A0A077Z2B8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2B8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 aa.

						>A0A077Z2B8_TRITR|A0A077Z2B8
MLTDCGYDRRRRHYVYAFILVTNQEQAIGVAKLAYDESGMKAESSSSVVGLVESPIVGGSIDESQQANRTNRVRRTDTKSPRRRRRTWDRSLKKRYPSYVPYFSRCQ
					

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(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	34	Very low	35	Very low	245 Å²	245	165.9 Å²	165.9	100%	1.207	82%	0.823	S	S	*	*				0	105.9	0	-78.2	177.8	170.6	0	0	107.6
2	L	31.4	Very low	35.2	Very low	186 Å²	186	165.3 Å²	165.3	97%	0.974	80%	0.804	S	S	*	*			trans	-89.6	118.9	-179.3	-81.8	140.5	0	0	0	108.4
3	T	32.7	Very low	35.5	Very low	132 Å²	132	160.7 Å²	160.7	81%	0.81	78%	0.78	S	S	*	*			trans	-93	124.4	177.5	18.4	0	0	0	0	111.4
4	D	34.3	Very low	36	Very low	155 Å²	155	155.1 Å²	155.1	83%	0.829	75%	0.748	S	S	*	*			trans	34.6	101.2	155.6	-78.1	-57	0	0	0	120	G6	D4-G6 PolarHBondContact O-N 3.37Å
5	C	31.9	Very low	36.7	Very low	134 Å²	134	152.3 Å²	152.3	91%	0.905	74%	0.743	S	S	*	*			trans	-82.6	92.5	157.2	-70.8	0	0	0	0	110.1	Y7	C5-Y7 PolarHBondContact O-N 3.45Å
6	G	33.9	Very low	37.5	Very low	74 Å²	74	149.5 Å²	149.5	76%	0.763	72%	0.723	S	S	*	*			trans	-75	103.7	166.9	0	0	0	0	0	111.4	D4	D4-G6 PolarHBondContact O-N 3.37Å
7	Y	33.7	Very low	38.2	Very low	162 Å²	162	145.8 Å²	145.8	64%	0.635	72%	0.722	S	S	*	*			trans	-90.3	99.5	-179.2	-160.9	-95	0	0	0	111	C5 R9 Q107	C5-Y7 PolarHBondContact O-N 3.45Å; Y7-R9 HydrophobicContact CD1-CG 4.05Å; Y7-R9 HydrophobicContact CE1-CG 3.61Å; Y7-Q107 PolarHBondContact OH-OXT 3.33Å
8	D	35.1	Very low	39.5	Very low	95 Å²	95	146.4 Å²	146.4	51%	0.508	72%	0.72	S	S	.	*			trans	-105.1	106.7	171.6	-170	-7.7	0	0	0	110.3	R10 R11	D8-R10 PolarHBondContact O-N 3.15Å; D8-R11 PolarHBondContact O-N 3.35Å
9	R	39.8	Very low	40.8	Very low	220 Å²	220	143.3 Å²	143.3	83%	0.83	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-6.7	-172.9	-93.1	-176.8	175.7	162.1	0.1	115.6	Y7	Y7-R9 HydrophobicContact CD1-CG 4.05Å; Y7-R9 HydrophobicContact CE1-CG 3.61Å
10	R	39	Very low	41.8	Very low	240 Å²	240	141.6 Å²	141.6	91%	0.906	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-3.6	-175.1	-70.8	-172.5	-178.4	-176.4	2	115.4	D8	D8-R10 PolarHBondContact O-N 3.15Å
11	R	39.1	Very low	42.9	Very low	182 Å²	182	135.1 Å²	135.1	69%	0.687	67%	0.668	S	S	*	*	S	Bend	trans	-131	118.9	175.1	-71.1	-178.9	178.5	-167.2	2	107.5	D8 H13	D8-R11 PolarHBondContact O-N 3.35Å; R11-H13 WeakPolarHBondContact CB-NE2 3.45Å; R11-H13 PolarHBondContact O-CD2 3.09Å; R11-H13 PolarHBondContact O-N 3.39Å
12	R	37.1	Very low	44.3	Very low	159 Å²	159	127.9 Å²	127.9	60%	0.6	64%	0.638	S	S	*	*			trans	-65	91.6	169.5	-70.4	-177.6	-177.4	141.7	-1.9	107.7	Y14 R105	R12-Y14 HydrophobicContact CB-CD2 4.36Å; R12-Y14 HydrophobicContact CB-CE2 3.83Å; R12-Y14 VanDerWaalsContact O-CD2 3.24Å; R12-Y14 WeakPolarHBondContact O-CD2 3.29Å; R12-Y14 PolarHBondContact O-N 3.27Å; R12-R105 VanDerWaalsContact CZ-CZ 3.42Å; R12-R105 VanDerWaalsContact CZ-NH2 3.25Å
13	H	38.8	Very low	45.8	Very low	105 Å²	105	122 Å²	122	49%	0.486	61%	0.607	S	S	.	*			trans	-76.6	110.8	170.4	-77.2	-90.8	0	0	0	106.6	R11 C106	R11-H13 WeakPolarHBondContact CB-NE2 3.45Å; R11-H13 PolarHBondContact O-CD2 3.09Å; R11-H13 PolarHBondContact O-N 3.39Å; H13-C106 WeakPolarHBondContact O-CB 3.49Å; H13-C106 PolarHBondContact O-SG 3.32Å
14	Y	43.1	Very low	47	Very low	83 Å²	83	122.7 Å²	122.7	33%	0.325	60%	0.601	S	S	.	*			trans	-81.3	116.9	172.4	-69.4	-110.3	0	0	0	106.7	R12 Y16 F103 S104 R105	R12-Y14 HydrophobicContact CB-CD2 4.36Å; R12-Y14 HydrophobicContact CB-CE2 3.83Å; R12-Y14 VanDerWaalsContact O-CD2 3.24Å; R12-Y14 WeakPolarHBondContact O-CD2 3.29Å; R12-Y14 PolarHBondContact O-N 3.27Å; Y14-Y16 WeakPolarHBondContact O-CD2 3.49Å; Y14-F103 HydrophobicContact CE1-CB 4.5Å; Y14-S104 WeakPolarHBondContact CD1-O 3.39Å; Y14-R105 HydrophobicContact CE1-CB 4.06Å; Y14-R105 HydrophobicContact CE1-CG 4.14Å
15	V	46.9	Very low	48.5	Very low	112 Å²	112	122.8 Å²	122.8	68%	0.679	60%	0.596	S	S	*	*			trans	-85.9	114.3	170	-179.6	0	0	0	0	107.6
16	Y	49.8	Very low	49.9	Very low	108 Å²	108	120.6 Å²	120.6	42%	0.424	57%	0.573	S	S	.	*			trans	-94.4	121.2	175	-61.8	-85.6	0	0	0	109.2	Y14 Y102 F103	Y14-Y16 WeakPolarHBondContact O-CD2 3.49Å; Y16-Y102 WeakPolarHBondContact CE1-O 3.5Å; Y16-F103 WeakPolarHBondContact OH-CD1 3.4Å
17	A	48.7	Very low	51.4	Low	86 Å²	86	117.9 Å²	117.9	71%	0.711	54%	0.543	S	S	*	.			trans	-100.2	130.2	163.9	0	0	0	0	0	108.7
18	F	61.7	Low	52.9	Low	157 Å²	157	115.3 Å²	115.3	69%	0.689	54%	0.54	S	S	*	.			trans	-108.9	119.2	172.5	-64.4	-84.2	0	0	0	108
19	I	64	Low	54.5	Low	87 Å²	87	112.8 Å²	112.8	45%	0.446	54%	0.535	S	S	.	.			trans	-109.6	120.3	176.6	-59.4	169.6	0	0	0	107	V30	I19-V30 HydrophobicContact CB-CG1 3.88Å; I19-V30 HydrophobicContact CD1-CG1 3.39Å; I19-V30 HydrophobicContact CG1-CG1 4.21Å; I19-V30 HydrophobicContact CG2-CG1 3.85Å; I19-V30 HydrophobicContact CG2-CG2 4.2Å
20	L	61.7	Low	55.9	Low	109 Å²	109	104.1 Å²	104.1	57%	0.571	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	132.9	171.7	-106.5	145.6	0	0	0	108.5	L51 E53	L20-L51 HydrophobicContact CD2-CB 4.49Å; L20-E53 VanDerWaalsContact CD2-CD 3.5Å; L20-E53 HydrophobicContact CD2-CG 3.61Å
21	V	64.5	Low	57.2	Low	6 Å²	6	93.5 Å²	93.5	4%	0.036	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.6	-176.4	-117.6	0	0	0	0	109.8	Q26 A27 V30 L51 V52 E53	V21-Q26 HydrophobicContact CB-CB 4.41Å; V21-Q26 HydrophobicContact CG1-CB 3.35Å; V21-A27 HydrophobicContact CB-CB 4.25Å; V21-A27 HydrophobicContact CG2-CB 3.91Å; V21-V30 HydrophobicContact CG1-CG2 4.07Å; V21-L51 PolarHBondContact N-O 3Å; V21-L51 VanDerWaalsContact O-O 3.11Å; V21-V52 WeakPolarHBondContact O-CA 3.06Å; V21-E53 PolarHBondContact O-N 3.38Å
22	T	63.6	Low	58.6	Low	94 Å²	94	91.2 Å²	91.2	58%	0.577	47%	0.466	S	S	*	.	S	Bend	trans	-95.7	-15.3	-170.7	58.5	0	0	0	0	112.8	Q26	T22-Q26 PolarHBondContact OG1-OE1 3.28Å; T22-Q26 VanDerWaalsContact OG1-OE1 3.05Å
23	N	62.3	Low	60.1	Low	61 Å²	61	88.2 Å²	88.2	33%	0.326	46%	0.461	S	S	.	.	S	Bend	trans	-141	164	173.4	72.7	18.3	0	0	0	111.5	E25 Q26 A27	N23-E25 PolarHBondContact OD1-N 3.23Å; N23-Q26 WeakPolarHBondContact OD1-CA 3.37Å; N23-Q26 WeakPolarHBondContact OD1-CB 2.97Å; N23-Q26 WeakPolarHBondContact OD1-CG 3.43Å; N23-Q26 PolarHBondContact OD1-N 2.75Å; N23-A27 PolarHBondContact O-N 3.02Å
24	Q	58.6	Low	61.4	Low	147 Å²	147	84.7 Å²	84.7	69%	0.687	45%	0.45	S	S	*	.	H	α-helix	trans	-68.2	-34.8	-176.8	-173.7	174.9	-8.5	0	0	112.6	A27 I28	Q24-A27 WeakPolarHBondContact O-CB 3.39Å; Q24-A27 PolarHBondContact O-N 3.14Å; Q24-I28 WeakPolarHBondContact O-CG1 3.33Å; Q24-I28 PolarHBondContact O-N 2.78Å; Q24-I28 VanDerWaalsContact O-N 3.11Å
25	E	65.2	Low	62.3	Low	157 Å²	157	84.6 Å²	84.6	73%	0.734	45%	0.45	S	S	*	.	H	α-helix	trans	-65.4	-42	179	-65.2	-175.5	163.3	0	0	112	N23 A27 I28 G29	N23-E25 PolarHBondContact OD1-N 3.23Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.89Å; E25-I28 PolarHBondContact O-N 3.01Å; E25-G29 PolarHBondContact O-N 3.39Å
26	Q	62.4	Low	63.2	Low	89 Å²	89	84.7 Å²	84.7	42%	0.416	45%	0.446	S	S	.	.	H	α-helix	trans	-65.7	-36.9	173.5	-71.2	169	3.1	0	0	110.9	V21 T22 N23 I28 G29 V30	V21-Q26 HydrophobicContact CB-CB 4.41Å; V21-Q26 HydrophobicContact CG1-CB 3.35Å; T22-Q26 PolarHBondContact OG1-OE1 3.28Å; T22-Q26 VanDerWaalsContact OG1-OE1 3.05Å; N23-Q26 WeakPolarHBondContact OD1-CA 3.37Å; N23-Q26 WeakPolarHBondContact OD1-CB 2.97Å; N23-Q26 WeakPolarHBondContact OD1-CG 3.43Å; N23-Q26 PolarHBondContact OD1-N 2.75Å; Q26-I28 VanDerWaalsContact C-N 3.28Å; Q26-I28 PolarHBondContact O-N 2.76Å; Q26-G29 PolarHBondContact O-N 3.08Å; Q26-V30 WeakPolarHBondContact O-CB 3.4Å; Q26-V30 VanDerWaalsContact O-CG2 3.26Å; Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 2.95Å
27	A	63.8	Low	63.9	Low	17 Å²	17	86.9 Å²	86.9	14%	0.14	46%	0.461	C	S	.	.	H	α-helix	trans	-61.2	-40.4	176.8	0	0	0	0	0	111.7	V21 N23 Q24 E25 A31 V52	V21-A27 HydrophobicContact CB-CB 4.25Å; V21-A27 HydrophobicContact CG2-CB 3.91Å; N23-A27 PolarHBondContact O-N 3.02Å; Q24-A27 WeakPolarHBondContact O-CB 3.39Å; Q24-A27 PolarHBondContact O-N 3.14Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-A27 PolarHBondContact O-N 2.89Å; A27-A31 VanDerWaalsContact O-CB 3.24Å; A27-A31 WeakPolarHBondContact O-CB 3.06Å; A27-A31 PolarHBondContact O-N 3.11Å; A27-V52 HydrophobicContact CB-CG2 4.12Å
28	I	64.8	Low	64.3	Low	108 Å²	108	85.1 Å²	85.1	55%	0.554	44%	0.443	S	S	*	.	H	α-helix	trans	-66	-44.5	174	-64.2	165.9	0	0	0	110.6	Q24 E25 Q26 A31 K32	Q24-I28 WeakPolarHBondContact O-CG1 3.33Å; Q24-I28 PolarHBondContact O-N 2.78Å; Q24-I28 VanDerWaalsContact O-N 3.11Å; E25-I28 PolarHBondContact O-N 3.01Å; Q26-I28 VanDerWaalsContact C-N 3.28Å; Q26-I28 PolarHBondContact O-N 2.76Å; I28-A31 PolarHBondContact O-N 3.07Å; I28-K32 WeakPolarHBondContact O-CB 2.75Å; I28-K32 PolarHBondContact O-N 2.94Å
29	G	69.8	Low	63.9	Low	41 Å²	41	80.6 Å²	80.6	42%	0.423	44%	0.441	S	S	.	.	H	α-helix	trans	-61.6	-46.4	178.6	0	0	0	0	0	113	E25 Q26 K32 L33	E25-G29 PolarHBondContact O-N 3.39Å; Q26-G29 PolarHBondContact O-N 3.08Å; G29-K32 PolarHBondContact O-N 3.44Å; G29-L33 WeakPolarHBondContact O-CB 3.43Å; G29-L33 PolarHBondContact O-N 3.48Å
30	V	68.7	Low	63.2	Low	38 Å²	38	78.4 Å²	78.4	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-64.7	-41.5	176.3	170.4	0	0	0	0	111	I19 V21 Q26 L33 A34	I19-V30 HydrophobicContact CB-CG1 3.88Å; I19-V30 HydrophobicContact CD1-CG1 3.39Å; I19-V30 HydrophobicContact CG1-CG1 4.21Å; I19-V30 HydrophobicContact CG2-CG1 3.85Å; I19-V30 HydrophobicContact CG2-CG2 4.2Å; V21-V30 HydrophobicContact CG1-CG2 4.07Å; Q26-V30 WeakPolarHBondContact O-CB 3.4Å; Q26-V30 VanDerWaalsContact O-CG2 3.26Å; Q26-V30 WeakPolarHBondContact O-CG2 3.44Å; Q26-V30 PolarHBondContact O-N 2.95Å; V30-L33 PolarHBondContact O-N 3.22Å; V30-A34 WeakPolarHBondContact O-CB 3.09Å; V30-A34 PolarHBondContact O-N 3.22Å
31	A	67.1	Low	62.2	Low	17 Å²	17	81.2 Å²	81.2	14%	0.14	44%	0.437	C	S	.	.	H	α-helix	trans	-58.8	-51.9	174.7	0	0	0	0	0	110.4	A27 I28 L33 A34 Y35 V48	A27-A31 VanDerWaalsContact O-CB 3.24Å; A27-A31 WeakPolarHBondContact O-CB 3.06Å; A27-A31 PolarHBondContact O-N 3.11Å; I28-A31 PolarHBondContact O-N 3.07Å; A31-L33 PolarHBondContact O-N 3.26Å; A31-A34 WeakPolarHBondContact O-CB 3.45Å; A31-A34 PolarHBondContact O-N 3.25Å; A31-A34 VanDerWaalsContact O-N 3.08Å; A31-Y35 HydrophobicContact CB-CE2 4.47Å; A31-Y35 WeakPolarHBondContact O-CD2 3.49Å; A31-Y35 PolarHBondContact O-N 3.05Å; A31-V48 HydrophobicContact CB-CB 3.82Å; A31-V48 HydrophobicContact CB-CG1 3.68Å; A31-V48 HydrophobicContact CB-CG2 3.89Å
32	K	67.7	Low	61.2	Low	135 Å²	135	86.2 Å²	86.2	59%	0.587	48%	0.478	S	S	*	.	H	α-helix	trans	-58.1	-45.9	179.3	-171.3	177	178.4	-176.8	0	112.1	I28 G29 A34 Y35 D36	I28-K32 WeakPolarHBondContact O-CB 2.75Å; I28-K32 PolarHBondContact O-N 2.94Å; G29-K32 PolarHBondContact O-N 3.44Å; K32-A34 VanDerWaalsContact C-N 3.3Å; K32-A34 PolarHBondContact O-N 3.28Å; K32-Y35 PolarHBondContact O-N 2.81Å; K32-Y35 VanDerWaalsContact O-N 3.14Å; K32-D36 WeakPolarHBondContact O-CB 3.08Å; K32-D36 VanDerWaalsContact O-CG 3.28Å; K32-D36 PolarHBondContact O-N 2.58Å
33	L	68.8	Low	59.8	Low	95 Å²	95	90.7 Å²	90.7	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-56.8	-45.2	174.4	-167.6	100.7	0	0	0	111.2	G29 V30 A31 Y35 D36 E37	G29-L33 WeakPolarHBondContact O-CB 3.43Å; G29-L33 PolarHBondContact O-N 3.48Å; V30-L33 PolarHBondContact O-N 3.22Å; A31-L33 PolarHBondContact O-N 3.26Å; L33-Y35 PolarHBondContact O-N 2.74Å; L33-D36 PolarHBondContact O-N 3.34Å; L33-E37 HydrophobicContact CG-CG 4.38Å; L33-E37 WeakPolarHBondContact O-CB 3.24Å; L33-E37 WeakPolarHBondContact O-CG 3.4Å; L33-E37 PolarHBondContact O-N 2.89Å
34	A	65.2	Low	58.3	Low	32 Å²	32	90.4 Å²	90.4	26%	0.264	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-35.4	177.8	0	0	0	0	0	112.8	V30 A31 K32 S38	V30-A34 WeakPolarHBondContact O-CB 3.09Å; V30-A34 PolarHBondContact O-N 3.22Å; A31-A34 WeakPolarHBondContact O-CB 3.45Å; A31-A34 PolarHBondContact O-N 3.25Å; A31-A34 VanDerWaalsContact O-N 3.08Å; K32-A34 VanDerWaalsContact C-N 3.3Å; K32-A34 PolarHBondContact O-N 3.28Å; A34-S38 WeakPolarHBondContact O-CB 2.92Å; A34-S38 PolarHBondContact O-N 3.2Å; A34-S38 VanDerWaalsContact O-N 3.11Å; A34-S38 PolarHBondContact O-OG 2.95Å
35	Y	62.2	Low	57	Low	80 Å²	80	89.2 Å²	89.2	31%	0.314	50%	0.503	S	S	.	.	H	α-helix	trans	-66.2	-45.5	172.4	-81.2	-84.7	0	0	0	111.6	A31 K32 L33 S38 S46 V48	A31-Y35 HydrophobicContact CB-CE2 4.47Å; A31-Y35 WeakPolarHBondContact O-CD2 3.49Å; A31-Y35 PolarHBondContact O-N 3.05Å; K32-Y35 PolarHBondContact O-N 2.81Å; K32-Y35 VanDerWaalsContact O-N 3.14Å; L33-Y35 PolarHBondContact O-N 2.74Å; Y35-S38 PolarHBondContact O-N 3.35Å; Y35-S38 PolarHBondContact O-OG 3.4Å; Y35-S38 VanDerWaalsContact O-OG 3.08Å; Y35-S46 WeakPolarHBondContact CD1-OG 3.36Å; Y35-S46 VanDerWaalsContact CE1-CB 3.46Å; Y35-S46 WeakPolarHBondContact CE1-OG 2.99Å; Y35-S46 PolarHBondContact OH-O 3.31Å; Y35-V48 HydrophobicContact CD2-CG2 4.07Å; Y35-V48 HydrophobicContact CE2-CB 4.45Å; Y35-V48 HydrophobicContact CE2-CG2 3.48Å; Y35-V48 VanDerWaalsContact CE2-CG2 3.48Å
36	D	66.5	Low	55.4	Low	114 Å²	114	82.6 Å²	82.6	61%	0.61	47%	0.474	S	S	*	.	H	α-helix	trans	-66.6	-45.9	-178	-67.9	-20.8	0	0	0	110.9	K32 L33 S38 G39	K32-D36 WeakPolarHBondContact O-CB 3.08Å; K32-D36 VanDerWaalsContact O-CG 3.28Å; K32-D36 PolarHBondContact O-N 2.58Å; L33-D36 PolarHBondContact O-N 3.34Å; D36-S38 PolarHBondContact O-N 2.95Å; D36-G39 PolarHBondContact O-N 3.32Å
37	E	64.3	Low	54	Low	154 Å²	154	80 Å²	80	72%	0.72	47%	0.466	S	S	*	.	H	α-helix	trans	-69.7	-29.8	178.7	-73.4	-174.4	168.1	0	0	113.3	L33 G39	L33-E37 HydrophobicContact CG-CG 4.38Å; L33-E37 WeakPolarHBondContact O-CB 3.24Å; L33-E37 WeakPolarHBondContact O-CG 3.4Å; L33-E37 PolarHBondContact O-N 2.89Å; E37-G39 PolarHBondContact O-N 2.8Å
38	S	58.2	Low	52.6	Low	50 Å²	50	81.1 Å²	81.1	35%	0.35	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.2	179.5	58.9	0	0	0	0	113.8	A34 Y35 D36 M40	A34-S38 WeakPolarHBondContact O-CB 2.92Å; A34-S38 PolarHBondContact O-N 3.2Å; A34-S38 VanDerWaalsContact O-N 3.11Å; A34-S38 PolarHBondContact O-OG 2.95Å; Y35-S38 PolarHBondContact O-N 3.35Å; Y35-S38 PolarHBondContact O-OG 3.4Å; Y35-S38 VanDerWaalsContact O-OG 3.08Å; D36-S38 PolarHBondContact O-N 2.95Å; S38-M40 PolarHBondContact O-N 3.2Å; S38-M40 WeakPolarHBondContact OG-CG 3.26Å
39	G	52.2	Low	51.3	Low	61 Å²	61	77.8 Å²	77.8	63%	0.629	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	19.3	-178	0	0	0	0	0	113.1	D36 E37 K41	D36-G39 PolarHBondContact O-N 3.32Å; E37-G39 PolarHBondContact O-N 2.8Å; G39-K41 PolarHBondContact O-N 3.49Å
40	M	48.6	Very low	49.6	Very low	41 Å²	41	77.7 Å²	77.7	20%	0.202	45%	0.454	C	S	.	.			trans	-70.6	98	-178.5	-70.2	-94.8	-156.9	0	0	108.2	S38 A42 S104	S38-M40 PolarHBondContact O-N 3.2Å; S38-M40 WeakPolarHBondContact OG-CG 3.26Å; M40-A42 PolarHBondContact O-N 2.76Å; M40-S104 WeakPolarHBondContact CE-OG 3.4Å
41	K	42.1	Very low	48.1	Very low	169 Å²	169	80.1 Å²	80.1	74%	0.735	47%	0.466	S	S	*	.			trans	-51.9	135.5	163.1	-73.8	-176.9	176.3	-179.1	0	107.9	G39 E43 S44	G39-K41 PolarHBondContact O-N 3.49Å; K41-E43 PolarHBondContact O-N 2.96Å; K41-S44 PolarHBondContact O-N 2.73Å; K41-S44 PolarHBondContact O-OG 3.35Å
42	A	43.6	Very low	46.5	Very low	110 Å²	110	82.4 Å²	82.4	91%	0.909	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-1.2	-171.7	0	0	0	0	0	115.9	M40 S44	M40-A42 PolarHBondContact O-N 2.76Å; A42-S44 VanDerWaalsContact C-N 3.33Å
43	E	33.2	Very low	45.2	Very low	189 Å²	189	81.1 Å²	81.1	88%	0.883	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.7	171.3	-62	-171.4	153.7	0	0	113.7	K41	K41-E43 PolarHBondContact O-N 2.96Å
44	S	31.6	Very low	43.7	Very low	55 Å²	55	81 Å²	81	39%	0.385	48%	0.481	S	S	.	.	S	Bend	trans	-99.8	104.2	178.6	-49.2	0	0	0	0	109.2	K41 A42 S46	K41-S44 PolarHBondContact O-N 2.73Å; K41-S44 PolarHBondContact O-OG 3.35Å; A42-S44 VanDerWaalsContact C-N 3.33Å; S44-S46 VanDerWaalsContact C-N 3.32Å; S44-S46 PolarHBondContact O-N 2.7Å; S44-S46 PolarHBondContact O-OG 3.22Å
45	S	31.5	Very low	42.2	Very low	121 Å²	121	84.8 Å²	84.8	85%	0.846	50%	0.503	S	S	*	.			trans	-54.2	96	175.1	56.5	0	0	0	0	110.2
46	S	30.9	Very low	41	Very low	18 Å²	18	87.3 Å²	87.3	13%	0.126	52%	0.52	C	S	.	.			trans	-108.9	139.6	174.3	15.8	0	0	0	0	106.9	Y35 S44 Y102	Y35-S46 WeakPolarHBondContact CD1-OG 3.36Å; Y35-S46 VanDerWaalsContact CE1-CB 3.46Å; Y35-S46 WeakPolarHBondContact CE1-OG 2.99Å; Y35-S46 PolarHBondContact OH-O 3.31Å; S44-S46 VanDerWaalsContact C-N 3.32Å; S44-S46 PolarHBondContact O-N 2.7Å; S44-S46 PolarHBondContact O-OG 3.22Å; S46-Y102 VanDerWaalsContact C-CE2 3.48Å; S46-Y102 WeakPolarHBondContact CB-OH 3.36Å
47	S	33.1	Very low	39.5	Very low	36 Å²	36	88.6 Å²	88.6	25%	0.252	53%	0.532	S	S	.	.			trans	-131.1	75	-171.1	37.6	0	0	0	0	111.9	V49 P101 Y102	S47-V49 PolarHBondContact O-N 3.14Å; S47-P101 WeakPolarHBondContact CB-O 3.15Å; S47-P101 PolarHBondContact OG-O 3.36Å; S47-Y102 VanDerWaalsContact CA-CD2 3.43Å; S47-Y102 WeakPolarHBondContact O-CA 3.43Å; S47-Y102 WeakPolarHBondContact O-CB 3.45Å; S47-Y102 WeakPolarHBondContact O-CD2 3.45Å; S47-Y102 WeakPolarHBondContact OG-CA 3.38Å; S47-Y102 WeakPolarHBondContact OG-CD2 3.35Å
48	V	35.2	Very low	37.8	Very low	40 Å²	40	84.6 Å²	84.6	24%	0.242	53%	0.532	C	S	.	.			trans	-55	125.4	-179.5	178.6	0	0	0	0	112.7	A31 Y35 Y102	A31-V48 HydrophobicContact CB-CB 3.82Å; A31-V48 HydrophobicContact CB-CG1 3.68Å; A31-V48 HydrophobicContact CB-CG2 3.89Å; Y35-V48 HydrophobicContact CD2-CG2 4.07Å; Y35-V48 HydrophobicContact CE2-CB 4.45Å; Y35-V48 HydrophobicContact CE2-CG2 3.48Å; Y35-V48 VanDerWaalsContact CE2-CG2 3.48Å; V48-Y102 HydrophobicContact CG2-CD1 4.41Å; V48-Y102 HydrophobicContact CG2-CE1 3.9Å
49	V	37.6	Very low	36.5	Very low	38 Å²	38	85 Å²	85	23%	0.23	54%	0.544	C	S	.	.			trans	-93.6	99.5	172.1	-165.2	0	0	0	0	109.2	S47 V100	S47-V49 PolarHBondContact O-N 3.14Å; V49-V100 WeakPolarHBondContact CG2-O 3.08Å
50	G	33.7	Very low	35.6	Very low	38 Å²	38	87.4 Å²	87.4	39%	0.392	55%	0.551	S	S	.	*			trans	-88.2	119.1	166.9	0	0	0	0	0	110.4	V52	G50-V52 PolarHBondContact O-N 3.43Å
51	L	37	Very low	35.1	Very low	90 Å²	90	89.1 Å²	89.1	47%	0.471	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.9	102.9	162.8	-78.1	167	0	0	0	107.2	L20 V21 E53	L20-L51 HydrophobicContact CD2-CB 4.49Å; V21-L51 PolarHBondContact N-O 3Å; V21-L51 VanDerWaalsContact O-O 3.11Å; L51-E53 PolarHBondContact O-N 3.17Å
52	V	33.4	Very low	34.9	Very low	64 Å²	64	86 Å²	86	39%	0.388	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.2	107.7	166.6	-178.2	0	0	0	0	106.8	V21 A27 G50 S54	V21-V52 WeakPolarHBondContact O-CA 3.06Å; A27-V52 HydrophobicContact CB-CG2 4.12Å; G50-V52 PolarHBondContact O-N 3.43Å; V52-S54 PolarHBondContact O-N 2.79Å; V52-S54 VanDerWaalsContact O-N 3.08Å
53	E	40	Very low	34.9	Very low	109 Å²	109	88.7 Å²	88.7	51%	0.509	55%	0.545	S	S	.	.			trans	-69.5	101.8	164.7	-84.5	-175.8	165.4	0	0	107.5	L20 V21 L51	L20-E53 VanDerWaalsContact CD2-CD 3.5Å; L20-E53 HydrophobicContact CD2-CG 3.61Å; V21-E53 PolarHBondContact O-N 3.38Å; L51-E53 PolarHBondContact O-N 3.17Å
54	S	37.1	Very low	35.2	Very low	93 Å²	93	83.4 Å²	83.4	65%	0.65	53%	0.53	S	S	*	.			trans	-60.5	126.9	160.3	-58.3	0	0	0	0	107.2	V52 I56	V52-S54 PolarHBondContact O-N 2.79Å; V52-S54 VanDerWaalsContact O-N 3.08Å; S54-I56 PolarHBondContact O-N 2.92Å
55	P	34.1	Very low	35.8	Very low	111 Å²	111	86 Å²	86	72%	0.721	54%	0.535	S	S	*	.			trans	-58	114.1	175.4	22.6	-30.7	0	0	0	107.6	V57	P55-V57 VanDerWaalsContact C-N 3.26Å; P55-V57 PolarHBondContact O-N 3.41Å
56	I	38.1	Very low	36.2	Very low	132 Å²	132	85.4 Å²	85.4	68%	0.677	52%	0.519	S	S	*	.			trans	-68.5	97.2	169.9	-59.8	174.9	0	0	0	105	S54 G58	S54-I56 PolarHBondContact O-N 2.92Å; I56-G58 PolarHBondContact O-N 2.98Å
57	V	33.6	Very low	36.6	Very low	142 Å²	142	87.1 Å²	87.1	86%	0.861	54%	0.535	S	S	*	.	S	Bend	trans	-58.8	106.6	165.8	177.5	0	0	0	0	106.6	P55	P55-V57 VanDerWaalsContact C-N 3.26Å; P55-V57 PolarHBondContact O-N 3.41Å
58	G	28.8	Very low	36.9	Very low	70 Å²	70	91 Å²	91	72%	0.722	55%	0.553	S	S	*	*	S	Bend	trans	94.7	95.8	168.5	0	0	0	0	0	115.3	I56	I56-G58 PolarHBondContact O-N 2.98Å
59	G	31.9	Very low	37	Very low	57 Å²	57	97 Å²	97	59%	0.588	57%	0.571	S	S	*	*			trans	147.8	101.1	164.4	0	0	0	0	0	111.1	I61	G59-I61 PolarHBondContact O-N 3.38Å
60	S	32.4	Very low	37.1	Very low	112 Å²	112	98.7 Å²	98.7	78%	0.783	58%	0.582	S	S	*	*			trans	-50.6	105.8	175.6	55.9	0	0	0	0	110.6	D62	S60-D62 PolarHBondContact O-N 2.79Å
61	I	38.3	Very low	37.1	Very low	78 Å²	78	101.4 Å²	101.4	40%	0.4	59%	0.587	S	S	.	*			trans	-82.4	98.8	164.3	-60.2	175.8	0	0	0	104.6	G59 E63 Q65	G59-I61 PolarHBondContact O-N 3.38Å; I61-E63 PolarHBondContact O-N 2.66Å; I61-Q65 HydrophobicContact CG2-CB 4Å
62	D	37.5	Very low	37	Very low	102 Å²	102	107.1 Å²	107.1	55%	0.545	60%	0.602	S	S	.	*			trans	-47.5	135.2	170	-87.3	-39.3	0	0	0	109.4	S60 S64 Q65	S60-D62 PolarHBondContact O-N 2.79Å; D62-S64 WeakPolarHBondContact CB-OG 3.47Å; D62-S64 PolarHBondContact O-N 3.36Å; D62-Q65 PolarHBondContact O-N 3.14Å
63	E	44.1	Very low	37.3	Very low	167 Å²	167	109.4 Å²	109.4	78%	0.78	62%	0.616	S	S	*	*	H	α-helix	trans	-52.2	-23.1	176.2	-66.8	179.9	142.5	0	0	112.2	I61 Q66 A67	I61-E63 PolarHBondContact O-N 2.66Å; E63-Q66 PolarHBondContact O-N 3.11Å; E63-A67 PolarHBondContact O-N 3.08Å
64	S	40.6	Very low	37.2	Very low	79 Å²	79	114.2 Å²	114.2	55%	0.552	63%	0.63	S	S	*	*	H	α-helix	trans	-68.4	-28.1	173.7	64.6	0	0	0	0	114.2	D62 N68	D62-S64 WeakPolarHBondContact CB-OG 3.47Å; D62-S64 PolarHBondContact O-N 3.36Å; S64-N68 PolarHBondContact O-N 3.46Å
65	Q	42.9	Very low	37.2	Very low	109 Å²	109	119.9 Å²	119.9	51%	0.509	64%	0.637	S	S	.	*	H	α-helix	trans	-78.9	-30.5	173.4	-69	-157.1	14.7	0	0	112.6	I61 D62 N68 R69	I61-Q65 HydrophobicContact CG2-CB 4Å; D62-Q65 PolarHBondContact O-N 3.14Å; Q65-N68 PolarHBondContact O-N 2.9Å; Q65-R69 PolarHBondContact O-N 3.45Å
66	Q	39.7	Very low	37.5	Very low	108 Å²	108	120.1 Å²	120.1	51%	0.505	64%	0.637	S	S	.	*	H	α-helix	trans	-69.8	-45.5	177.8	-158.1	162.6	12.8	0	0	110.4	E63 N68 R69 T70	E63-Q66 PolarHBondContact O-N 3.11Å; Q66-N68 VanDerWaalsContact C-N 3.27Å; Q66-N68 PolarHBondContact O-N 3.38Å; Q66-R69 PolarHBondContact O-N 2.9Å; Q66-R69 VanDerWaalsContact O-N 3.17Å; Q66-T70 PolarHBondContact O-N 2.98Å; Q66-T70 PolarHBondContact O-OG1 3.08Å
67	A	39.8	Very low	37.5	Very low	55 Å²	55	119.7 Å²	119.7	46%	0.455	64%	0.636	S	S	.	*	H	α-helix	trans	-59.4	-36.9	173.6	0	0	0	0	0	112.9	E63 T70 N71	E63-A67 PolarHBondContact O-N 3.08Å; A67-T70 PolarHBondContact O-N 2.92Å; A67-N71 WeakPolarHBondContact O-CB 3.43Å; A67-N71 PolarHBondContact O-N 3.3Å
68	N	38.7	Very low	37.8	Very low	118 Å²	118	120.2 Å²	120.2	63%	0.631	64%	0.64	S	S	*	*	H	α-helix	trans	-73.2	-31.4	179.1	-132.2	-22.1	0	0	0	112.5	S64 Q65 Q66 R72	S64-N68 PolarHBondContact O-N 3.46Å; Q65-N68 PolarHBondContact O-N 2.9Å; Q66-N68 VanDerWaalsContact C-N 3.27Å; Q66-N68 PolarHBondContact O-N 3.38Å; N68-R72 WeakPolarHBondContact O-CB 3.32Å; N68-R72 PolarHBondContact O-N 3.42Å; N68-R72 VanDerWaalsContact O-N 3.14Å
69	R	37	Very low	38.2	Very low	165 Å²	165	125.2 Å²	125.2	62%	0.623	64%	0.641	S	S	*	*	H	α-helix	trans	-68	-43.7	169.9	-82	-178.4	167.2	170.7	-0.5	111.8	Q65 Q66 N71 R72 V73	Q65-R69 PolarHBondContact O-N 3.45Å; Q66-R69 PolarHBondContact O-N 2.9Å; Q66-R69 VanDerWaalsContact O-N 3.17Å; R69-N71 VanDerWaalsContact C-N 3.32Å; R69-N71 PolarHBondContact O-N 2.88Å; R69-R72 PolarHBondContact O-N 2.8Å; R69-V73 WeakPolarHBondContact O-CG2 3.46Å; R69-V73 PolarHBondContact O-N 2.97Å
70	T	39.9	Very low	38.6	Very low	74 Å²	74	127.2 Å²	127.2	45%	0.454	65%	0.646	S	S	.	*	H	α-helix	trans	-66.9	-33.8	179.9	-39.3	0	0	0	0	112	Q66 A67 R74	Q66-T70 PolarHBondContact O-N 2.98Å; Q66-T70 PolarHBondContact O-OG1 3.08Å; A67-T70 PolarHBondContact O-N 2.92Å; T70-R74 PolarHBondContact O-N 3.3Å
71	N	34.5	Very low	39.2	Very low	94 Å²	94	128 Å²	128	50%	0.503	65%	0.649	S	S	.	*	H	α-helix	trans	-74	-32	173.7	-89.1	-32	0	0	0	113.8	A67 R69 V73 R74 R75	A67-N71 WeakPolarHBondContact O-CB 3.43Å; A67-N71 PolarHBondContact O-N 3.3Å; R69-N71 VanDerWaalsContact C-N 3.32Å; R69-N71 PolarHBondContact O-N 2.88Å; N71-V73 VanDerWaalsContact C-N 3.32Å; N71-R74 PolarHBondContact O-N 3.12Å; N71-R75 PolarHBondContact O-N 3.34Å
72	R	34.4	Very low	39.2	Very low	210 Å²	210	135.5 Å²	135.5	79%	0.792	67%	0.672	S	S	*	*	H	α-helix	trans	-70.3	-30.5	177.4	-155.5	174.5	-170.4	170.9	3.7	112.3	N68 R69	N68-R72 WeakPolarHBondContact O-CB 3.32Å; N68-R72 PolarHBondContact O-N 3.42Å; N68-R72 VanDerWaalsContact O-N 3.14Å; R69-R72 PolarHBondContact O-N 2.8Å
73	V	39.4	Very low	39.2	Very low	113 Å²	113	142.6 Å²	142.6	69%	0.685	69%	0.691	S	S	*	*	H	α-helix	trans	-73.7	-39.5	174.6	176	0	0	0	0	111.2	R69 N71 R75 T76	R69-V73 WeakPolarHBondContact O-CG2 3.46Å; R69-V73 PolarHBondContact O-N 2.97Å; N71-V73 VanDerWaalsContact C-N 3.32Å; V73-R75 VanDerWaalsContact C-N 3.27Å; V73-R75 PolarHBondContact O-N 3.24Å; V73-T76 PolarHBondContact O-OG1 3.42Å
74	R	37.7	Very low	38.9	Very low	209 Å²	209	146 Å²	146	79%	0.789	70%	0.697	S	S	*	*	H	α-helix	trans	-71.6	-12.3	178.9	-82	-178.1	160.9	150.1	-2.9	115.3	T70 N71	T70-R74 PolarHBondContact O-N 3.3Å; N71-R74 PolarHBondContact O-N 3.12Å
75	R	38.5	Very low	38.8	Very low	212 Å²	212	152.4 Å²	152.4	80%	0.8	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	12.2	-175.8	-91.1	-177	162.8	168.5	-3.6	115.6	N71 V73 D77	N71-R75 PolarHBondContact O-N 3.34Å; V73-R75 VanDerWaalsContact C-N 3.27Å; V73-R75 PolarHBondContact O-N 3.24Å; R75-D77 VanDerWaalsContact C-N 3.31Å; R75-D77 PolarHBondContact O-N 3.43Å
76	T	39.6	Very low	38.9	Very low	117 Å²	117	157.8 Å²	157.8	72%	0.718	73%	0.725	S	S	*	*	S	Bend	trans	-77.7	90.7	168.4	26.9	0	0	0	0	109.7	V73	V73-T76 PolarHBondContact O-OG1 3.42Å
77	D	37.6	Very low	39.3	Very low	123 Å²	123	157.7 Å²	157.7	66%	0.658	73%	0.732	S	S	*	*			trans	-23.9	128.1	171.3	-74.7	-49.4	0	0	0	115	R75 K79	R75-D77 VanDerWaalsContact C-N 3.31Å; R75-D77 PolarHBondContact O-N 3.43Å; D77-K79 HydrophobicContact CB-CG 4.42Å; D77-K79 PolarHBondContact O-N 2.98Å
78	T	40.3	Very low	39.4	Very low	153 Å²	153	164.4 Å²	164.4	94%	0.939	75%	0.745	S	S	*	*			trans	-64.3	32.2	165.6	40.9	0	0	0	0	113.6	S80	T78-S80 PolarHBondContact O-N 3.29Å; T78-S80 VanDerWaalsContact O-N 3.12Å
79	K	37.5	Very low	40	Very low	175 Å²	175	164.3 Å²	164.3	76%	0.761	75%	0.745	S	S	*	*			trans	-77.9	98.9	166.5	-76.4	-178.4	-179.2	171.4	0	108.3	D77	D77-K79 HydrophobicContact CB-CG 4.42Å; D77-K79 PolarHBondContact O-N 2.98Å
80	S	40.5	Very low	40.3	Very low	99 Å²	99	166 Å²	166	69%	0.692	75%	0.751	S	S	*	*			trans	2.2	120.2	158.1	177.7	0	0	0	0	114.7	T78 R82	T78-S80 PolarHBondContact O-N 3.29Å; T78-S80 VanDerWaalsContact O-N 3.12Å; S80-R82 PolarHBondContact O-N 3.42Å
81	P	45.1	Very low	40.9	Very low	129 Å²	129	166 Å²	166	84%	0.838	75%	0.754	S	S	*	*			trans	-66.3	86.9	176.4	26.8	-31.5	0	0	0	109.8	R83	P81-R83 PolarHBondContact O-N 3.21Å
82	R	38.2	Very low	41.5	Very low	234 Å²	234	163.5 Å²	163.5	88%	0.883	74%	0.74	S	S	*	*			trans	-62.4	110.5	164.2	-133.9	178	-174.9	153.9	0.4	105.8	S80 R84	S80-R82 PolarHBondContact O-N 3.42Å; R82-R84 PolarHBondContact O-N 3.32Å
83	R	37.2	Very low	42.2	Very low	251 Å²	251	161 Å²	161	95%	0.947	74%	0.735	S	S	*	*			trans	-25	86.3	173.8	-70.3	178.9	170.5	-171.6	-2	113.4	P81	P81-R83 PolarHBondContact O-N 3.21Å
84	R	37.9	Very low	42.8	Very low	239 Å²	239	164.5 Å²	164.5	90%	0.902	74%	0.741	S	S	*	*			trans	-105.9	95.4	158.8	-86.2	-162.3	177.3	-134.2	2.2	108	R82	R82-R84 PolarHBondContact O-N 3.32Å
85	R	37.8	Very low	43.3	Very low	213 Å²	213	164 Å²	164	80%	0.804	74%	0.739	S	S	*	*			trans	-50	130.7	169.4	-82.1	176.7	163.8	-163.3	-3.3	110.6	T87	R85-T87 PolarHBondContact O-N 2.77Å
86	R	45.6	Very low	43.7	Very low	223 Å²	223	159.3 Å²	159.3	84%	0.842	72%	0.723	S	S	*	*	S	Bend	trans	69.3	23.4	137.9	-62.3	-174.5	175.8	-171	-1.9	120.8
87	T	47.4	Very low	43.9	Very low	106 Å²	106	159.5 Å²	159.5	65%	0.65	73%	0.726	S	S	*	*	S	Bend	trans	-111.8	-27.6	168.9	51.5	0	0	0	0	114.7	R85 D89	R85-T87 PolarHBondContact O-N 2.77Å; T87-D89 PolarHBondContact O-N 3.38Å
88	W	43.5	Very low	44.1	Very low	196 Å²	196	158.5 Å²	158.5	74%	0.742	73%	0.728	S	S	*	*	H	α-helix	trans	-69.6	-33.5	-175.3	-156.6	-69.5	0	0	0	113.3	R90 S91 L92	W88-R90 VanDerWaalsContact C-N 3.33Å; W88-R90 PolarHBondContact O-N 3.49Å; W88-S91 PolarHBondContact O-N 3.35Å; W88-L92 VanDerWaalsContact CD1-CD1 3.46Å; W88-L92 PolarHBondContact O-N 3.13Å
89	D	50.2	Low	44.2	Very low	116 Å²	116	156 Å²	156	62%	0.62	70%	0.702	S	S	*	*	H	α-helix	trans	-66.4	-31.4	-174.3	-155.9	12.6	0	0	0	113.1	T87 K93	T87-D89 PolarHBondContact O-N 3.38Å; D89-K93 WeakPolarHBondContact O-CB 3.24Å; D89-K93 PolarHBondContact O-N 3.03Å
90	R	44	Very low	44.4	Very low	201 Å²	201	151.7 Å²	151.7	76%	0.758	69%	0.691	S	S	*	*	H	α-helix	trans	-75.8	-34.9	177.6	-82.5	-177.1	178.2	176.2	-1	113.4	W88 K94	W88-R90 VanDerWaalsContact C-N 3.33Å; W88-R90 PolarHBondContact O-N 3.49Å; R90-K94 WeakPolarHBondContact O-CB 3.49Å; R90-K94 WeakPolarHBondContact O-CG 3.03Å; R90-K94 PolarHBondContact O-N 3.48Å; R90-K94 VanDerWaalsContact O-N 3.15Å
91	S	51.8	Low	44.4	Very low	74 Å²	74	149.7 Å²	149.7	52%	0.517	68%	0.675	S	S	.	*	H	α-helix	trans	-73.2	-34.6	-177.6	-69.9	0	0	0	0	112.1	W88 R95	W88-S91 PolarHBondContact O-N 3.35Å; S91-R95 PolarHBondContact O-N 3.18Å
92	L	48.5	Very low	44.1	Very low	40 Å²	40	145.6 Å²	145.6	21%	0.209	64%	0.643	C	S	.	*	H	α-helix	trans	-73.4	-43.3	175.1	-74.9	175.6	0	0	0	111.7	W88 K94 R95 Y96 Y99	W88-L92 VanDerWaalsContact CD1-CD1 3.46Å; W88-L92 PolarHBondContact O-N 3.13Å; L92-K94 VanDerWaalsContact C-N 3.25Å; L92-K94 PolarHBondContact O-N 2.85Å; L92-R95 PolarHBondContact O-N 3.4Å; L92-R95 VanDerWaalsContact O-N 3.09Å; L92-Y96 HydrophobicContact CD2-CD2 4.13Å; L92-Y96 HydrophobicContact CD2-CE2 4.38Å; L92-Y96 WeakPolarHBondContact O-CA 2.8Å; L92-Y96 PolarHBondContact O-N 3.39Å; L92-Y99 HydrophobicContact CB-CD1 4.47Å; L92-Y99 HydrophobicContact CD1-CE1 4.08Å; L92-Y99 HydrophobicContact CD1-CE2 4.39Å
93	K	47.8	Very low	44.1	Very low	157 Å²	157	140.7 Å²	140.7	68%	0.683	63%	0.629	S	S	*	*	H	α-helix	trans	-63.1	-30	177.2	-162.4	168.6	-172.6	172.8	0	113.4	D89	D89-K93 WeakPolarHBondContact O-CB 3.24Å; D89-K93 PolarHBondContact O-N 3.03Å
94	K	52.4	Low	44.1	Very low	187 Å²	187	130 Å²	130	81%	0.813	59%	0.592	S	S	*	*	H	α-helix	trans	-72.9	-33.3	172.9	-82.6	-171.7	175.8	-170	0	113.8	R90 L92	R90-K94 WeakPolarHBondContact O-CB 3.49Å; R90-K94 WeakPolarHBondContact O-CG 3.03Å; R90-K94 PolarHBondContact O-N 3.48Å; R90-K94 VanDerWaalsContact O-N 3.15Å; L92-K94 VanDerWaalsContact C-N 3.25Å; L92-K94 PolarHBondContact O-N 2.85Å
95	R	49.1	Very low	43.8	Very low	198 Å²	198	125.2 Å²	125.2	75%	0.747	57%	0.574	S	S	*	*	H	α-helix	trans	-90.5	-25.2	-180	-75.5	-175.1	-168.4	-146.7	-0.5	113.2	S91 L92	S91-R95 PolarHBondContact O-N 3.18Å; L92-R95 PolarHBondContact O-N 3.4Å; L92-R95 VanDerWaalsContact O-N 3.09Å
96	Y	45	Very low	43.6	Very low	115 Å²	115	118 Å²	118	45%	0.451	56%	0.555	S	S	.	*			trans	-142.1	83.8	-172.7	-56.8	-76.1	0	0	0	108.7	L92 S98 Y99	L92-Y96 HydrophobicContact CD2-CD2 4.13Å; L92-Y96 HydrophobicContact CD2-CE2 4.38Å; L92-Y96 WeakPolarHBondContact O-CA 2.8Å; L92-Y96 PolarHBondContact O-N 3.39Å; Y96-S98 PolarHBondContact O-N 2.95Å; Y96-S98 VanDerWaalsContact O-N 3.14Å; Y96-Y99 VanDerWaalsContact O-CB 3.29Å; Y96-Y99 WeakPolarHBondContact O-CB 3Å; Y96-Y99 PolarHBondContact O-N 2.92Å
97	P	44.4	Very low	43.1	Very low	120 Å²	120	117.7 Å²	117.7	78%	0.779	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-18.9	176.7	23.2	-31.5	0	0	0	112.7
98	S	42.5	Very low	42.9	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	6.2	175	49.8	0	0	0	0	114.6	Y96 V100	Y96-S98 PolarHBondContact O-N 2.95Å; Y96-S98 VanDerWaalsContact O-N 3.14Å; S98-V100 PolarHBondContact O-N 3.3Å
99	Y	41.2	Very low	42.9	Very low	101 Å²	101	114.2 Å²	114.2	40%	0.396	55%	0.55	S	S	.	.			trans	-71.1	115	-179.7	-177.6	-99.6	0	0	0	111.8	L92 Y96 P101	L92-Y99 HydrophobicContact CB-CD1 4.47Å; L92-Y99 HydrophobicContact CD1-CE1 4.08Å; L92-Y99 HydrophobicContact CD1-CE2 4.39Å; Y96-Y99 VanDerWaalsContact O-CB 3.29Å; Y96-Y99 WeakPolarHBondContact O-CB 3Å; Y96-Y99 PolarHBondContact O-N 2.92Å; Y99-P101 HydrophobicContact CE1-CB 4.13Å; Y99-P101 HydrophobicContact CE1-CG 4.37Å
100	V	42.7	Very low	42.5	Very low	85 Å²	85	114.1 Å²	114.1	52%	0.515	55%	0.546	S	S	.	.			trans	-120.3	120.2	171.1	-177.8	0	0	0	0	107.3	V49 S98	V49-V100 WeakPolarHBondContact CG2-O 3.08Å; S98-V100 PolarHBondContact O-N 3.3Å
101	P	39.7	Very low	42.4	Very low	57 Å²	57	109 Å²	109	37%	0.37	53%	0.533	S	S	.	.			trans	-76.2	134.5	-179.2	25.4	-30.3	0	0	0	113.4	S47 Y99 F103	S47-P101 WeakPolarHBondContact CB-O 3.15Å; S47-P101 PolarHBondContact OG-O 3.36Å; Y99-P101 HydrophobicContact CE1-CB 4.13Å; Y99-P101 HydrophobicContact CE1-CG 4.37Å; P101-F103 HydrophobicContact CB-CE2 4.3Å
102	Y	39.9	Very low	41.8	Very low	42 Å²	42	111.2 Å²	111.2	17%	0.165	53%	0.534	C	S	.	.			trans	-95.1	139	171.7	-156.3	-171	0	0	0	113.2	Y16 S46 S47 V48	Y16-Y102 WeakPolarHBondContact CE1-O 3.5Å; S46-Y102 VanDerWaalsContact C-CE2 3.48Å; S46-Y102 WeakPolarHBondContact CB-OH 3.36Å; S47-Y102 VanDerWaalsContact CA-CD2 3.43Å; S47-Y102 WeakPolarHBondContact O-CA 3.43Å; S47-Y102 WeakPolarHBondContact O-CB 3.45Å; S47-Y102 WeakPolarHBondContact O-CD2 3.45Å; S47-Y102 WeakPolarHBondContact OG-CA 3.38Å; S47-Y102 WeakPolarHBondContact OG-CD2 3.35Å; V48-Y102 HydrophobicContact CG2-CD1 4.41Å; V48-Y102 HydrophobicContact CG2-CE1 3.9Å
103	F	38.6	Very low	41.3	Very low	131 Å²	131	115.9 Å²	115.9	58%	0.575	56%	0.556	S	S	*	*			trans	-127.6	122.5	162.3	-60	-83	0	0	0	110.1	Y14 Y16 P101	Y14-F103 HydrophobicContact CE1-CB 4.5Å; Y16-F103 WeakPolarHBondContact OH-CD1 3.4Å; P101-F103 HydrophobicContact CB-CE2 4.3Å
104	S	35.8	Very low	40.9	Very low	26 Å²	26	113 Å²	113	18%	0.182	55%	0.547	C	S	.	.			trans	-123.2	117.3	176.2	-170.5	0	0	0	0	113.3	Y14 M40	Y14-S104 WeakPolarHBondContact CD1-O 3.39Å; M40-S104 WeakPolarHBondContact CE-OG 3.4Å
105	R	31.1	Very low	40	Very low	140 Å²	140	107.3 Å²	107.3	53%	0.528	53%	0.527	S	S	.	.			trans	-75.5	120.3	-175.6	-140.6	-176.5	-150.5	178.4	10.3	109.4	R12 Y14	R12-R105 VanDerWaalsContact CZ-CZ 3.42Å; R12-R105 VanDerWaalsContact CZ-NH2 3.25Å; Y14-R105 HydrophobicContact CE1-CB 4.06Å; Y14-R105 HydrophobicContact CE1-CG 4.14Å
106	C	35.5	Very low	39.2	Very low	60 Å²	60	99.8 Å²	99.8	41%	0.405	51%	0.508	S	S	.	.			trans	-69.6	129.3	167.5	-67.4	0	0	0	0	110	H13	H13-C106 WeakPolarHBondContact O-CB 3.49Å; H13-C106 PolarHBondContact O-SG 3.32Å
107	Q	34.4	Very low	38.7	Very low	218 Å²	218	98.4 Å²	98.4	100%	1.019	51%	0.513	S	S	*	.			trans	-91.8	0	164.6	-68.1	-169.5	19.9	0	0	109.4	Y7	Y7-Q107 PolarHBondContact OH-OXT 3.33Å

Retrieved 107 of 107 residues in 40.3 ms (Link to these results)

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