 2.95Å; H42-C52 VanDerWaalsContact CE1-N 3.28Å; H42-C52 PolarHBondContact ND1-N 3.09Å; H42-C52 VanDerWaalsContact ND1-N 3.14Å; H42-C52 PolarHBondContact ND1-O 2.81Å; I44-C52 WeakPolarHBondContact O-CB 2.9Å; I44-C52 PolarHBondContact O-N 3.36Å; I44-C52 VanDerWaalsContact O-N 3.1Å; C52-V54 VanDerWaalsContact SG-CG2 3.51Å
53	C	87.9	Confident	72.7	Confident	5 Å²	5	83.4 Å²	83.4	3%	0.034	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.4	176.5	-52.7	0	0	0	0	109.3	G30 Y31 C36 E40 L51	G30-C53 VanDerWaalsContact CA-O 3.24Å; G30-C53 WeakPolarHBondContact CA-O 2.98Å; Y31-C53 PolarHBondContact N-O 3.1Å; Y31-C53 VanDerWaalsContact N-O 3.13Å; Y31-C53 PolarHBondContact O-N 3.13Å; C36-C53 WeakPolarHBondContact CA-SG 3.38Å; C36-C53 HydrophobicContact CB-CB 3.7Å; C36-C53 WeakPolarHBondContact CB-SG 3.24Å; C36-C53 VanDerWaalsContact SG-CA 3.5Å; C36-C53 WeakPolarHBondContact SG-CB 3.45Å; C36-C53 CovalentContact SG-SG 2.04Å; C36-C53 PolarHBondContact SG-SG 3.49Å; E40-C53 HydrophobicContact CB-CB 4.33Å; E40-C53 VanDerWaalsContact OE2-CB 3.23Å; E40-C53 WeakPolarHBondContact OE2-CB 3.02Å; L51-C53 PolarHBondContact O-N 3.14Å
54	V	85.9	Confident	71.4	Confident	7 Å²	7	81.2 Å²	81.2	4%	0.042	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.7	-175.7	-176.1	0	0	0	0	108.1	V28 E40 I41 C52 D56 N59	V28-V54 HydrophobicContact CG1-CB 4.48Å; V28-V54 HydrophobicContact CG1-CG1 4.11Å; V28-V54 HydrophobicContact CG1-CG2 3.5Å; E40-V54 WeakPolarHBondContact CA-O 3.02Å; I41-V54 HydrophobicContact CG1-CB 4.1Å; I41-V54 WeakPolarHBondContact CG1-O 3.16Å; I41-V54 PolarHBondContact N-O 3.41Å; I41-V54 PolarHBondContact O-N 2.76Å; C52-V54 VanDerWaalsContact SG-CG2 3.51Å; V54-D56 PolarHBondContact O-N 3.3Å; V54-N59 HydrophobicContact CG1-CB 3.81Å
55	N	81.3	Confident	69.5	Low	62 Å²	62	86.9 Å²	86.9	33%	0.332	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.2	170.3	-79.1	-31.2	0	0	0	108.5	E40 E57 E58 N59	E40-N55 WeakPolarHBondContact CG-OD1 3.42Å; N55-E57 PolarHBondContact O-N 1.99Å; N55-E58 HydrophobicContact CB-CB 4.22Å; N55-E58 HydrophobicContact CB-CG 4.12Å; N55-E58 PolarHBondContact O-N 2.02Å; N55-N59 PolarHBondContact O-N 2.77Å; N55-N59 VanDerWaalsContact O-N 3.09Å
56	D	72.7	Confident	67.5	Low	78 Å²	78	93.8 Å²	93.8	42%	0.417	49%	0.488	S	S	.	.	H	α-helix	trans	-59.5	-34	178	-164.3	22.2	0	0	0	111.3	I41 V54 E58 N59 K60	I41-D56 HydrophobicContact CD1-CB 4.43Å; V54-D56 PolarHBondContact O-N 3.3Å; D56-E58 VanDerWaalsContact C-N 3.31Å; D56-E58 PolarHBondContact O-N 3.46Å; D56-N59 PolarHBondContact O-N 2.97Å; D56-K60 PolarHBondContact O-N 2.87Å
57	E	67.1	Low	65.1	Low	172 Å²	172	100.5 Å²	100.5	80%	0.804	52%	0.516	S	S	*	.	H	α-helix	trans	-60	-36.5	174.6	-62.6	-166.4	155.7	0	0	113.5	N55	N55-E57 PolarHBondContact O-N 1.99Å
58	E	61	Low	63.2	Low	108 Å²	108	100.9 Å²	100.9	51%	0.505	53%	0.525	S	S	.	.	H	α-helix	trans	-80.3	-34.1	178	-70.2	-177.7	-169.3	0	0	111.6	N55 D56 K60 K61	N55-E58 HydrophobicContact CB-CB 4.22Å; N55-E58 HydrophobicContact CB-CG 4.12Å; N55-E58 PolarHBondContact O-N 2.02Å; D56-E58 VanDerWaalsContact C-N 3.31Å; D56-E58 PolarHBondContact O-N 3.46Å; E58-K60 PolarHBondContact O-N 3.39Å; E58-K61 PolarHBondContact O-N 3.05Å
59	N	58	Low	61.4	Low	24 Å²	24	103.5 Å²	103.5	13%	0.128	53%	0.525	C	S	.	.	H	α-helix	trans	-79.3	-16.5	-173.4	-146.5	22.5	0	0	0	113.7	V54 N55 D56 K61 H62	V54-N59 HydrophobicContact CG1-CB 3.81Å; N55-N59 PolarHBondContact O-N 2.77Å; N55-N59 VanDerWaalsContact O-N 3.09Å; D56-N59 PolarHBondContact O-N 2.97Å; N59-K61 PolarHBondContact O-N 3.33Å; N59-H62 CarbonylContact O-C 3.6Å; N59-H62 PolarHBondContact O-N 2.97Å
60	K	55.7	Low	59.2	Low	159 Å²	159	108.2 Å²	108.2	69%	0.691	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-21.7	169.7	-78.4	-179.4	-176.4	177.5	0	113.7	D56 E58	D56-K60 PolarHBondContact O-N 2.87Å; E58-K60 PolarHBondContact O-N 3.39Å
61	K	53.6	Low	56.5	Low	181 Å²	181	112.7 Å²	112.7	79%	0.787	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-17.9	175.7	-68	-176.8	-179.6	179.5	0	114.3	E58 N59	E58-K61 PolarHBondContact O-N 3.05Å; N59-K61 PolarHBondContact O-N 3.33Å
62	H	46.3	Very low	54	Low	122 Å²	122	116 Å²	116	57%	0.565	57%	0.573	S	S	*	*			trans	-131.9	43.1	-169.3	-65.9	95.5	0	0	0	113	N59 P64	N59-H62 CarbonylContact O-C 3.6Å; N59-H62 PolarHBondContact O-N 2.97Å; H62-P64 WeakPolarHBondContact O-CD 2.84Å
63	V	47.1	Very low	51.4	Low	112 Å²	112	121.9 Å²	121.9	68%	0.679	61%	0.609	S	S	*	*			trans	-93.4	85.4	164	-172	0	0	0	0	109.1	F65	V63-F65 PolarHBondContact O-N 3.14Å; V63-F65 VanDerWaalsContact O-N 3.14Å
64	P	44.6	Very low	48.6	Very low	102 Å²	102	128.4 Å²	128.4	66%	0.662	64%	0.639	S	S	*	*			trans	-73.9	102.1	156	30.5	-27.3	0	0	0	106.1	H62 K66	H62-P64 WeakPolarHBondContact O-CD 2.84Å; P64-K66 VanDerWaalsContact C-N 3.32Å; P64-K66 PolarHBondContact O-N 2.96Å
65	F	38.5	Very low	46	Very low	179 Å²	179	136.2 Å²	136.2	79%	0.785	67%	0.672	S	S	*	*			trans	-22.2	82.2	167.1	-161.5	-97.4	0	0	0	113.6	V63 K67	V63-F65 PolarHBondContact O-N 3.14Å; V63-F65 VanDerWaalsContact O-N 3.14Å; F65-K67 HydrophobicContact CE1-CG 4.48Å
66	K	38.8	Very low	43.7	Very low	193 Å²	193	141 Å²	141	84%	0.839	70%	0.697	S	S	*	*			trans	-99.4	103.2	174.7	-92.4	-172	170.2	-178	0	107.7	P64	P64-K66 VanDerWaalsContact C-N 3.32Å; P64-K66 PolarHBondContact O-N 2.96Å
67	K	34.7	Very low	41.9	Very low	153 Å²	153	142.3 Å²	142.3	67%	0.665	71%	0.712	S	S	*	*			trans	-41.1	144.7	173.9	-74.1	170.4	175.7	175	0	111.9	F65 H69	F65-K67 HydrophobicContact CE1-CG 4.48Å; K67-H69 PolarHBondContact O-N 2.72Å
68	P	38.7	Very low	40.6	Very low	128 Å²	128	139.9 Å²	139.9	83%	0.831	71%	0.709	S	S	*	*			trans	-65.8	94.1	-176.9	27.5	-33.9	0	0	0	110.3	Q70	P68-Q70 PolarHBondContact O-N 3.41Å
69	H	37.6	Very low	39.6	Very low	169 Å²	169	142.2 Å²	142.2	78%	0.782	72%	0.72	S	S	*	*			trans	-83.1	92.4	168.4	-88.2	-80.1	0	0	0	108.9	K67	K67-H69 PolarHBondContact O-N 2.72Å
70	Q	32.9	Very low	38.9	Very low	175 Å²	175	147.2 Å²	147.2	82%	0.818	74%	0.742	S	S	*	*			trans	24.7	104	142.7	-67.1	171	-42.3	0	0	117	P68	P68-Q70 PolarHBondContact O-N 3.41Å
71	Q	29.3	Very low	38.3	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	74%	0.744	S	S	*	*			trans	-5.2	121.9	155.8	-72.3	166.1	-46.7	0	0	117.5	V73	Q71-V73 PolarHBondContact O-N 2.81Å
72	P	34.1	Very low	38.5	Very low	129 Å²	129	145 Å²	145	84%	0.838	74%	0.736	S	S	*	*			trans	-75.7	102.4	142.2	3.4	15.6	0	0	0	107.5	E74	P72-E74 PolarHBondContact O-N 3.01Å
73	V	34.1	Very low	39	Very low	127 Å²	127	145.1 Å²	145.1	77%	0.77	75%	0.745	S	S	*	*			trans	-59.1	114.5	159.4	172.6	0	0	0	0	106.4	Q71	Q71-V73 PolarHBondContact O-N 2.81Å
74	E	29.5	Very low	39.6	Very low	141 Å²	141	146.5 Å²	146.5	66%	0.659	75%	0.747	S	S	*	*				167.9	99.6	127.3	-164.7	151.8	-160.1	0	0	111.7	P72	P72-E74 PolarHBondContact O-N 3.01Å
75	K	31.2	Very low	40	Very low	171 Å²	171	148.2 Å²	148.2	74%	0.743	75%	0.75	S	S	*	*			trans	57.2	91.4	144.2	-58.3	166.2	-168.9	160.9	0	118.2
76	L	32	Very low	41.4	Very low	164 Å²	164	144.9 Å²	144.9	86%	0.859	75%	0.746	S	S	*	*	S	Bend	trans	-160.3	116.8	132	-147.1	66.1	0	0	0	111.8
77	S	34.7	Very low	43.3	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	75%	0.746	S	S	*	*			trans	46.2	68.7	160.3	64.7	0	0	0	0	116.4	Q79	S77-Q79 PolarHBondContact O-N 2.8Å
78	V	40.1	Very low	45.1	Very low	121 Å²	121	141.2 Å²	141.2	73%	0.733	75%	0.747	S	S	*	*			trans	-66.5	93.5	152.1	-172.2	0	0	0	0	105.4	Q80	V78-Q80 HydrophobicContact CB-CG 4.02Å; V78-Q80 HydrophobicContact CG1-CB 4.38Å; V78-Q80 HydrophobicContact CG1-CG 3.37Å; V78-Q80 PolarHBondContact O-N 2.9Å
79	Q	40.4	Very low	46.9	Very low	156 Å²	156	140.4 Å²	140.4	73%	0.729	74%	0.74	S	S	*	*			trans	-61.2	82.2	158.9	-177.3	-171.6	-39.8	0	0	105.4	S77 D81	S77-Q79 PolarHBondContact O-N 2.8Å; Q79-D81 VanDerWaalsContact C-N 3.34Å; Q79-D81 PolarHBondContact NE2-OD1 3.15Å; Q79-D81 PolarHBondContact O-N 2.85Å
80	Q	43.3	Very low	48.7	Very low	129 Å²	129	138.8 Å²	138.8	60%	0.603	74%	0.736	S	S	*	*			trans	-71.4	99.7	175.1	-60.8	172.9	-57.9	0	0	105.4	V78 Y82	V78-Q80 HydrophobicContact CB-CG 4.02Å; V78-Q80 HydrophobicContact CG1-CB 4.38Å; V78-Q80 HydrophobicContact CG1-CG 3.37Å; V78-Q80 PolarHBondContact O-N 2.9Å; Q80-Y82 HydrophobicContact CB-CD1 3.42Å; Q80-Y82 VanDerWaalsContact CB-CD1 3.42Å; Q80-Y82 HydrophobicContact CB-CE1 3.62Å; Q80-Y82 WeakPolarHBondContact O-CD1 3.45Å; Q80-Y82 PolarHBondContact O-N 3.35Å
81	D	42.7	Very low	50.4	Low	137 Å²	137	139.1 Å²	139.1	73%	0.733	74%	0.735	S	S	*	*			trans	-68.9	67.9	169.9	-62.9	-36.3	0	0	0	108.6	Q79	Q79-D81 VanDerWaalsContact C-N 3.34Å; Q79-D81 PolarHBondContact NE2-OD1 3.15Å; Q79-D81 PolarHBondContact O-N 2.85Å
82	Y	57.5	Low	52.4	Low	158 Å²	158	137 Å²	137	62%	0.62	73%	0.733	S	S	*	*			trans	-95.2	125.7	169.2	55.8	-95.7	0	0	0	110.2	Q80 I84	Q80-Y82 HydrophobicContact CB-CD1 3.42Å; Q80-Y82 VanDerWaalsContact CB-CD1 3.42Å; Q80-Y82 HydrophobicContact CB-CE1 3.62Å; Q80-Y82 WeakPolarHBondContact O-CD1 3.45Å; Q80-Y82 PolarHBondContact O-N 3.35Å; Y82-I84 HydrophobicContact CD2-CG1 4Å; Y82-I84 HydrophobicContact CE2-CD1 4.44Å; Y82-I84 HydrophobicContact CE2-CG1 4.05Å; Y82-I84 PolarHBondContact O-N 3.11Å
83	V	57.2	Low	54.1	Low	124 Å²	124	141 Å²	141	75%	0.752	76%	0.755	S	S	*	*			trans	-76.5	116	168.5	-176.4	0	0	0	0	107	L85	V83-L85 HydrophobicContact CB-CD1 4.43Å; V83-L85 HydrophobicContact CG1-CD1 4.3Å; V83-L85 WeakPolarHBondContact O-CD1 3.35Å; V83-L85 PolarHBondContact O-N 3.21Å; V83-L85 VanDerWaalsContact O-N 3.11Å
84	I	59.8	Low	55.1	Low	140 Å²	140	141.7 Å²	141.7	72%	0.718	76%	0.755	S	S	*	*			trans	-69.4	104.4	172	-60	170.8	0	0	0	107	Y82	Y82-I84 HydrophobicContact CD2-CG1 4Å; Y82-I84 HydrophobicContact CE2-CD1 4.44Å; Y82-I84 HydrophobicContact CE2-CG1 4.05Å; Y82-I84 PolarHBondContact O-N 3.11Å
85	L	52.9	Low	56.5	Low	139 Å²	139	141.7 Å²	141.7	73%	0.728	76%	0.76	S	S	*	*			trans	-76.6	126.2	170.4	-85.5	77.9	0	0	0	108.7	V83 T87	V83-L85 HydrophobicContact CB-CD1 4.43Å; V83-L85 HydrophobicContact CG1-CD1 4.3Å; V83-L85 WeakPolarHBondContact O-CD1 3.35Å; V83-L85 PolarHBondContact O-N 3.21Å; V83-L85 VanDerWaalsContact O-N 3.11Å; L85-T87 PolarHBondContact O-N 3.2Å
86	P	67.2	Low	57.9	Low	108 Å²	108	140.1 Å²	140.1	70%	0.701	76%	0.76	S	S	*	*			trans	-69.2	124.5	176.5	26.7	-31.6	0	0	0	110.4	I88	P86-I88 PolarHBondContact O-N 3.36Å; P86-I88 VanDerWaalsContact O-N 3.15Å
87	T	78.6	Confident	59.4	Low	135 Å²	135	138.7 Å²	138.7	83%	0.828	76%	0.755	S	S	*	*			trans	-69.8	104.3	167.2	-50	0	0	0	0	108.3	L85	L85-T87 PolarHBondContact O-N 3.2Å
88	I	72.9	Confident	60.9	Low	135 Å²	135	140.8 Å²	140.8	69%	0.692	76%	0.756	S	S	*	*			trans	-88.9	124.2	170.8	54	165.8	0	0	0	109.8	P86	P86-I88 PolarHBondContact O-N 3.36Å; P86-I88 VanDerWaalsContact O-N 3.15Å
89	T	76.9	Confident	62.3	Low	110 Å²	110	142.1 Å²	142.1	68%	0.675	76%	0.757	S	S	*	*			trans	-91.4	110	173.3	-41.6	0	0	0	0	108	F91	T89-F91 HydrophobicContact CG2-CD2 4.44Å; T89-F91 HydrophobicContact CG2-CE2 4.08Å; T89-F91 PolarHBondContact O-N 3.44Å
90	I	74.5	Confident	63.9	Low	136 Å²	136	141.1 Å²	141.1	70%	0.697	76%	0.759	S	S	*	*			trans	-84.8	111.1	176.5	-56.6	175.8	0	0	0	107.8
91	F	68.9	Low	65.5	Low	182 Å²	182	142.1 Å²	142.1	80%	0.798	77%	0.772	S	S	*	*			trans	-85.7	111.2	167.4	-79.6	-90	0	0	0	108.7	T89	T89-F91 HydrophobicContact CG2-CD2 4.44Å; T89-F91 HydrophobicContact CG2-CE2 4.08Å; T89-F91 PolarHBondContact O-N 3.44Å
92	T	72.1	Confident	67.4	Low	129 Å²	129	142.5 Å²	142.5	79%	0.791	78%	0.775	S	S	*	*			trans	-86.9	120.5	164.4	43.3	0	0	0	0	108.8
93	V	70.1	Confident	68.3	Low	214 Å²	214	141.1 Å²	141.1	100%	1.297	79%	0.789	S	S	*	*			trans	-72.5	0	172.3	177.6	0	0	0	0	110.3

Retrieved 93 of 93 residues in 275.9 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).