A0A077Z6X8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6X8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 97 aa.

						>A0A077Z6X8_TRITR|A0A077Z6X8
MFKETFHLENHEILLRRRDAGIEFVNCLHYSILIASRKDNNELKQFFSSNRWVNFNALRKSLRLGDCIVASGGASSRTLHLTATVAFVAAIVIKYGY
					

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	28.2	Very low	27.2	Very low	205 Å²	205	159 Å²	159	100%	1.01	76%	0.764	S	S	*	*				0	115.6	0	-163.9	177.7	-170.4	0	0	108.1
2	F	24.8	Very low	27.2	Very low	173 Å²	173	161.3 Å²	161.3	76%	0.759	77%	0.773	S	S	*	*			trans	-48.9	139.3	-163.8	-98.7	-108.4	0	0	0	114.4	R17	F2-R17 PolarHBondContact O-NH1 2.81Å; F2-R17 PolarHBondContact O-NH2 3.07Å
3	K	27.5	Very low	27.9	Very low	164 Å²	164	155.5 Å²	155.5	71%	0.713	75%	0.747	S	S	*	*			trans	-137.3	87	175.9	-162.9	-175	-176	-167.6	0	105.9
4	E	25.4	Very low	28.1	Very low	150 Å²	150	153.3 Å²	153.3	70%	0.701	74%	0.74	S	S	*	*			trans	-84.8	132.6	168.4	-86.2	177.5	150	0	0	108.8	F6	E4-F6 HydrophobicContact CB-CE2 4.37Å
5	T	27.3	Very low	28.6	Very low	99 Å²	99	149.6 Å²	149.6	61%	0.607	73%	0.725	S	S	*	*			trans	-105.1	121.6	-177.9	-50.6	0	0	0	0	107.5
6	F	24.7	Very low	28.7	Very low	178 Å²	178	153.3 Å²	153.3	78%	0.781	73%	0.729	S	S	*	*			trans	-106	123.9	168.5	-73	-86.4	0	0	0	108.9	E4	E4-F6 HydrophobicContact CB-CE2 4.37Å
7	H	25.8	Very low	28.9	Very low	162 Å²	162	153.6 Å²	153.6	75%	0.75	72%	0.722	S	S	*	*			trans	-91.9	103.9	176.2	-71	-81.1	0	0	0	109.4
8	L	27.4	Very low	28.9	Very low	156 Å²	156	157.2 Å²	157.2	82%	0.817	73%	0.727	S	S	*	*			trans	-94.3	126.4	156.9	-92.1	141.2	0	0	0	107	N10	L8-N10 PolarHBondContact O-N 2.83Å
9	E	25.8	Very low	28.9	Very low	180 Å²	180	157.4 Å²	157.4	84%	0.841	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-28.7	111.8	-174.7	-63.8	174.4	153.5	0	0	114.2	H11	E9-H11 PolarHBondContact O-N 2.9Å; E9-H11 PolarHBondContact O-ND1 2.75Å
10	N	30.9	Very low	29	Very low	161 Å²	161	152.8 Å²	152.8	86%	0.861	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	65	15.1	162.9	-62.9	-27.1	0	0	0	120.2	L8	L8-N10 PolarHBondContact O-N 2.83Å
11	H	31.5	Very low	29	Very low	121 Å²	121	149.7 Å²	149.7	56%	0.56	73%	0.733	S	S	*	*			trans	-133.2	91.2	173.7	-64.4	76.9	0	0	0	112.6	E9 I13	E9-H11 PolarHBondContact O-N 2.9Å; E9-H11 PolarHBondContact O-ND1 2.75Å; H11-I13 PolarHBondContact O-N 3.05Å
12	E	27.7	Very low	29.5	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	70%	0.698	S	S	*	*			trans	-64.6	101.6	169.2	-75.1	-173.2	141	0	0	110.6	L14	E12-L14 PolarHBondContact O-N 3.36Å
13	I	35.2	Very low	30.2	Very low	86 Å²	86	140.9 Å²	140.9	44%	0.441	69%	0.693	S	S	.	*			trans	-91.6	91.3	165.6	-53.1	177	0	0	0	108.3	H11 L15 I32 I34	H11-I13 PolarHBondContact O-N 3.05Å; I13-L15 HydrophobicContact CG2-CB 4.43Å; I13-L15 HydrophobicContact CG2-CD1 3.89Å; I13-L15 HydrophobicContact CG2-CG 3.85Å; I13-L15 PolarHBondContact O-N 2.8Å; I13-I32 HydrophobicContact CD1-CD1 4.42Å; I13-I32 HydrophobicContact CD1-CG2 3.97Å; I13-I34 HydrophobicContact CD1-CD1 3.32Å; I13-I34 HydrophobicContact CD1-CG1 4.06Å; I13-I34 HydrophobicContact CG1-CD1 3.89Å
14	L	31.9	Very low	31.4	Very low	124 Å²	124	135.2 Å²	135.2	65%	0.649	67%	0.668	S	S	*	*			trans	-77.7	70.5	167.9	-157.5	98.9	0	0	0	109.6	E12 R16	E12-L14 PolarHBondContact O-N 3.36Å; L14-R16 HydrophobicContact CD2-CG 3.93Å; L14-R16 PolarHBondContact O-N 3.28Å
15	L	35.1	Very low	32.4	Very low	98 Å²	98	133.4 Å²	133.4	51%	0.513	67%	0.667	S	S	.	*			trans	-68.2	91.5	162.5	-88.9	159	0	0	0	106.9	I13 R17	I13-L15 HydrophobicContact CG2-CB 4.43Å; I13-L15 HydrophobicContact CG2-CD1 3.89Å; I13-L15 HydrophobicContact CG2-CG 3.85Å; I13-L15 PolarHBondContact O-N 2.8Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 3.11Å
16	R	30.6	Very low	33.5	Very low	209 Å²	209	134.1 Å²	134.1	79%	0.789	67%	0.668	S	S	*	*			trans	-57.9	98.6	167.5	-89.9	-173.2	171.3	-174.1	-1.6	108.2	L14 R18	L14-R16 HydrophobicContact CD2-CG 3.93Å; L14-R16 PolarHBondContact O-N 3.28Å; R16-R18 PolarHBondContact O-N 3.41Å
17	R	32.4	Very low	34.8	Very low	159 Å²	159	126.4 Å²	126.4	60%	0.6	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-5.2	114.3	137.8	-97.5	175.2	167.7	167.9	1.6	111.4	F2 L15	F2-R17 PolarHBondContact O-NH1 2.81Å; F2-R17 PolarHBondContact O-NH2 3.07Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 3.11Å
18	R	28.1	Very low	36.1	Very low	217 Å²	217	124.2 Å²	124.2	82%	0.819	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	106.8	-9.5	152.7	-70.2	-174	170.7	175.7	-3.9	122.2	R16	R16-R18 PolarHBondContact O-N 3.41Å
19	D	28.6	Very low	37.3	Very low	162 Å²	162	122.1 Å²	122.1	87%	0.866	61%	0.614	S	S	*	*	S	Bend	trans	-107.4	0	-178.9	-67.8	-35.9	0	0	0	116.2
20	A	31.4	Very low	38.5	Very low	65 Å²	65	119.7 Å²	119.7	54%	0.537	60%	0.598	S	S	.	*	S	Bend	trans	-131	109.4	161.2	0	0	0	0	0	107.1	I22	A20-I22 PolarHBondContact O-N 3.02Å
21	G	27.7	Very low	39.4	Very low	88 Å²	88	114.8 Å²	114.8	91%	0.907	58%	0.577	S	S	*	*			trans	-67.9	55.9	-174.3	0	0	0	0	0	114.3
22	I	39.6	Very low	40.4	Very low	54 Å²	54	113.4 Å²	113.4	28%	0.277	57%	0.573	S	S	.	*			trans	-108.6	88	177.5	-55	176.4	0	0	0	107.2	A20 F24 A90 V92	A20-I22 PolarHBondContact O-N 3.02Å; I22-F24 HydrophobicContact CB-CD2 4.49Å; I22-F24 HydrophobicContact CB-CE2 3.98Å; I22-F24 HydrophobicContact CB-CZ 4.04Å; I22-F24 HydrophobicContact CG2-CD1 3.87Å; I22-F24 HydrophobicContact CG2-CD2 4.03Å; I22-F24 HydrophobicContact CG2-CE1 3.53Å; I22-F24 HydrophobicContact CG2-CE2 3.69Å; I22-F24 HydrophobicContact CG2-CG 4.11Å; I22-F24 HydrophobicContact CG2-CZ 3.43Å; I22-F24 VanDerWaalsContact CG2-CZ 3.43Å; I22-F24 VanDerWaalsContact O-CD2 3.22Å; I22-F24 WeakPolarHBondContact O-CD2 3.44Å; I22-F24 PolarHBondContact O-N 3.4Å; I22-A90 HydrophobicContact CD1-CB 3.31Å; I22-A90 HydrophobicContact CG2-CB 4.3Å; I22-V92 HydrophobicContact CG2-CG2 3.37Å
23	E	40.7	Very low	41.4	Very low	138 Å²	138	107.7 Å²	107.7	65%	0.645	55%	0.548	S	S	*	.			trans	-66.6	98.6	163.9	-77.7	-175.3	162.2	0	0	108.9	V25	E23-V25 HydrophobicContact CB-CG2 3.98Å; E23-V25 HydrophobicContact CG-CG2 4.36Å; E23-V25 PolarHBondContact O-N 3.07Å; E23-V25 VanDerWaalsContact O-N 3.11Å
24	F	51.6	Low	42.1	Very low	45 Å²	45	107.5 Å²	107.5	20%	0.197	55%	0.546	C	S	.	.			trans	-76.4	22.2	171.3	-62.3	-81	0	0	0	113.2	I22 N26 C27 Y30 C67 V69 A90 V92	I22-F24 HydrophobicContact CB-CD2 4.49Å; I22-F24 HydrophobicContact CB-CE2 3.98Å; I22-F24 HydrophobicContact CB-CZ 4.04Å; I22-F24 HydrophobicContact CG2-CD1 3.87Å; I22-F24 HydrophobicContact CG2-CD2 4.03Å; I22-F24 HydrophobicContact CG2-CE1 3.53Å; I22-F24 HydrophobicContact CG2-CE2 3.69Å; I22-F24 HydrophobicContact CG2-CG 4.11Å; I22-F24 HydrophobicContact CG2-CZ 3.43Å; I22-F24 VanDerWaalsContact CG2-CZ 3.43Å; I22-F24 VanDerWaalsContact O-CD2 3.22Å; I22-F24 WeakPolarHBondContact O-CD2 3.44Å; I22-F24 PolarHBondContact O-N 3.4Å; F24-N26 PolarHBondContact O-N 2.78Å; F24-N26 VanDerWaalsContact O-N 3.07Å; F24-C27 PolarHBondContact O-N 3.28Å; F24-C27 PolarHBondContact O-SG 3.41Å; F24-Y30 HydrophobicContact CB-CE1 3.88Å; F24-Y30 HydrophobicContact CG-CE1 4.41Å; F24-Y30 PolarHBondContact O-OH 2.9Å; F24-C67 HydrophobicContact CD1-CB 3.79Å; F24-C67 HydrophobicContact CE1-CB 4.18Å; F24-V69 HydrophobicContact CE1-CG2 3.67Å; F24-V69 HydrophobicContact CE2-CG2 4.21Å; F24-V69 HydrophobicContact CZ-CG2 3.43Å; F24-V69 VanDerWaalsContact CZ-CG2 3.43Å; F24-A90 HydrophobicContact CE1-CB 3.83Å; F24-A90 HydrophobicContact CZ-CB 3.43Å; F24-A90 VanDerWaalsContact CZ-CB 3.43Å; F24-V92 HydrophobicContact CD1-CG2 4.06Å; F24-V92 HydrophobicContact CE1-CG2 4.19Å
25	V	46.5	Very low	42.6	Very low	112 Å²	112	103 Å²	103	68%	0.679	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.2	-167.3	-177.1	0	0	0	0	112.5	E23	E23-V25 HydrophobicContact CB-CG2 3.98Å; E23-V25 HydrophobicContact CG-CG2 4.36Å; E23-V25 PolarHBondContact O-N 3.07Å; E23-V25 VanDerWaalsContact O-N 3.11Å
26	N	49.8	Very low	42.8	Very low	115 Å²	115	100.9 Å²	100.9	62%	0.615	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	24.3	-176.3	-64.2	-11.6	0	0	0	114	F24	F24-N26 PolarHBondContact O-N 2.78Å; F24-N26 VanDerWaalsContact O-N 3.07Å
27	C	51.9	Low	43.4	Very low	15 Å²	15	97.5 Å²	97.5	10%	0.101	51%	0.508	C	S	.	.			trans	-83.4	125.7	178.3	-48.2	0	0	0	0	110.6	F24 Y30 G65 C67	F24-C27 PolarHBondContact O-N 3.28Å; F24-C27 PolarHBondContact O-SG 3.41Å; C27-Y30 HydrophobicContact CB-CD1 4.21Å; C27-Y30 HydrophobicContact CB-CD2 4.36Å; C27-Y30 HydrophobicContact CB-CE1 3.67Å; C27-Y30 HydrophobicContact CB-CE2 3.82Å; C27-Y30 VanDerWaalsContact CB-CZ 3.44Å; C27-G65 CarbonylContact C-O 3.39Å; C27-G65 WeakPolarHBondContact CA-O 3.47Å; C27-C67 HydrophobicContact CB-CB 3.59Å; C27-C67 WeakPolarHBondContact CB-SG 3.19Å; C27-C67 WeakPolarHBondContact SG-CB 3.48Å; C27-C67 CovalentContact SG-SG 2Å; C27-C67 PolarHBondContact SG-SG 3.13Å
28	L	53.3	Low	43.9	Very low	116 Å²	116	99.2 Å²	99.2	61%	0.607	52%	0.52	S	S	*	.	S	Bend	trans	-78.6	-31.9	171.7	-66	175.1	0	0	0	111.4	G65	L28-G65 PolarHBondContact N-O 3.46Å
29	H	53.7	Low	44.5	Very low	112 Å²	112	92.6 Å²	92.6	52%	0.519	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.1	177.9	-48	98.8	0	0	0	111.2	D66 C67	H29-D66 WeakPolarHBondContact CB-OD1 3Å; H29-D66 IonicContact CE1-OD1 3.94Å; H29-D66 IonicContact CG-OD1 3.47Å; H29-D66 IonicContact ND1-OD1 2.81Å; H29-D66 PolarHBondContact ND1-OD1 2.98Å; H29-C67 PolarHBondContact O-N 3.11Å
30	Y	50.9	Low	45	Very low	130 Å²	130	87.2 Å²	87.2	51%	0.51	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125	177.3	-66.1	-91.3	0	0	0	109.9	F24 C27 C67	F24-Y30 HydrophobicContact CB-CE1 3.88Å; F24-Y30 HydrophobicContact CG-CE1 4.41Å; F24-Y30 PolarHBondContact O-OH 2.9Å; C27-Y30 HydrophobicContact CB-CD1 4.21Å; C27-Y30 HydrophobicContact CB-CD2 4.36Å; C27-Y30 HydrophobicContact CB-CE1 3.67Å; C27-Y30 HydrophobicContact CB-CE2 3.82Å; C27-Y30 VanDerWaalsContact CB-CZ 3.44Å; Y30-C67 HydrophobicContact CD1-CB 4.29Å
31	S	48.9	Very low	45.4	Very low	58 Å²	58	89.8 Å²	89.8	41%	0.406	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.8	166.4	-65.4	0	0	0	0	109.2	C67 I68 V69	S31-C67 PolarHBondContact N-O 3.4Å; S31-I68 WeakPolarHBondContact O-CA 3.47Å; S31-V69 PolarHBondContact O-N 2Å
32	I	52.8	Low	45.9	Very low	92 Å²	92	92.1 Å²	92.1	47%	0.472	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.6	177.4	-50.9	179.6	0	0	0	107.7	I13 I34 V69	I13-I32 HydrophobicContact CD1-CD1 4.42Å; I13-I32 HydrophobicContact CD1-CG2 3.97Å; I32-I34 HydrophobicContact CG2-CD1 4.13Å; I32-I34 HydrophobicContact CG2-CG1 3.6Å; I32-V69 WeakPolarHBondContact CA-O 3.35Å
33	L	48.5	Very low	45.7	Very low	67 Å²	67	89.9 Å²	89.9	35%	0.351	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	97.2	173.9	-61.2	175.9	0	0	0	107.8	F46 L58 V69 A70 S71	L33-F46 HydrophobicContact CD1-CE2 4.27Å; L33-F46 HydrophobicContact CD1-CZ 3.79Å; L33-L58 HydrophobicContact CD1-CD2 3.97Å; L33-V69 PolarHBondContact N-O 2.98Å; L33-A70 HydrophobicContact CB-CB 4.35Å; L33-S71 PolarHBondContact O-N 3.05Å
34	I	49.6	Very low	45.6	Very low	81 Å²	81	90 Å²	90	42%	0.415	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130	171.9	-45.5	173.2	0	0	0	106.8	I13 I32	I13-I34 HydrophobicContact CD1-CD1 3.32Å; I13-I34 HydrophobicContact CD1-CG1 4.06Å; I13-I34 HydrophobicContact CG1-CD1 3.89Å; I32-I34 HydrophobicContact CG2-CD1 4.13Å; I32-I34 HydrophobicContact CG2-CG1 3.6Å
35	A	43.7	Very low	44.9	Very low	31 Å²	31	94.8 Å²	94.8	26%	0.256	47%	0.474	S	S	.	.			trans	-110.8	119.4	-178.3	0	0	0	0	0	110.8	L43	A35-L43 HydrophobicContact CB-CD1 3.28Å; A35-L43 HydrophobicContact CB-CD2 2.96Å; A35-L43 HydrophobicContact CB-CG 3.23Å
36	S	39.2	Very low	44.6	Very low	53 Å²	53	93.3 Å²	93.3	37%	0.371	46%	0.458	S	S	.	.			trans	-70.3	143	-176.3	170.1	0	0	0	0	111.2	K38 D39	S36-K38 PolarHBondContact O-N 2.76Å; S36-K38 PolarHBondContact OG-N 3.34Å; S36-D39 PolarHBondContact O-N 2.75Å
37	R	42.4	Very low	44.2	Very low	138 Å²	138	91.7 Å²	91.7	52%	0.521	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-19	178.9	-152.3	-177.3	-167.3	-165.8	7.5	113.5	N40 H80	R37-N40 PolarHBondContact O-ND2 3.43Å; R37-N40 VanDerWaalsContact O-ND2 3.13Å; R37-H80 PolarHBondContact NH2-CD2 2.76Å; R37-H80 PolarHBondContact NH2-NE2 2.81Å
38	K	42	Very low	44	Very low	195 Å²	195	93.1 Å²	93.1	85%	0.848	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-22.8	178.4	-77.5	-175.7	175	179.6	0	113.3	S36 N40	S36-K38 PolarHBondContact O-N 2.76Å; S36-K38 PolarHBondContact OG-N 3.34Å; K38-N40 VanDerWaalsContact C-N 3.32Å; K38-N40 PolarHBondContact O-N 3.15Å
39	D	41.5	Very low	43.8	Very low	78 Å²	78	93.2 Å²	93.2	42%	0.417	47%	0.467	S	S	.	.			trans	-101.7	33.9	-179.7	-55.9	-44.6	0	0	0	111.5	S36 N41 E42 L43	S36-D39 PolarHBondContact O-N 2.75Å; D39-N41 PolarHBondContact O-N 2.92Å; D39-E42 HydrophobicContact CB-CB 4.32Å; D39-E42 PolarHBondContact O-N 3.19Å; D39-L43 WeakPolarHBondContact O-CB 3.48Å; D39-L43 PolarHBondContact O-N 3.38Å
40	N	39	Very low	43.7	Very low	48 Å²	48	91.9 Å²	91.9	26%	0.257	46%	0.463	S	S	.	.	H	α-helix	trans	-54.8	-19.5	177.4	-91.3	-25.1	0	0	0	113.3	R37 K38 K44	R37-N40 PolarHBondContact O-ND2 3.43Å; R37-N40 VanDerWaalsContact O-ND2 3.13Å; K38-N40 VanDerWaalsContact C-N 3.32Å; K38-N40 PolarHBondContact O-N 3.15Å; N40-K44 VanDerWaalsContact O-CB 3.28Å; N40-K44 WeakPolarHBondContact O-CB 3.43Å; N40-K44 WeakPolarHBondContact O-CD 3.19Å; N40-K44 WeakPolarHBondContact O-CG 3.34Å; N40-K44 PolarHBondContact O-N 3.46Å
41	N	40.7	Very low	43.4	Very low	120 Å²	120	88.5 Å²	88.5	64%	0.642	45%	0.45	S	S	*	.	H	α-helix	trans	-83.1	-37.6	174	-80.4	-8.2	0	0	0	113.1	D39 L43 K44 Q45	D39-N41 PolarHBondContact O-N 2.92Å; N41-L43 VanDerWaalsContact C-N 3.33Å; N41-K44 PolarHBondContact O-N 3.24Å; N41-Q45 PolarHBondContact O-N 2.9Å
42	E	37.1	Very low	43.5	Very low	136 Å²	136	92.8 Å²	92.8	64%	0.636	46%	0.457	S	S	*	.	H	α-helix	trans	-71.6	-33.7	171.7	-64.2	-171.5	164.7	0	0	110.8	D39 Q45 F46	D39-E42 HydrophobicContact CB-CB 4.32Å; D39-E42 PolarHBondContact O-N 3.19Å; E42-Q45 WeakPolarHBondContact O-CB 3.47Å; E42-Q45 PolarHBondContact O-N 3.31Å; E42-F46 WeakPolarHBondContact O-CB 3.41Å; E42-F46 PolarHBondContact O-N 3.06Å
43	L	36.8	Very low	43.6	Very low	8 Å²	8	92.4 Å²	92.4	4%	0.042	46%	0.459	C	S	.	.	H	α-helix	trans	-65.6	-42.5	169.7	-92.3	165	0	0	0	113.7	A35 D39 N41 Q45 F46 F47	A35-L43 HydrophobicContact CB-CD1 3.28Å; A35-L43 HydrophobicContact CB-CD2 2.96Å; A35-L43 HydrophobicContact CB-CG 3.23Å; D39-L43 WeakPolarHBondContact O-CB 3.48Å; D39-L43 PolarHBondContact O-N 3.38Å; N41-L43 VanDerWaalsContact C-N 3.33Å; L43-Q45 PolarHBondContact O-N 3.26Å; L43-F46 HydrophobicContact CD2-CB 4.44Å; L43-F46 CarbonylContact O-C 3.57Å; L43-F46 WeakPolarHBondContact O-CA 3.35Å; L43-F46 VanDerWaalsContact O-CB 3.31Å; L43-F46 WeakPolarHBondContact O-CB 2.97Å; L43-F46 PolarHBondContact O-N 2.88Å; L43-F47 HydrophobicContact CB-CD2 4.08Å; L43-F47 HydrophobicContact CB-CE2 3.82Å; L43-F47 HydrophobicContact CD2-CD2 4Å; L43-F47 HydrophobicContact CD2-CE1 4.46Å; L43-F47 HydrophobicContact CD2-CE2 3.15Å; L43-F47 HydrophobicContact CD2-CZ 3.41Å; L43-F47 VanDerWaalsContact CD2-CZ 3.41Å; L43-F47 HydrophobicContact CG-CE2 4.02Å; L43-F47 WeakPolarHBondContact O-CB 3.2Å; L43-F47 WeakPolarHBondContact O-CD2 3.1Å; L43-F47 VanDerWaalsContact O-CG 3.28Å; L43-F47 WeakPolarHBondContact O-CG 3.4Å; L43-F47 PolarHBondContact O-N 2.97Å
44	K	37.5	Very low	43.8	Very low	139 Å²	139	92.9 Å²	92.9	60%	0.604	46%	0.462	S	S	*	.	H	α-helix	trans	-60	-34.7	173.5	-86.9	172.2	179	-178.4	0	111.7	N40 N41 F47 S48	N40-K44 VanDerWaalsContact O-CB 3.28Å; N40-K44 WeakPolarHBondContact O-CB 3.43Å; N40-K44 WeakPolarHBondContact O-CD 3.19Å; N40-K44 WeakPolarHBondContact O-CG 3.34Å; N40-K44 PolarHBondContact O-N 3.46Å; N41-K44 PolarHBondContact O-N 3.24Å; K44-F47 PolarHBondContact O-N 2.75Å; K44-S48 PolarHBondContact O-N 2.86Å
45	Q	37.3	Very low	44.1	Very low	146 Å²	146	90.6 Å²	90.6	68%	0.682	45%	0.449	S	S	*	.	H	α-helix	trans	-70	-39.2	170.7	-71.2	-177.7	-7.5	0	0	111.8	N41 E42 L43 F47 S48	N41-Q45 PolarHBondContact O-N 2.9Å; E42-Q45 WeakPolarHBondContact O-CB 3.47Å; E42-Q45 PolarHBondContact O-N 3.31Å; L43-Q45 PolarHBondContact O-N 3.26Å; Q45-F47 VanDerWaalsContact C-N 3.26Å; Q45-F47 PolarHBondContact O-N 3.3Å; Q45-S48 PolarHBondContact O-N 3.3Å; Q45-S48 PolarHBondContact O-OG 2.8Å
46	F	39.4	Very low	44.8	Very low	81 Å²	81	92.1 Å²	92.1	36%	0.355	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-26.4	172.8	-158.1	-94.8	0	0	0	113.5	L33 E42 L43	L33-F46 HydrophobicContact CD1-CE2 4.27Å; L33-F46 HydrophobicContact CD1-CZ 3.79Å; E42-F46 WeakPolarHBondContact O-CB 3.41Å; E42-F46 PolarHBondContact O-N 3.06Å; L43-F46 HydrophobicContact CD2-CB 4.44Å; L43-F46 CarbonylContact O-C 3.57Å; L43-F46 WeakPolarHBondContact O-CA 3.35Å; L43-F46 VanDerWaalsContact O-CB 3.31Å; L43-F46 WeakPolarHBondContact O-CB 2.97Å; L43-F46 PolarHBondContact O-N 2.88Å
47	F	42.3	Very low	46	Very low	81 Å²	81	92.1 Å²	92.1	36%	0.355	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	3.6	-178.5	-66.4	-54.1	0	0	0	115.4	L43 K44 Q45	L43-F47 HydrophobicContact CB-CD2 4.08Å; L43-F47 HydrophobicContact CB-CE2 3.82Å; L43-F47 HydrophobicContact CD2-CD2 4Å; L43-F47 HydrophobicContact CD2-CE1 4.46Å; L43-F47 HydrophobicContact CD2-CE2 3.15Å; L43-F47 HydrophobicContact CD2-CZ 3.41Å; L43-F47 VanDerWaalsContact CD2-CZ 3.41Å; L43-F47 HydrophobicContact CG-CE2 4.02Å; L43-F47 WeakPolarHBondContact O-CB 3.2Å; L43-F47 WeakPolarHBondContact O-CD2 3.1Å; L43-F47 VanDerWaalsContact O-CG 3.28Å; L43-F47 WeakPolarHBondContact O-CG 3.4Å; L43-F47 PolarHBondContact O-N 2.97Å; K44-F47 PolarHBondContact O-N 2.75Å; Q45-F47 VanDerWaalsContact C-N 3.26Å; Q45-F47 PolarHBondContact O-N 3.3Å
48	S	47.2	Very low	46.8	Very low	46 Å²	46	88.3 Å²	88.3	32%	0.322	45%	0.445	S	S	.	.	S	Bend	trans	-66.5	169.4	172.1	63.8	0	0	0	0	111.3	K44 Q45 N50 R51	K44-S48 PolarHBondContact O-N 2.86Å; Q45-S48 PolarHBondContact O-N 3.3Å; Q45-S48 PolarHBondContact O-OG 2.8Å; S48-N50 PolarHBondContact O-N 3.02Å; S48-R51 VanDerWaalsContact O-CB 3.25Å; S48-R51 WeakPolarHBondContact O-CB 3.38Å; S48-R51 PolarHBondContact O-N 3.4Å
49	S	48.3	Very low	47.7	Very low	117 Å²	117	85.4 Å²	85.4	82%	0.818	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-18.7	174.8	40.2	0	0	0	0	114	R51	S49-R51 PolarHBondContact O-N 2.81Å
50	N	52.4	Low	48.9	Very low	84 Å²	84	90.4 Å²	90.4	45%	0.449	45%	0.447	S	S	.	.	H	α-helix	trans	-63.4	-9.2	166.4	-86.9	-18	0	0	0	114.6	S48 W52 V53 N54	S48-N50 PolarHBondContact O-N 3.02Å; N50-W52 PolarHBondContact O-N 3Å; N50-V53 CarbonylContact O-C 3.42Å; N50-V53 WeakPolarHBondContact O-CA 3.24Å; N50-V53 WeakPolarHBondContact O-CB 3.42Å; N50-V53 PolarHBondContact O-N 2.89Å; N50-N54 WeakPolarHBondContact O-CB 3.01Å; N50-N54 PolarHBondContact O-N 3.03Å
51	R	44.3	Very low	50.3	Low	60 Å²	60	92 Å²	92	23%	0.226	46%	0.462	C	S	.	.	H	α-helix	trans	-55.7	-49.4	-179.5	-176	-171.1	-169.8	179.2	13.9	111.8	S48 S49 V53 F55 F87	S48-R51 VanDerWaalsContact O-CB 3.25Å; S48-R51 WeakPolarHBondContact O-CB 3.38Å; S48-R51 PolarHBondContact O-N 3.4Å; S49-R51 PolarHBondContact O-N 2.81Å; R51-V53 VanDerWaalsContact C-N 3.3Å; R51-F55 WeakPolarHBondContact O-CB 3.43Å; R51-F55 PolarHBondContact O-N 3.03Å; R51-F87 VanDerWaalsContact CZ-CD1 3.45Å; R51-F87 VanDerWaalsContact CZ-CE1 3.47Å
52	W	50.7	Low	51.3	Low	148 Å²	148	87.3 Å²	87.3	56%	0.561	44%	0.437	S	S	*	.	H	α-helix	trans	-70.1	-31.1	177.3	-72.8	111.8	0	0	0	111.5	N50 F55 N56 F87	N50-W52 PolarHBondContact O-N 3Å; W52-F55 HydrophobicContact CE3-CD1 4.05Å; W52-F55 HydrophobicContact CZ3-CD1 4.07Å; W52-F55 HydrophobicContact CZ3-CE1 4.12Å; W52-N56 WeakPolarHBondContact O-CA 3.22Å; W52-N56 WeakPolarHBondContact O-CB 3.49Å; W52-N56 PolarHBondContact O-N 3.44Å; W52-N56 PolarHBondContact O-ND2 3.43Å; W52-F87 HydrophobicContact CH2-CZ 4.47Å; W52-F87 HydrophobicContact CZ2-CZ 4.44Å
53	V	55.6	Low	52.6	Low	84 Å²	84	90 Å²	90	51%	0.509	44%	0.441	S	S	.	.	H	α-helix	trans	-67.5	-50.2	176.2	-179.9	0	0	0	0	111.1	N50 R51 N56 A57	N50-V53 CarbonylContact O-C 3.42Å; N50-V53 WeakPolarHBondContact O-CA 3.24Å; N50-V53 WeakPolarHBondContact O-CB 3.42Å; N50-V53 PolarHBondContact O-N 2.89Å; R51-V53 VanDerWaalsContact C-N 3.3Å; V53-N56 CarbonylContact O-C 3.54Å; V53-N56 PolarHBondContact O-N 2.86Å; V53-A57 WeakPolarHBondContact O-CB 3.46Å; V53-A57 PolarHBondContact O-N 2.96Å
54	N	53.3	Low	53.8	Low	76 Å²	76	94.1 Å²	94.1	41%	0.406	46%	0.463	S	S	.	.	H	α-helix	trans	-69.1	-41.1	179.1	-71.3	-16	0	0	0	111.5	N50 N56 A57 L58	N50-N54 WeakPolarHBondContact O-CB 3.01Å; N50-N54 PolarHBondContact O-N 3.03Å; N54-N56 VanDerWaalsContact C-N 3.34Å; N54-A57 PolarHBondContact O-N 3.34Å; N54-L58 WeakPolarHBondContact O-CB 3.47Å; N54-L58 PolarHBondContact O-N 2.72Å
55	F	55.8	Low	55	Low	33 Å²	33	87.8 Å²	87.8	15%	0.145	44%	0.437	C	S	.	.	H	α-helix	trans	-64.3	-39.6	172.3	-178.2	-104.9	0	0	0	111.5	R51 W52 R59 A89 I91	R51-F55 WeakPolarHBondContact O-CB 3.43Å; R51-F55 PolarHBondContact O-N 3.03Å; W52-F55 HydrophobicContact CE3-CD1 4.05Å; W52-F55 HydrophobicContact CZ3-CD1 4.07Å; W52-F55 HydrophobicContact CZ3-CE1 4.12Å; F55-R59 WeakPolarHBondContact O-CB 3.44Å; F55-R59 PolarHBondContact O-N 3.18Å; F55-A89 HydrophobicContact CE2-CB 3.94Å; F55-A89 HydrophobicContact CZ-CB 3.87Å; F55-I91 HydrophobicContact CD1-CD1 4.25Å; F55-I91 HydrophobicContact CE1-CD1 3.26Å; F55-I91 HydrophobicContact CE1-CG1 4.09Å; F55-I91 HydrophobicContact CE2-CD1 3.97Å; F55-I91 HydrophobicContact CE2-CG1 4.41Å; F55-I91 HydrophobicContact CZ-CD1 3.11Å; F55-I91 HydrophobicContact CZ-CG1 3.54Å
56	N	57.1	Low	55.9	Low	64 Å²	64	82 Å²	82	34%	0.342	41%	0.41	S	S	.	.	H	α-helix	trans	-68.6	-35.9	173.8	-76.5	-25.9	0	0	0	112.1	W52 V53 N54 K60	W52-N56 WeakPolarHBondContact O-CA 3.22Å; W52-N56 WeakPolarHBondContact O-CB 3.49Å; W52-N56 PolarHBondContact O-N 3.44Å; W52-N56 PolarHBondContact O-ND2 3.43Å; V53-N56 CarbonylContact O-C 3.54Å; V53-N56 PolarHBondContact O-N 2.86Å; N54-N56 VanDerWaalsContact C-N 3.34Å; N56-K60 WeakPolarHBondContact O-CB 2.88Å; N56-K60 WeakPolarHBondContact O-CG 3.28Å; N56-K60 PolarHBondContact O-N 3.03Å
57	A	64.6	Low	56.8	Low	52 Å²	52	78.1 Å²	78.1	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-65.5	-47.5	175	0	0	0	0	0	110.7	V53 N54 K60 S61	V53-A57 WeakPolarHBondContact O-CB 3.46Å; V53-A57 PolarHBondContact O-N 2.96Å; N54-A57 PolarHBondContact O-N 3.34Å; A57-K60 WeakPolarHBondContact O-CB 3Å; A57-K60 PolarHBondContact O-N 2.97Å; A57-K60 VanDerWaalsContact O-N 3.15Å; A57-S61 PolarHBondContact O-N 3.34Å
58	L	60.7	Low	57.4	Low	58 Å²	58	74.4 Å²	74.4	30%	0.304	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.6	-173.6	65.5	0	0	0	111.1	L33 N54 K60 S61 L62 I68	L33-L58 HydrophobicContact CD1-CD2 3.97Å; N54-L58 WeakPolarHBondContact O-CB 3.47Å; N54-L58 PolarHBondContact O-N 2.72Å; L58-K60 VanDerWaalsContact C-N 3.27Å; L58-K60 PolarHBondContact O-N 3.43Å; L58-S61 WeakPolarHBondContact CA-OG 3.39Å; L58-S61 PolarHBondContact O-N 2.78Å; L58-S61 PolarHBondContact O-OG 2.85Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 3.3Å; L58-L62 VanDerWaalsContact O-N 3.11Å; L58-I68 HydrophobicContact CD1-CD1 4.18Å; L58-I68 HydrophobicContact CD2-CD1 3.41Å; L58-I68 VanDerWaalsContact CD2-CD1 3.41Å; L58-I68 HydrophobicContact CD2-CG2 4.27Å; L58-I68 HydrophobicContact CG-CD1 3.37Å
59	R	61	Low	57.9	Low	135 Å²	135	72.9 Å²	72.9	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-57	-40	172.3	176.6	-173.6	179.6	-179	-1.9	112	F55 S61 L62 I91	F55-R59 WeakPolarHBondContact O-CB 3.44Å; F55-R59 PolarHBondContact O-N 3.18Å; R59-S61 VanDerWaalsContact C-N 3.31Å; R59-L62 WeakPolarHBondContact O-CB 3.37Å; R59-L62 PolarHBondContact O-N 2.87Å; R59-I91 HydrophobicContact CB-CD1 3.99Å; R59-I91 HydrophobicContact CG-CD1 3.72Å
60	K	66.8	Low	57.9	Low	183 Å²	183	67.8 Å²	67.8	80%	0.796	33%	0.331	S	S	*	.	H	α-helix	trans	-70.7	-26.5	177.2	-77.1	172.7	-180	-173.7	0	112.6	N56 A57 L58	N56-K60 WeakPolarHBondContact O-CB 2.88Å; N56-K60 WeakPolarHBondContact O-CG 3.28Å; N56-K60 PolarHBondContact O-N 3.03Å; A57-K60 WeakPolarHBondContact O-CB 3Å; A57-K60 PolarHBondContact O-N 2.97Å; A57-K60 VanDerWaalsContact O-N 3.15Å; L58-K60 VanDerWaalsContact C-N 3.27Å; L58-K60 PolarHBondContact O-N 3.43Å
61	S	67.2	Low	57.7	Low	80 Å²	80	66.1 Å²	66.1	56%	0.559	33%	0.326	S	S	*	.	H	α-helix	trans	-84.6	-11.6	176	68.6	0	0	0	0	113.6	A57 L58 R59	A57-S61 PolarHBondContact O-N 3.34Å; L58-S61 WeakPolarHBondContact CA-OG 3.39Å; L58-S61 PolarHBondContact O-N 2.78Å; L58-S61 PolarHBondContact O-OG 2.85Å; R59-S61 VanDerWaalsContact C-N 3.31Å
62	L	62.1	Low	57.5	Low	23 Å²	23	63.8 Å²	63.8	12%	0.12	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-66.6	135.8	178.9	-73.7	178.9	0	0	0	111.4	L58 R59 D66 I68 I91 I93	L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 3.3Å; L58-L62 VanDerWaalsContact O-N 3.11Å; R59-L62 WeakPolarHBondContact O-CB 3.37Å; R59-L62 PolarHBondContact O-N 2.87Å; L62-D66 HydrophobicContact CB-CB 4.19Å; L62-D66 HydrophobicContact CD2-CB 3.52Å; L62-D66 HydrophobicContact CG-CB 4.33Å; L62-I68 HydrophobicContact CD1-CD1 3.57Å; L62-I68 HydrophobicContact CD1-CG1 3.7Å; L62-I68 HydrophobicContact CD2-CD1 3.41Å; L62-I68 VanDerWaalsContact CD2-CD1 3.41Å; L62-I68 HydrophobicContact CD2-CG1 3.57Å; L62-I68 HydrophobicContact CG-CD1 3.69Å; L62-I68 HydrophobicContact CG-CG1 4.1Å; L62-I91 HydrophobicContact CD1-CG2 4.12Å; L62-I93 HydrophobicContact CB-CD1 3.47Å; L62-I93 VanDerWaalsContact CB-CD1 3.47Å; L62-I93 HydrophobicContact CD1-CD1 4.04Å; L62-I93 HydrophobicContact CD1-CG1 4.41Å; L62-I93 HydrophobicContact CG-CD1 4.42Å
63	R	63.2	Low	57	Low	192 Å²	192	58.9 Å²	58.9	73%	0.725	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-87.1	165.6	171.5	-61	-178.9	178.7	-176.2	-0.4	110	G65 D66	R63-G65 PolarHBondContact O-N 3.45Å; R63-D66 WeakPolarHBondContact CB-OD2 3.25Å; R63-D66 PolarHBondContact N-OD2 3.05Å; R63-D66 WeakPolarHBondContact O-CB 3.42Å; R63-D66 PolarHBondContact O-N 3.21Å
64	L	63.2	Low	56.1	Low	95 Å²	95	57.2 Å²	57.2	50%	0.497	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.2	170.7	-64.9	170	0	0	0	109.4	D66 I93 Y95	L64-D66 VanDerWaalsContact C-N 3.34Å; L64-I93 HydrophobicContact CD2-CG2 3.84Å; L64-Y95 HydrophobicContact CB-CE1 4.41Å; L64-Y95 HydrophobicContact CD1-CD1 4.34Å; L64-Y95 HydrophobicContact CD1-CE1 4.07Å
65	G	61.8	Low	55.4	Low	6 Å²	6	57.8 Å²	57.8	6%	0.062	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-1.4	-176.3	0	0	0	0	0	114.8	C27 L28 R63 I93	C27-G65 CarbonylContact C-O 3.39Å; C27-G65 WeakPolarHBondContact CA-O 3.47Å; L28-G65 PolarHBondContact N-O 3.46Å; R63-G65 PolarHBondContact O-N 3.45Å; G65-I93 PolarHBondContact N-O 3.36Å
66	D	57.2	Low	54.5	Low	23 Å²	23	58.3 Å²	58.3	12%	0.123	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	144.8	175.5	-65	-9.2	0	0	0	111.5	H29 L62 R63 L64	H29-D66 WeakPolarHBondContact CB-OD1 3Å; H29-D66 IonicContact CE1-OD1 3.94Å; H29-D66 IonicContact CG-OD1 3.47Å; H29-D66 IonicContact ND1-OD1 2.81Å; H29-D66 PolarHBondContact ND1-OD1 2.98Å; L62-D66 HydrophobicContact CB-CB 4.19Å; L62-D66 HydrophobicContact CD2-CB 3.52Å; L62-D66 HydrophobicContact CG-CB 4.33Å; R63-D66 WeakPolarHBondContact CB-OD2 3.25Å; R63-D66 PolarHBondContact N-OD2 3.05Å; R63-D66 WeakPolarHBondContact O-CB 3.42Å; R63-D66 PolarHBondContact O-N 3.21Å; L64-D66 VanDerWaalsContact C-N 3.34Å
67	C	57	Low	53.8	Low	1 Å²	1	65.4 Å²	65.4	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.4	177.6	-66.6	0	0	0	0	110.9	F24 C27 H29 Y30 S31	F24-C67 HydrophobicContact CD1-CB 3.79Å; F24-C67 HydrophobicContact CE1-CB 4.18Å; C27-C67 HydrophobicContact CB-CB 3.59Å; C27-C67 WeakPolarHBondContact CB-SG 3.19Å; C27-C67 WeakPolarHBondContact SG-CB 3.48Å; C27-C67 CovalentContact SG-SG 2Å; C27-C67 PolarHBondContact SG-SG 3.13Å; H29-C67 PolarHBondContact O-N 3.11Å; Y30-C67 HydrophobicContact CD1-CB 4.29Å; S31-C67 PolarHBondContact N-O 3.4Å
68	I	56.6	Low	52.6	Low	2 Å²	2	68.7 Å²	68.7	1%	0.01	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.9	177.2	-52.6	-170.9	0	0	0	109.1	S31 L58 L62 A90 I91	S31-I68 WeakPolarHBondContact O-CA 3.47Å; L58-I68 HydrophobicContact CD1-CD1 4.18Å; L58-I68 HydrophobicContact CD2-CD1 3.41Å; L58-I68 VanDerWaalsContact CD2-CD1 3.41Å; L58-I68 HydrophobicContact CD2-CG2 4.27Å; L58-I68 HydrophobicContact CG-CD1 3.37Å; L62-I68 HydrophobicContact CD1-CD1 3.57Å; L62-I68 HydrophobicContact CD1-CG1 3.7Å; L62-I68 HydrophobicContact CD2-CD1 3.41Å; L62-I68 VanDerWaalsContact CD2-CD1 3.41Å; L62-I68 HydrophobicContact CD2-CG1 3.57Å; L62-I68 HydrophobicContact CG-CD1 3.69Å; L62-I68 HydrophobicContact CG-CG1 4.1Å; I68-A90 VanDerWaalsContact O-CA 3.24Å; I68-A90 WeakPolarHBondContact O-CA 3.14Å; I68-A90 WeakPolarHBondContact O-CB 3.28Å; I68-I91 PolarHBondContact N-O 3.47Å; I68-I91 PolarHBondContact O-N 2.98Å
69	V	56.6	Low	51.4	Low	14 Å²	14	69.5 Å²	69.5	9%	0.085	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.6	168.5	-172.7	0	0	0	0	107.7	F24 S31 I32 L33 V88 A90	F24-V69 HydrophobicContact CE1-CG2 3.67Å; F24-V69 HydrophobicContact CE2-CG2 4.21Å; F24-V69 HydrophobicContact CZ-CG2 3.43Å; F24-V69 VanDerWaalsContact CZ-CG2 3.43Å; S31-V69 PolarHBondContact O-N 2Å; I32-V69 WeakPolarHBondContact CA-O 3.35Å; L33-V69 PolarHBondContact N-O 2.98Å; V69-V88 HydrophobicContact CG1-CG1 4.29Å; V69-A90 HydrophobicContact CG2-CB 4.42Å
70	A	48.8	Very low	50.2	Low	11 Å²	11	68.8 Å²	68.8	9%	0.091	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.5	172.2	0	0	0	0	0	109.3	L33 A89	L33-A70 HydrophobicContact CB-CB 4.35Å; A70-A89 PolarHBondContact N-O 3.29Å
71	S	46.9	Very low	48.5	Very low	48 Å²	48	67.7 Å²	67.7	34%	0.336	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	174.4	-175.5	0	0	0	0	110.1	L33	L33-S71 PolarHBondContact O-N 3.05Å
72	G	42.1	Very low	46.9	Very low	12 Å²	12	69.7 Å²	69.7	12%	0.124	38%	0.383	C	S	.	.			trans	-105.1	126.3	176.8	0	0	0	0	0	112.1
73	G	38.9	Very low	45.3	Very low	44 Å²	44	70.4 Å²	70.4	45%	0.454	39%	0.392	S	S	.	.			trans	-83.5	123.5	172.3	0	0	0	0	0	111.9
74	A	37.2	Very low	43.9	Very low	50 Å²	50	68.5 Å²	68.5	41%	0.413	40%	0.402	S	S	.	.			trans	-75.3	132.8	174.1	0	0	0	0	0	111.7	S76 L79	A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.74Å; A74-S76 VanDerWaalsContact O-N 3.13Å; A74-L79 HydrophobicContact CB-CD2 3.96Å
75	S	37.7	Very low	42.5	Very low	88 Å²	88	69 Å²	69	62%	0.615	41%	0.409	S	S	*	.			trans	-85.1	38.1	-169.1	60.3	0	0	0	0	115.1
76	S	37.5	Very low	41.2	Very low	44 Å²	44	70.8 Å²	70.8	31%	0.308	42%	0.423	S	S	.	.			trans	-132.2	121.6	-177.4	169	0	0	0	0	112	A74 T78 L79	A74-S76 VanDerWaalsContact C-N 3.32Å; A74-S76 PolarHBondContact O-N 2.74Å; A74-S76 VanDerWaalsContact O-N 3.13Å; S76-T78 PolarHBondContact O-N 2.9Å; S76-T78 PolarHBondContact OG-N 3.21Å; S76-L79 PolarHBondContact O-N 3.13Å; S76-L79 VanDerWaalsContact O-N 3.12Å; S76-L79 PolarHBondContact OG-N 2.92Å
77	R	42.1	Very low	40.3	Very low	212 Å²	212	73.8 Å²	73.8	80%	0.8	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	173.8	-76.2	-175.9	176.9	-174.6	-1.7	112.3
78	T	39.2	Very low	39.8	Very low	121 Å²	121	76.7 Å²	76.7	74%	0.742	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.9	-179.4	-28.2	0	0	0	0	112.8	S76	S76-T78 PolarHBondContact O-N 2.9Å; S76-T78 PolarHBondContact OG-N 3.21Å
79	L	35.4	Very low	39.2	Very low	76 Å²	76	77.2 Å²	77.2	40%	0.398	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-10.1	177.9	-141.2	82.8	0	0	0	113.3	A74 S76 L81 A83	A74-L79 HydrophobicContact CB-CD2 3.96Å; S76-L79 PolarHBondContact O-N 3.13Å; S76-L79 VanDerWaalsContact O-N 3.12Å; S76-L79 PolarHBondContact OG-N 2.92Å; L79-L81 VanDerWaalsContact C-N 3.25Å; L79-L81 PolarHBondContact O-N 3.38Å; L79-A83 HydrophobicContact CG-CB 4.26Å; L79-A83 PolarHBondContact O-N 3.41Å
80	H	36.7	Very low	38.9	Very low	119 Å²	119	77.7 Å²	77.7	55%	0.551	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.9	177.2	-85.7	-45.5	0	0	0	114.3	R37	R37-H80 PolarHBondContact NH2-CD2 2.76Å; R37-H80 PolarHBondContact NH2-NE2 2.81Å
81	L	31.6	Very low	39	Very low	160 Å²	160	78.5 Å²	78.5	84%	0.838	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-10.6	-177.6	-86.5	154.3	0	0	0	114	L79	L79-L81 VanDerWaalsContact C-N 3.25Å; L79-L81 PolarHBondContact O-N 3.38Å
82	T	32.4	Very low	39.2	Very low	122 Å²	122	78.3 Å²	78.3	75%	0.748	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.3	-9.5	-173.2	40.9	0	0	0	0	116.2
83	A	29.4	Very low	39.8	Very low	38 Å²	38	79.8 Å²	79.8	31%	0.314	47%	0.467	S	S	.	.			trans	-150.1	87.6	-177.3	0	0	0	0	0	111.7	L79 V85	L79-A83 HydrophobicContact CG-CB 4.26Å; L79-A83 PolarHBondContact O-N 3.41Å; A83-V85 HydrophobicContact CB-CG2 3.83Å; A83-V85 PolarHBondContact O-N 3.12Å
84	T	32.7	Very low	40.4	Very low	152 Å²	152	83.6 Å²	83.6	93%	0.933	47%	0.471	S	S	*	.			trans	-51.3	69.4	146.5	-37.1	0	0	0	0	109.7
85	V	34.1	Very low	40.8	Very low	105 Å²	105	89 Å²	89	64%	0.636	48%	0.482	S	S	*	.			trans	-113.8	71.9	170.6	-172.1	0	0	0	0	106.9	A83 F87	A83-V85 HydrophobicContact CB-CG2 3.83Å; A83-V85 PolarHBondContact O-N 3.12Å; V85-F87 PolarHBondContact O-N 3.26Å
86	A	35.4	Very low	40.7	Very low	44 Å²	44	88 Å²	88	36%	0.364	49%	0.486	S	S	.	.			trans	-69.4	120.7	153.4	0	0	0	0	0	106.2	V88	A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 HydrophobicContact CB-CG2 4.13Å; A86-V88 PolarHBondContact O-N 3.21Å
87	F	38.8	Very low	40.5	Very low	86 Å²	86	100.3 Å²	100.3	38%	0.377	53%	0.528	S	S	.	.			trans	-67.7	103	160.7	-177.1	-84	0	0	0	106.6	R51 W52 V85 A89	R51-F87 VanDerWaalsContact CZ-CD1 3.45Å; R51-F87 VanDerWaalsContact CZ-CE1 3.47Å; W52-F87 HydrophobicContact CH2-CZ 4.47Å; W52-F87 HydrophobicContact CZ2-CZ 4.44Å; V85-F87 PolarHBondContact O-N 3.26Å; F87-A89 HydrophobicContact CD1-CB 3.96Å; F87-A89 HydrophobicContact CE1-CB 3.39Å; F87-A89 HydrophobicContact CZ-CB 4.28Å
88	V	44.7	Very low	40.4	Very low	63 Å²	63	94.8 Å²	94.8	38%	0.382	51%	0.514	S	S	.	.			trans	-91.2	101.2	169.8	-178	0	0	0	0	106.2	V69 A86	V69-V88 HydrophobicContact CG1-CG1 4.29Å; A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 HydrophobicContact CB-CG2 4.13Å; A86-V88 PolarHBondContact O-N 3.21Å
89	A	45.1	Very low	40.5	Very low	13 Å²	13	93.4 Å²	93.4	11%	0.107	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.7	156.4	0	0	0	0	0	107.2	F55 A70 F87	F55-A89 HydrophobicContact CE2-CB 3.94Å; F55-A89 HydrophobicContact CZ-CB 3.87Å; A70-A89 PolarHBondContact N-O 3.29Å; F87-A89 HydrophobicContact CD1-CB 3.96Å; F87-A89 HydrophobicContact CE1-CB 3.39Å; F87-A89 HydrophobicContact CZ-CB 4.28Å
90	A	49.6	Very low	40.7	Very low	23 Å²	23	94.3 Å²	94.3	19%	0.19	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.1	166	0	0	0	0	0	110.4	I22 F24 I68 V69	I22-A90 HydrophobicContact CD1-CB 3.31Å; I22-A90 HydrophobicContact CG2-CB 4.3Å; F24-A90 HydrophobicContact CE1-CB 3.83Å; F24-A90 HydrophobicContact CZ-CB 3.43Å; F24-A90 VanDerWaalsContact CZ-CB 3.43Å; I68-A90 VanDerWaalsContact O-CA 3.24Å; I68-A90 WeakPolarHBondContact O-CA 3.14Å; I68-A90 WeakPolarHBondContact O-CB 3.28Å; V69-A90 HydrophobicContact CG2-CB 4.42Å
91	I	50.7	Low	41	Very low	28 Å²	28	92.9 Å²	92.9	14%	0.144	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.6	174.6	-73.9	176.6	0	0	0	106.7	F55 R59 L62 I68 I93	F55-I91 HydrophobicContact CD1-CD1 4.25Å; F55-I91 HydrophobicContact CE1-CD1 3.26Å; F55-I91 HydrophobicContact CE1-CG1 4.09Å; F55-I91 HydrophobicContact CE2-CD1 3.97Å; F55-I91 HydrophobicContact CE2-CG1 4.41Å; F55-I91 HydrophobicContact CZ-CD1 3.11Å; F55-I91 HydrophobicContact CZ-CG1 3.54Å; R59-I91 HydrophobicContact CB-CD1 3.99Å; R59-I91 HydrophobicContact CG-CD1 3.72Å; L62-I91 HydrophobicContact CD1-CG2 4.12Å; I68-I91 PolarHBondContact N-O 3.47Å; I68-I91 PolarHBondContact O-N 2.98Å; I91-I93 HydrophobicContact CG2-CG1 3.95Å
92	V	52.5	Low	41.6	Very low	45 Å²	45	88.7 Å²	88.7	27%	0.273	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.7	168.6	-177	0	0	0	0	106.8	I22 F24 K94	I22-V92 HydrophobicContact CG2-CG2 3.37Å; F24-V92 HydrophobicContact CD1-CG2 4.06Å; F24-V92 HydrophobicContact CE1-CG2 4.19Å; V92-K94 HydrophobicContact CG1-CG 3.7Å
93	I	53.4	Low	42.2	Very low	43 Å²	43	86.5 Å²	86.5	22%	0.221	47%	0.467	C	S	.	.			trans	-95	96.5	171	-54.6	-172.7	0	0	0	107.6	L62 L64 G65 I91	L62-I93 HydrophobicContact CB-CD1 3.47Å; L62-I93 VanDerWaalsContact CB-CD1 3.47Å; L62-I93 HydrophobicContact CD1-CD1 4.04Å; L62-I93 HydrophobicContact CD1-CG1 4.41Å; L62-I93 HydrophobicContact CG-CD1 4.42Å; L64-I93 HydrophobicContact CD2-CG2 3.84Å; G65-I93 PolarHBondContact N-O 3.36Å; I91-I93 HydrophobicContact CG2-CG1 3.95Å
94	K	51.6	Low	43.1	Very low	123 Å²	123	89.9 Å²	89.9	54%	0.535	48%	0.478	S	S	.	.			trans	-86.2	148.2	173.1	-67.5	-166.6	176.3	-178.2	0	110.3	V92 G96	V92-K94 HydrophobicContact CG1-CG 3.7Å; K94-G96 PolarHBondContact O-N 3.26Å
95	Y	45.9	Very low	43.9	Very low	163 Å²	163	85.2 Å²	85.2	64%	0.639	44%	0.443	S	S	*	.			trans	-51.8	131.7	174.7	-73.3	-88.1	0	0	0	110.9	L64	L64-Y95 HydrophobicContact CB-CE1 4.41Å; L64-Y95 HydrophobicContact CD1-CD1 4.34Å; L64-Y95 HydrophobicContact CD1-CE1 4.07Å
96	G	36.1	Very low	44.7	Very low	68 Å²	68	83.5 Å²	83.5	70%	0.701	43%	0.427	S	S	*	.			trans	-94.4	91.2	169.4	0	0	0	0	0	109.9	K94	K94-G96 PolarHBondContact O-N 3.26Å
97	Y	32.8	Very low	45.6	Very low	303 Å²	303	87.1 Å²	87.1	100%	1.188	43%	0.432	S	S	*	.			trans	-151.7	0	154.8	-83.2	-71.9	0	0	0	108.1

Retrieved 97 of 97 residues in 98.5 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).