A0A077ZEB4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 137 aa.

						>A0A077ZEB4_TRITR|A0A077ZEB4
MIPEFRLQSHVSSRRGLKSPVLENEDLRAAVQAQLNITIQTSVADVGPSHTNIHLNPIGKVRMTKSVSEVPFVATTPKILIVKSMQLDTDILYHLTYSFGLFPNHYRLHGNFDSFVRDHVQDNPEGQRPRVCINLVS
					

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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	33.2	Very low	29.4	Very low	228 Å²	228	100.1 Å²	100.1	100%	1.123	50%	0.495	S	S	*	.				0	117.1	0	-163.5	168.6	-178.4	0	0	106.6
2	I	27.9	Very low	29.4	Very low	113 Å²	113	96.1 Å²	96.1	58%	0.579	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-85.3	122.7	178.9	-58.6	172.8	0	0	0	106.2
3	P	28.6	Very low	29.1	Very low	38 Å²	38	96.1 Å²	96.1	25%	0.247	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-62.8	137.2	173.7	22	-28.2	0	0	0	110.1	F5 Y106	P3-F5 HydrophobicContact CB-CE1 4.47Å; P3-F5 HydrophobicContact CB-CE2 4.03Å; P3-F5 HydrophobicContact CB-CZ 3.66Å; P3-F5 HydrophobicContact CG-CE2 3.99Å; P3-F5 HydrophobicContact CG-CZ 3.69Å; P3-F5 WeakPolarHBondContact O-CE2 3.14Å; P3-Y106 HydrophobicContact CG-CD1 4.05Å; P3-Y106 HydrophobicContact CG-CE1 3.99Å
4	E	27.8	Very low	29.2	Very low	125 Å²	125	104.8 Å²	104.8	58%	0.584	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.7	176.7	-71.3	-171.5	162.9	0	0	110.3
5	F	31.3	Very low	29.1	Very low	10 Å²	10	114.7 Å²	114.7	4%	0.044	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	177.3	-55.2	-79.7	0	0	0	110.2	P3 Y106 R107 L108 H109 L135	P3-F5 HydrophobicContact CB-CE1 4.47Å; P3-F5 HydrophobicContact CB-CE2 4.03Å; P3-F5 HydrophobicContact CB-CZ 3.66Å; P3-F5 HydrophobicContact CG-CE2 3.99Å; P3-F5 HydrophobicContact CG-CZ 3.69Å; P3-F5 WeakPolarHBondContact O-CE2 3.14Å; F5-Y106 HydrophobicContact CD2-CD1 4.12Å; F5-Y106 HydrophobicContact CD2-CG 4.26Å; F5-Y106 HydrophobicContact CE1-CD1 4.25Å; F5-Y106 HydrophobicContact CE1-CE1 4.4Å; F5-Y106 VanDerWaalsContact CE2-CB 3.47Å; F5-Y106 AromaticContact CE2-CD1 3.02Å; F5-Y106 HydrophobicContact CE2-CD1 3.02Å; F5-Y106 AromaticContact CE2-CE1 3.87Å; F5-Y106 HydrophobicContact CE2-CE1 3.87Å; F5-Y106 AromaticContact CE2-CG 3.55Å; F5-Y106 HydrophobicContact CE2-CG 3.55Å; F5-Y106 AromaticContact CZ-CD1 3.08Å; F5-Y106 HydrophobicContact CZ-CD1 3.08Å; F5-Y106 AromaticContact CZ-CE1 3.41Å; F5-Y106 HydrophobicContact CZ-CE1 3.41Å; F5-Y106 VanDerWaalsContact CZ-CE1 3.41Å; F5-Y106 AromaticContact CZ-CG 3.88Å; F5-Y106 HydrophobicContact CZ-CG 3.88Å; F5-R107 PolarHBondContact N-O 3.37Å; F5-L108 HydrophobicContact CB-CD2 4.36Å; F5-H109 PolarHBondContact O-N 3.35Å; F5-H109 VanDerWaalsContact O-N 3.16Å; F5-L135 HydrophobicContact CD1-CD2 3.62Å; F5-L135 HydrophobicContact CE1-CB 4.44Å; F5-L135 HydrophobicContact CE1-CD2 3.3Å; F5-L135 HydrophobicContact CE1-CG 4.44Å; F5-L135 HydrophobicContact CZ-CD2 4.47Å
6	R	28.9	Very low	28.9	Very low	176 Å²	176	112.4 Å²	112.4	66%	0.664	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97	119.5	163.1	-80.1	-171.1	-177.6	-177.6	2.4	109.1	Q8 N134	R6-Q8 PolarHBondContact O-N 3.46Å; R6-N134 PolarHBondContact O-N 3.11Å
7	L	29	Very low	28.9	Very low	36 Å²	36	114.4 Å²	114.4	19%	0.188	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.5	118.1	161.9	-69.8	162.6	0	0	0	107.3	L108 V131 I133	L7-L108 HydrophobicContact CD1-CB 4.16Å; L7-L108 HydrophobicContact CD1-CD2 3.94Å; L7-L108 HydrophobicContact CD1-CG 4.44Å; L7-L108 HydrophobicContact CD2-CD2 4.12Å; L7-L108 HydrophobicContact CG-CD2 3.97Å; L7-V131 HydrophobicContact CD2-CG1 3.32Å; L7-I133 HydrophobicContact CD2-CG1 3.99Å
8	Q	29.3	Very low	28.8	Very low	102 Å²	102	119.3 Å²	119.3	48%	0.477	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	112.3	165.1	-77.6	-176.8	-15	0	0	107.1	R6 C132 N134	R6-Q8 PolarHBondContact O-N 3.46Å; Q8-C132 PolarHBondContact N-O 3.25Å; Q8-C132 WeakPolarHBondContact O-CA 3.27Å; Q8-C132 VanDerWaalsContact O-CB 3.26Å; Q8-C132 WeakPolarHBondContact O-CB 3.28Å; Q8-C132 PolarHBondContact O-N 3.15Å; Q8-N134 PolarHBondContact OE1-ND2 3.27Å
9	S	30.2	Very low	28.7	Very low	61 Å²	61	117.1 Å²	117.1	43%	0.427	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	129.9	168.2	54.9	0	0	0	0	108.4
10	H	30.7	Very low	28.6	Very low	120 Å²	120	115.4 Å²	115.4	56%	0.556	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.8	105.3	165.9	-127.7	-81.3	0	0	0	106.4	S12 R130	H10-S12 PolarHBondContact O-N 3.5Å; H10-S12 VanDerWaalsContact O-N 3.08Å; H10-R130 PolarHBondContact N-O 2.86Å
11	V	26.5	Very low	28.6	Very low	92 Å²	92	116.4 Å²	116.4	56%	0.558	60%	0.601	S	S	*	*			trans	-71.6	106.6	174.8	-174.5	0	0	0	0	106.8
12	S	29.4	Very low	28.6	Very low	52 Å²	52	108.4 Å²	108.4	36%	0.364	56%	0.563	S	S	.	*			trans	-114.4	114.8	173.9	-63.3	0	0	0	0	108.3	H10 R14	H10-S12 PolarHBondContact O-N 3.5Å; H10-S12 VanDerWaalsContact O-N 3.08Å; S12-R14 PolarHBondContact O-N 2.83Å; S12-R14 VanDerWaalsContact O-N 3.16Å
13	S	25.1	Very low	28.9	Very low	96 Å²	96	110.3 Å²	110.3	67%	0.671	57%	0.569	S	S	*	*			trans	-70.4	103.8	-179.6	56.7	0	0	0	0	111
14	R	31.2	Very low	29.4	Very low	218 Å²	218	114.1 Å²	114.1	82%	0.823	59%	0.587	S	S	*	*			trans	-103.5	104.3	158.8	-100.7	-171.3	180	-164.2	0.9	108.7	S12	S12-R14 PolarHBondContact O-N 2.83Å; S12-R14 VanDerWaalsContact O-N 3.16Å
15	R	26.9	Very low	29.9	Very low	253 Å²	253	115.9 Å²	115.9	96%	0.955	60%	0.596	S	S	*	*			trans	-66.8	130.6	165.6	-73.5	-177.7	-177.9	-177.7	0.2	108.5
16	G	26.3	Very low	30.2	Very low	79 Å²	79	120 Å²	120	81%	0.814	62%	0.618	S	S	*	*			trans	119.5	18.4	152.9	0	0	0	0	0	119.5
17	L	28.3	Very low	30.7	Very low	146 Å²	146	112.8 Å²	112.8	76%	0.764	59%	0.593	S	S	*	*			trans	-105.9	104.4	168.2	-86.6	130.8	0	0	0	110.3	S19	L17-S19 PolarHBondContact O-N 3.11Å
18	K	26.9	Very low	31.1	Very low	203 Å²	203	117.5 Å²	117.5	88%	0.883	61%	0.608	S	S	*	*			trans	-59	120.8	164.5	-74.7	-177	176.1	-178.3	0	107.3	P20	K18-P20 WeakPolarHBondContact O-CD 3.16Å
19	S	27.5	Very low	31.8	Very low	76 Å²	76	115.5 Å²	115.5	53%	0.531	61%	0.609	S	S	.	*			trans	-68.8	111.2	177.1	-164.3	0	0	0	0	109.3	L17 V21 R128	L17-S19 PolarHBondContact O-N 3.11Å; S19-V21 PolarHBondContact O-N 3.38Å; S19-R128 PolarHBondContact OG-NH2 2.84Å
20	P	27.6	Very low	32.3	Very low	83 Å²	83	114.6 Å²	114.6	54%	0.539	61%	0.605	S	S	.	*			trans	-68.3	131.1	156.1	26	-20	0	0	0	106.4	K18 L22	K18-P20 WeakPolarHBondContact O-CD 3.16Å; P20-L22 HydrophobicContact CB-CD2 4.46Å; P20-L22 HydrophobicContact CG-CD2 4.05Å; P20-L22 HydrophobicContact CG-CG 4.12Å; P20-L22 PolarHBondContact O-N 2.89Å
21	V	28.3	Very low	32.9	Very low	137 Å²	137	109.2 Å²	109.2	83%	0.83	58%	0.581	S	S	*	*			trans	-61.8	93.4	160.8	175.6	0	0	0	0	104.5	S19 E23	S19-V21 PolarHBondContact O-N 3.38Å; V21-E23 PolarHBondContact O-N 3.39Å; V21-E23 VanDerWaalsContact O-N 3.11Å
22	L	33.1	Very low	33.8	Very low	61 Å²	61	109.4 Å²	109.4	32%	0.319	58%	0.575	S	S	.	*			trans	-70.7	108.2	-179.8	-72.3	165	0	0	0	106	P20 D26 L27	P20-L22 HydrophobicContact CB-CD2 4.46Å; P20-L22 HydrophobicContact CG-CD2 4.05Å; P20-L22 HydrophobicContact CG-CG 4.12Å; P20-L22 PolarHBondContact O-N 2.89Å; L22-D26 HydrophobicContact CB-CB 4.29Å; L22-D26 HydrophobicContact CD2-CB 3.68Å; L22-L27 HydrophobicContact CB-CB 3.81Å; L22-L27 HydrophobicContact CB-CD1 3.75Å; L22-L27 HydrophobicContact CB-CG 3.8Å; L22-L27 HydrophobicContact CD1-CD1 4.49Å; L22-L27 HydrophobicContact CD1-CG 4.07Å
23	E	34.3	Very low	34.5	Very low	152 Å²	152	109.1 Å²	109.1	71%	0.71	58%	0.576	S	S	*	*			trans	-57.9	152.2	170.5	-64.2	-168.1	165	0	0	108.8	V21 E25 D26 L27	V21-E23 PolarHBondContact O-N 3.39Å; V21-E23 VanDerWaalsContact O-N 3.11Å; E23-E25 PolarHBondContact O-N 2.85Å; E23-D26 PolarHBondContact O-N 3.46Å; E23-L27 PolarHBondContact O-N 3.38Å; E23-L27 VanDerWaalsContact O-N 3.11Å
24	N	39.7	Very low	35.4	Very low	119 Å²	119	109.2 Å²	109.2	64%	0.636	57%	0.566	S	S	*	*	H	α-helix	trans	-50.9	-26.3	-163.9	-135	-37.1	0	0	0	114.5	R28	N24-R28 VanDerWaalsContact O-CG 3.28Å; N24-R28 WeakPolarHBondContact O-CG 3.31Å; N24-R28 PolarHBondContact O-N 3.06Å
25	E	38.1	Very low	36	Very low	161 Å²	161	100.3 Å²	100.3	75%	0.752	53%	0.534	S	S	*	.	H	α-helix	trans	-80.5	-43.5	175.4	-65.6	-160.8	149.6	0	0	113.8	E23 L27 R28 A29	E23-E25 PolarHBondContact O-N 2.85Å; E25-L27 PolarHBondContact O-N 3.3Å; E25-R28 PolarHBondContact O-N 3.21Å; E25-A29 PolarHBondContact O-N 2.86Å
26	D	36.7	Very low	36.6	Very low	97 Å²	97	91.4 Å²	91.4	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-63.4	-36.6	176.7	-71.1	-30	0	0	0	110.9	L22 E23 A29 A30	L22-D26 HydrophobicContact CB-CB 4.29Å; L22-D26 HydrophobicContact CD2-CB 3.68Å; E23-D26 PolarHBondContact O-N 3.46Å; D26-A29 PolarHBondContact O-N 3.21Å; D26-A30 VanDerWaalsContact O-CB 3.27Å; D26-A30 WeakPolarHBondContact O-CB 3.32Å; D26-A30 PolarHBondContact O-N 3.25Å
27	L	39.5	Very low	37.1	Very low	25 Å²	25	91.9 Å²	91.9	13%	0.131	49%	0.489	C	S	.	.	H	α-helix	trans	-70	-38.8	177.3	-140	155.7	0	0	0	110.9	L22 E23 E25 A30 V31 H94	L22-L27 HydrophobicContact CB-CB 3.81Å; L22-L27 HydrophobicContact CB-CD1 3.75Å; L22-L27 HydrophobicContact CB-CG 3.8Å; L22-L27 HydrophobicContact CD1-CD1 4.49Å; L22-L27 HydrophobicContact CD1-CG 4.07Å; E23-L27 PolarHBondContact O-N 3.38Å; E23-L27 VanDerWaalsContact O-N 3.11Å; E25-L27 PolarHBondContact O-N 3.3Å; L27-A30 PolarHBondContact O-N 2.81Å; L27-V31 HydrophobicContact CD2-CG2 3.91Å; L27-V31 VanDerWaalsContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CB 3.32Å; L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.74Å; L27-H94 WeakPolarHBondContact CD2-CD2 3.46Å
28	R	38.4	Very low	37.5	Very low	135 Å²	135	86.5 Å²	86.5	51%	0.509	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-42.8	170.9	-80.1	177.8	77.9	174.7	4.6	112.1	N24 E25 V31 Q32	N24-R28 VanDerWaalsContact O-CG 3.28Å; N24-R28 WeakPolarHBondContact O-CG 3.31Å; N24-R28 PolarHBondContact O-N 3.06Å; E25-R28 PolarHBondContact O-N 3.21Å; R28-V31 PolarHBondContact O-N 2.77Å; R28-Q32 WeakPolarHBondContact O-CB 3.43Å; R28-Q32 PolarHBondContact O-N 3.3Å
29	A	42.4	Very low	37.7	Very low	59 Å²	59	78 Å²	78	49%	0.488	43%	0.426	S	S	.	.	H	α-helix	trans	-64.5	-41.8	176.7	0	0	0	0	0	111.4	E25 D26 Q32 A33	E25-A29 PolarHBondContact O-N 2.86Å; D26-A29 PolarHBondContact O-N 3.21Å; A29-Q32 PolarHBondContact O-N 2.85Å; A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 2.8Å
30	A	41.8	Very low	37.8	Very low	43 Å²	43	81.1 Å²	81.1	36%	0.355	43%	0.432	S	S	.	.	H	α-helix	trans	-66.4	-45	176.4	0	0	0	0	0	112	D26 L27 Q32 A33 Q34	D26-A30 VanDerWaalsContact O-CB 3.27Å; D26-A30 WeakPolarHBondContact O-CB 3.32Å; D26-A30 PolarHBondContact O-N 3.25Å; L27-A30 PolarHBondContact O-N 2.81Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 3.43Å; A30-A33 PolarHBondContact O-N 3.49Å; A30-Q34 VanDerWaalsContact O-CB 3.25Å; A30-Q34 WeakPolarHBondContact O-CB 3.25Å; A30-Q34 PolarHBondContact O-N 3.37Å
31	V	43	Very low	37.9	Very low	7 Å²	7	81.4 Å²	81.4	4%	0.042	43%	0.433	C	S	.	.	H	α-helix	trans	-62.1	-42.7	174.6	170	0	0	0	0	110.3	L27 R28 Q34 L35 I91 L95	L27-V31 HydrophobicContact CD2-CG2 3.91Å; L27-V31 VanDerWaalsContact O-CB 3.31Å; L27-V31 WeakPolarHBondContact O-CB 3.32Å; L27-V31 WeakPolarHBondContact O-CG2 3.13Å; L27-V31 PolarHBondContact O-N 2.74Å; R28-V31 PolarHBondContact O-N 2.77Å; V31-Q34 PolarHBondContact O-N 3.41Å; V31-L35 HydrophobicContact CG1-CD1 3.64Å; V31-L35 HydrophobicContact CG1-CG 4.27Å; V31-L35 WeakPolarHBondContact O-CB 3.21Å; V31-L35 WeakPolarHBondContact O-CD1 3.13Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.16Å; V31-I91 HydrophobicContact CG1-CG2 4.42Å; V31-I91 HydrophobicContact CG2-CB 4.46Å; V31-I91 HydrophobicContact CG2-CG1 4.08Å; V31-I91 HydrophobicContact CG2-CG2 4.13Å; V31-L95 HydrophobicContact CG1-CD2 4.47Å
32	Q	44.7	Very low	37.9	Very low	95 Å²	95	76.8 Å²	76.8	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-69.3	-37.8	178.4	-171.2	152.9	4.9	0	0	112.2	R28 A29 A30 N36	R28-Q32 WeakPolarHBondContact O-CB 3.43Å; R28-Q32 PolarHBondContact O-N 3.3Å; A29-Q32 PolarHBondContact O-N 2.85Å; A30-Q32 VanDerWaalsContact C-N 3.33Å; A30-Q32 PolarHBondContact O-N 3.43Å; Q32-N36 WeakPolarHBondContact O-CB 3.42Å; Q32-N36 PolarHBondContact O-N 3.28Å; Q32-N36 PolarHBondContact O-ND2 3.49Å
33	A	45.1	Very low	37.7	Very low	46 Å²	46	76.1 Å²	76.1	38%	0.38	41%	0.405	S	S	.	.	H	α-helix	trans	-66.4	-45.9	172.9	0	0	0	0	0	111.3	A29 A30 L35 N36 I37	A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 2.8Å; A30-A33 PolarHBondContact O-N 3.49Å; A33-L35 PolarHBondContact O-N 3.25Å; A33-N36 PolarHBondContact O-N 3.15Å; A33-I37 WeakPolarHBondContact O-CB 3.41Å; A33-I37 WeakPolarHBondContact O-CD1 3.39Å; A33-I37 WeakPolarHBondContact O-CG1 3.17Å; A33-I37 PolarHBondContact O-N 3.09Å
34	Q	42.7	Very low	37.4	Very low	98 Å²	98	72.8 Å²	72.8	46%	0.458	40%	0.404	S	S	.	.	H	α-helix	trans	-64.1	-42.2	178.2	-160.5	83	0.6	0	0	111	A30 V31 T38 I91	A30-Q34 VanDerWaalsContact O-CB 3.25Å; A30-Q34 WeakPolarHBondContact O-CB 3.25Å; A30-Q34 PolarHBondContact O-N 3.37Å; V31-Q34 PolarHBondContact O-N 3.41Å; Q34-T38 VanDerWaalsContact O-CB 3.29Å; Q34-T38 WeakPolarHBondContact O-CB 3.19Å; Q34-T38 PolarHBondContact O-N 3.3Å; Q34-T38 PolarHBondContact O-OG1 2.82Å; Q34-I91 HydrophobicContact CB-CD1 4.4Å; Q34-I91 HydrophobicContact CG-CD1 4.12Å
35	L	44.6	Very low	36.9	Very low	31 Å²	31	74.6 Å²	74.6	16%	0.162	41%	0.413	C	S	.	.	H	α-helix	trans	-66.8	-43.5	174.6	-72.6	170.2	0	0	0	111.2	V31 A33 T38 I39 L55 L95	V31-L35 HydrophobicContact CG1-CD1 3.64Å; V31-L35 HydrophobicContact CG1-CG 4.27Å; V31-L35 WeakPolarHBondContact O-CB 3.21Å; V31-L35 WeakPolarHBondContact O-CD1 3.13Å; V31-L35 WeakPolarHBondContact O-CG 3.4Å; V31-L35 PolarHBondContact O-N 3.16Å; A33-L35 PolarHBondContact O-N 3.25Å; L35-T38 PolarHBondContact O-N 3.35Å; L35-I39 VanDerWaalsContact O-CB 3.22Å; L35-I39 WeakPolarHBondContact O-CB 3.14Å; L35-I39 VanDerWaalsContact O-CD1 3.31Å; L35-I39 WeakPolarHBondContact O-CD1 3.4Å; L35-I39 WeakPolarHBondContact O-CG1 3.36Å; L35-I39 PolarHBondContact O-N 3.3Å; L35-L55 HydrophobicContact CB-CD1 4.11Å; L35-L55 HydrophobicContact CD1-CD1 3.92Å; L35-L95 HydrophobicContact CD1-CD2 4.3Å
36	N	40.2	Very low	36.5	Very low	67 Å²	67	71.5 Å²	71.5	36%	0.358	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-43	176	-82.3	-12.1	0	0	0	111.9	Q32 A33 Q40	Q32-N36 WeakPolarHBondContact O-CB 3.42Å; Q32-N36 PolarHBondContact O-N 3.28Å; Q32-N36 PolarHBondContact O-ND2 3.49Å; A33-N36 PolarHBondContact O-N 3.15Å; N36-Q40 VanDerWaalsContact O-CB 3.26Å; N36-Q40 WeakPolarHBondContact O-CB 3.38Å; N36-Q40 WeakPolarHBondContact O-CG 3.42Å; N36-Q40 PolarHBondContact O-N 3.46Å
37	I	35.6	Very low	36	Very low	89 Å²	89	68.7 Å²	68.7	46%	0.456	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-48.2	175.1	-70.9	163.3	0	0	0	109.5	A33 I39 Q40 T41	A33-I37 WeakPolarHBondContact O-CB 3.41Å; A33-I37 WeakPolarHBondContact O-CD1 3.39Å; A33-I37 WeakPolarHBondContact O-CG1 3.17Å; A33-I37 PolarHBondContact O-N 3.09Å; I37-I39 VanDerWaalsContact C-N 3.34Å; I37-I39 PolarHBondContact O-N 2.9Å; I37-Q40 PolarHBondContact O-N 2.85Å; I37-T41 PolarHBondContact O-N 3.47Å; I37-T41 PolarHBondContact O-OG1 2.98Å
38	T	36.3	Very low	35.6	Very low	33 Å²	33	73.6 Å²	73.6	20%	0.202	43%	0.432	C	S	.	.	H	α-helix	trans	-66.4	-38.4	-176.8	-52	0	0	0	0	111.6	Q34 L35 T41 S42 M85	Q34-T38 VanDerWaalsContact O-CB 3.29Å; Q34-T38 WeakPolarHBondContact O-CB 3.19Å; Q34-T38 PolarHBondContact O-N 3.3Å; Q34-T38 PolarHBondContact O-OG1 2.82Å; L35-T38 PolarHBondContact O-N 3.35Å; T38-T41 VanDerWaalsContact CA-OG1 3.31Å; T38-T41 WeakPolarHBondContact CA-OG1 3.49Å; T38-T41 PolarHBondContact O-OG1 3.01Å; T38-S42 WeakPolarHBondContact O-CB 3.14Å; T38-S42 PolarHBondContact O-N 3.25Å; T38-M85 HydrophobicContact CG2-CE 3.5Å; T38-M85 HydrophobicContact CG2-CG 3.93Å; T38-M85 HydrophobicContact CG2-SD 3.89Å
39	I	32.2	Very low	35.2	Very low	25 Å²	25	71.5 Å²	71.5	13%	0.128	44%	0.439	C	S	.	.	H	α-helix	trans	-64.5	-46.8	172.2	-70.7	163.7	0	0	0	110.1	L35 I37 T41 S42 V43 I53 L55 L80	L35-I39 VanDerWaalsContact O-CB 3.22Å; L35-I39 WeakPolarHBondContact O-CB 3.14Å; L35-I39 VanDerWaalsContact O-CD1 3.31Å; L35-I39 WeakPolarHBondContact O-CD1 3.4Å; L35-I39 WeakPolarHBondContact O-CG1 3.36Å; L35-I39 PolarHBondContact O-N 3.3Å; I37-I39 VanDerWaalsContact C-N 3.34Å; I37-I39 PolarHBondContact O-N 2.9Å; I39-T41 PolarHBondContact O-N 3.46Å; I39-S42 PolarHBondContact O-N 3.34Å; I39-V43 HydrophobicContact CG2-CG2 4.25Å; I39-V43 WeakPolarHBondContact O-CB 3.29Å; I39-V43 WeakPolarHBondContact O-CG2 3.21Å; I39-V43 PolarHBondContact O-N 2.87Å; I39-I53 HydrophobicContact CD1-CG2 4Å; I39-I53 HydrophobicContact CG2-CB 4.3Å; I39-I53 HydrophobicContact CG2-CD1 3.34Å; I39-I53 HydrophobicContact CG2-CG1 4.32Å; I39-L55 HydrophobicContact CD1-CD1 4.36Å; I39-L80 HydrophobicContact CG1-CD2 4.41Å
40	Q	29	Very low	34.5	Very low	140 Å²	140	76.8 Å²	76.8	65%	0.654	45%	0.453	S	S	*	.	H	α-helix	trans	-63.4	-40.9	178.2	-78.6	178.5	-19	0	0	112.5	N36 I37 S42 V43 A44	N36-Q40 VanDerWaalsContact O-CB 3.26Å; N36-Q40 WeakPolarHBondContact O-CB 3.38Å; N36-Q40 WeakPolarHBondContact O-CG 3.42Å; N36-Q40 PolarHBondContact O-N 3.46Å; I37-Q40 PolarHBondContact O-N 2.85Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-V43 PolarHBondContact O-N 3.27Å; Q40-A44 PolarHBondContact O-N 3.07Å; Q40-A44 VanDerWaalsContact O-N 3.14Å
41	T	30.7	Very low	33.9	Very low	89 Å²	89	77.6 Å²	77.6	55%	0.546	45%	0.453	S	S	.	.	H	α-helix	trans	-67.7	-33.8	174.5	42.9	0	0	0	0	112.4	I37 T38 I39 V43 A44	I37-T41 PolarHBondContact O-N 3.47Å; I37-T41 PolarHBondContact O-OG1 2.98Å; T38-T41 VanDerWaalsContact CA-OG1 3.31Å; T38-T41 WeakPolarHBondContact CA-OG1 3.49Å; T38-T41 PolarHBondContact O-OG1 3.01Å; I39-T41 PolarHBondContact O-N 3.46Å; T41-V43 VanDerWaalsContact C-N 3.33Å; T41-A44 PolarHBondContact O-N 3.25Å
42	S	27.9	Very low	33.4	Very low	40 Å²	40	82.7 Å²	82.7	28%	0.28	48%	0.48	S	S	.	.	H	α-helix	trans	-77.6	-19.7	175.8	-166.2	0	0	0	0	112.9	T38 I39 Q40 V46	T38-S42 WeakPolarHBondContact O-CB 3.14Å; T38-S42 PolarHBondContact O-N 3.25Å; I39-S42 PolarHBondContact O-N 3.34Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; S42-V46 VanDerWaalsContact O-CG2 3.31Å; S42-V46 WeakPolarHBondContact O-CG2 3.15Å
43	V	27.8	Very low	32.8	Very low	47 Å²	47	79.4 Å²	79.4	29%	0.285	47%	0.466	S	S	.	.	H	α-helix	trans	-83.2	-22.2	174.3	172.3	0	0	0	0	111.5	I39 Q40 T41 D45 V46	I39-V43 HydrophobicContact CG2-CG2 4.25Å; I39-V43 WeakPolarHBondContact O-CB 3.29Å; I39-V43 WeakPolarHBondContact O-CG2 3.21Å; I39-V43 PolarHBondContact O-N 2.87Å; Q40-V43 PolarHBondContact O-N 3.27Å; T41-V43 VanDerWaalsContact C-N 3.33Å; V43-D45 PolarHBondContact O-N 2.85Å; V43-V46 PolarHBondContact O-N 3.31Å
44	A	29.2	Very low	32.1	Very low	83 Å²	83	82.4 Å²	82.4	69%	0.686	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.1	173.9	0	0	0	0	0	113.2	Q40 T41	Q40-A44 PolarHBondContact O-N 3.07Å; Q40-A44 VanDerWaalsContact O-N 3.14Å; T41-A44 PolarHBondContact O-N 3.25Å
45	D	29	Very low	31.6	Very low	156 Å²	156	80.8 Å²	80.8	83%	0.834	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.7	173.5	-85.7	-23	0	0	0	113.9	V43	V43-D45 PolarHBondContact O-N 2.85Å
46	V	29.6	Very low	30.8	Very low	96 Å²	96	83.4 Å²	83.4	58%	0.582	48%	0.48	S	S	*	.	S	Bend	trans	-120.1	30.9	-173.4	-160.4	0	0	0	0	111.2	S42 V43	S42-V46 VanDerWaalsContact O-CG2 3.31Å; S42-V46 WeakPolarHBondContact O-CG2 3.15Å; V43-V46 PolarHBondContact O-N 3.31Å
47	G	26.6	Very low	30.3	Very low	39 Å²	39	84.1 Å²	84.1	40%	0.402	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	170.3	170.5	0	0	0	0	0	116.1	S49	G47-S49 PolarHBondContact O-N 2.86Å
48	P	30.8	Very low	29.8	Very low	127 Å²	127	86 Å²	86	83%	0.825	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	11.1	-175.4	27.8	-33.6	0	0	0	114.5	H50	P48-H50 PolarHBondContact O-N 3.36Å
49	S	30.3	Very low	29.4	Very low	92 Å²	92	86.2 Å²	86.2	64%	0.643	51%	0.507	S	S	*	.	S	Bend	trans	-83	78	-177.4	-53.8	0	0	0	0	111.5	G47 T51	G47-S49 PolarHBondContact O-N 2.86Å; S49-T51 PolarHBondContact O-N 3.38Å
50	H	26.8	Very low	29.1	Very low	169 Å²	169	91.7 Å²	91.7	78%	0.782	53%	0.53	S	S	*	.			trans	20.6	93.6	152.5	-58.4	-87.4	0	0	0	117	P48	P48-H50 PolarHBondContact O-N 3.36Å
51	T	29.9	Very low	29.1	Very low	60 Å²	60	87.4 Å²	87.4	37%	0.368	51%	0.513	S	S	.	.			trans	-123.1	96.5	161.4	-43.5	0	0	0	0	109.4	S49 I53 M63	S49-T51 PolarHBondContact O-N 3.38Å; T51-I53 HydrophobicContact CG2-CD1 4.17Å; T51-I53 HydrophobicContact CG2-CG1 3.84Å; T51-I53 PolarHBondContact O-N 2.83Å; T51-M63 HydrophobicContact CG2-CE 4.22Å; T51-M63 HydrophobicContact CG2-SD 4.48Å
52	N	32.4	Very low	29	Very low	114 Å²	114	89.8 Å²	89.8	61%	0.61	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	108.4	166.5	-88.8	-11.6	0	0	0	108.2
53	I	32.8	Very low	29	Very low	26 Å²	26	92 Å²	92	13%	0.133	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	107.2	175.9	-66.3	164.9	0	0	0	107.6	I39 T51 V61 M63 L80	I39-I53 HydrophobicContact CD1-CG2 4Å; I39-I53 HydrophobicContact CG2-CB 4.3Å; I39-I53 HydrophobicContact CG2-CD1 3.34Å; I39-I53 HydrophobicContact CG2-CG1 4.32Å; T51-I53 HydrophobicContact CG2-CD1 4.17Å; T51-I53 HydrophobicContact CG2-CG1 3.84Å; T51-I53 PolarHBondContact O-N 2.83Å; I53-V61 HydrophobicContact CG2-CG1 4.03Å; I53-M63 HydrophobicContact CD1-CE 4.3Å; I53-M63 HydrophobicContact CG1-CE 4.24Å; I53-L80 HydrophobicContact CD1-CD1 4.06Å; I53-L80 HydrophobicContact CD1-CD2 4.04Å
54	H	29.9	Very low	28.9	Very low	110 Å²	110	93.3 Å²	93.3	51%	0.509	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.3	171.1	-73.5	-112.6	0	0	0	109	N56 R62	H54-N56 PolarHBondContact O-N 3.49Å; H54-R62 PolarHBondContact O-N 2.64Å
55	L	31.1	Very low	28.7	Very low	63 Å²	63	98 Å²	98	33%	0.33	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	104.5	169.7	-66.9	171.6	0	0	0	108.3	L35 I39 V61	L35-L55 HydrophobicContact CB-CD1 4.11Å; L35-L55 HydrophobicContact CD1-CD1 3.92Å; I39-L55 HydrophobicContact CD1-CD1 4.36Å; L55-V61 HydrophobicContact CD2-CG2 4.05Å
56	N	29.3	Very low	28.6	Very low	86 Å²	86	94.8 Å²	94.8	46%	0.46	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.9	170.2	-99.1	-8.9	0	0	0	110	H54 I58 G59 K60	H54-N56 PolarHBondContact O-N 3.49Å; N56-I58 PolarHBondContact O-N 3.46Å; N56-G59 PolarHBondContact O-N 2.78Å; N56-K60 PolarHBondContact N-O 2.89Å
57	P	30.2	Very low	28.3	Very low	83 Å²	83	97.1 Å²	97.1	54%	0.539	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	8.5	-178.2	23.7	-32.4	0	0	0	115.4
58	I	24.7	Very low	28.2	Very low	128 Å²	128	99.4 Å²	99.4	66%	0.656	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	20.4	-175.8	-40.5	175.2	0	0	0	110.7	N56 K60	N56-I58 PolarHBondContact O-N 3.46Å; I58-K60 PolarHBondContact O-N 3.3Å; I58-K60 VanDerWaalsContact O-N 3.11Å
59	G	26.7	Very low	27.8	Very low	38 Å²	38	102.8 Å²	102.8	39%	0.392	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	64.1	17.4	-177.2	0	0	0	0	0	114	N56	N56-G59 PolarHBondContact O-N 2.78Å
60	K	27.1	Very low	27.4	Very low	140 Å²	140	103.2 Å²	103.2	61%	0.609	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.3	178.7	-66.6	-175.3	-176.9	179.5	0	109.5	N56 I58	N56-K60 PolarHBondContact N-O 2.89Å; I58-K60 PolarHBondContact O-N 3.3Å; I58-K60 VanDerWaalsContact O-N 3.11Å
61	V	29.1	Very low	27.2	Very low	49 Å²	49	99.7 Å²	99.7	30%	0.297	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	116.6	168.2	-175.2	0	0	0	0	107.6	I53 L55	I53-V61 HydrophobicContact CG2-CG1 4.03Å; L55-V61 HydrophobicContact CD2-CG2 4.05Å
62	R	27.3	Very low	27	Very low	140 Å²	140	104.5 Å²	104.5	53%	0.528	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102	112.4	174.4	-161.2	179	-179	-163.9	-0.8	108.1	H54	H54-R62 PolarHBondContact O-N 2.64Å
63	M	27.9	Very low	26.7	Very low	87 Å²	87	104.3 Å²	104.3	43%	0.429	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.8	123.7	168.8	-74.3	-178.7	168.8	0	0	108.4	T51 I53 L80	T51-M63 HydrophobicContact CG2-CE 4.22Å; T51-M63 HydrophobicContact CG2-SD 4.48Å; I53-M63 HydrophobicContact CD1-CE 4.3Å; I53-M63 HydrophobicContact CG1-CE 4.24Å; M63-L80 HydrophobicContact CE-CD1 3.6Å
64	T	26.7	Very low	26.5	Very low	74 Å²	74	106.4 Å²	106.4	45%	0.454	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.8	113.3	172.8	4.1	0	0	0	0	107.8
65	K	25.5	Very low	26.4	Very low	182 Å²	182	106.6 Å²	106.6	79%	0.791	59%	0.59	S	S	*	*			trans	-83.4	134.5	169.2	-160.1	176.4	-176.9	-177.8	0	107.3
66	S	25.1	Very low	26.4	Very low	87 Å²	87	107.7 Å²	107.7	61%	0.608	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	144.7	174.5	44.5	0	0	0	0	110.8
67	V	24.2	Very low	26.6	Very low	146 Å²	146	107.1 Å²	107.1	89%	0.885	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.2	7.4	174.1	-122	0	0	0	0	120
68	S	23.5	Very low	26.5	Very low	86 Å²	86	112.8 Å²	112.8	60%	0.601	62%	0.616	S	S	*	*			trans	-153.7	112.2	169	-39.9	0	0	0	0	112	V70	S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.8Å
69	E	23.3	Very low	26.8	Very low	198 Å²	198	111.5 Å²	111.5	93%	0.925	61%	0.61	S	S	*	*			trans	-68.8	86.3	172.1	-71.4	-171.7	150.8	0	0	110.3
70	V	21.4	Very low	27	Very low	101 Å²	101	111.8 Å²	111.8	61%	0.612	60%	0.602	S	S	*	*			trans	-115.3	114.6	168.9	-172.3	0	0	0	0	108.1	S68 F72	S68-V70 VanDerWaalsContact C-N 3.31Å; S68-V70 PolarHBondContact O-N 2.8Å; V70-F72 PolarHBondContact O-N 3.48Å
71	P	24.1	Very low	27	Very low	96 Å²	96	111.4 Å²	111.4	62%	0.623	61%	0.606	S	S	*	*			trans	-67.9	99	172.5	26.6	-30.6	0	0	0	109	V73	P71-V73 PolarHBondContact O-N 2.81Å
72	F	25.2	Very low	27	Very low	161 Å²	161	110.7 Å²	110.7	71%	0.706	60%	0.601	S	S	*	*			trans	-81.1	116.3	173.9	-150.8	-90.5	0	0	0	109.4	V70 A74	V70-F72 PolarHBondContact O-N 3.48Å; F72-A74 HydrophobicContact CD1-CB 4.32Å
73	V	26.1	Very low	27	Very low	110 Å²	110	112.7 Å²	112.7	67%	0.667	61%	0.613	S	S	*	*			trans	-94.7	102.1	168.2	-179	0	0	0	0	106.8	P71 T75	P71-V73 PolarHBondContact O-N 2.81Å; V73-T75 HydrophobicContact CG1-CG2 4.13Å; V73-T75 PolarHBondContact O-N 3.46Å
74	A	27.7	Very low	27.1	Very low	70 Å²	70	112.5 Å²	112.5	58%	0.579	62%	0.621	S	S	*	*			trans	-75.7	94.5	178.8	0	0	0	0	0	110.5	F72 T76	F72-A74 HydrophobicContact CD1-CB 4.32Å; A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 2.78Å
75	T	28.1	Very low	27.7	Very low	113 Å²	113	110.7 Å²	110.7	69%	0.693	61%	0.608	S	S	*	*			trans	-87	63.2	171.6	49.6	0	0	0	0	111.6	V73	V73-T75 HydrophobicContact CG1-CG2 4.13Å; V73-T75 PolarHBondContact O-N 3.46Å
76	T	32	Very low	28.3	Very low	86 Å²	86	106.1 Å²	106.1	53%	0.528	59%	0.589	S	S	.	*	S	Bend	trans	78.6	147.4	177.8	64.3	0	0	0	0	118.8	A74 H105	A74-T76 VanDerWaalsContact C-N 3.34Å; A74-T76 PolarHBondContact O-N 2.78Å; T76-H105 HydrophobicContact CG2-CB 4.34Å; T76-H105 WeakPolarHBondContact CG2-CD2 3.33Å
77	P	32.6	Very low	29.1	Very low	74 Å²	74	102.6 Å²	102.6	48%	0.481	56%	0.563	S	S	.	*				-121.6	93	-52.6	34.3	-17.2	0	0	0	109.6	I79	P77-I79 VanDerWaalsContact C-N 3.32Å
78	K	27.4	Very low	30.1	Very low	202 Å²	202	98 Å²	98	88%	0.878	53%	0.534	S	S	*	.			trans	-102.6	33.9	160.9	-75.6	-171.3	178.7	-179.3	0	110.8	L80	K78-L80 PolarHBondContact O-N 3.37Å; K78-L80 VanDerWaalsContact O-N 3.15Å
79	I	32	Very low	31.1	Very low	101 Å²	101	94 Å²	94	52%	0.518	51%	0.506	S	S	.	.			trans	-72.7	110.8	168.2	-62.4	174.5	0	0	0	105.1	P77	P77-I79 VanDerWaalsContact C-N 3.32Å
80	L	30.4	Very low	32.1	Very low	45 Å²	45	87 Å²	87	24%	0.236	48%	0.475	C	S	.	.			trans	4	117	169	-80.2	89.1	0	0	0	114.9	I39 I53 M63 K78 V82	I39-L80 HydrophobicContact CG1-CD2 4.41Å; I53-L80 HydrophobicContact CD1-CD1 4.06Å; I53-L80 HydrophobicContact CD1-CD2 4.04Å; M63-L80 HydrophobicContact CE-CD1 3.6Å; K78-L80 PolarHBondContact O-N 3.37Å; K78-L80 VanDerWaalsContact O-N 3.15Å; L80-V82 VanDerWaalsContact C-N 3.26Å; L80-V82 HydrophobicContact CB-CG2 4.26Å; L80-V82 WeakPolarHBondContact O-CG2 3.32Å; L80-V82 PolarHBondContact O-N 3.39Å
81	I	27.6	Very low	33.3	Very low	132 Å²	132	83.3 Å²	83.3	68%	0.677	45%	0.451	S	S	*	.			trans	-48.2	96.4	157.8	-62.4	165.4	0	0	0	107.4	K83	I81-K83 HydrophobicContact CG2-CD 4.34Å; I81-K83 HydrophobicContact CG2-CG 3.84Å
82	V	29.3	Very low	34.5	Very low	33 Å²	33	78.9 Å²	78.9	20%	0.2	42%	0.422	C	S	.	.			trans	-102.6	81.6	166.1	177.1	0	0	0	0	103.8	L80 S84 M85 L135	L80-V82 VanDerWaalsContact C-N 3.26Å; L80-V82 HydrophobicContact CB-CG2 4.26Å; L80-V82 WeakPolarHBondContact O-CG2 3.32Å; L80-V82 PolarHBondContact O-N 3.39Å; V82-S84 PolarHBondContact O-N 3.08Å; V82-M85 HydrophobicContact CB-CE 3.81Å; V82-M85 HydrophobicContact CG1-CB 3.37Å; V82-M85 HydrophobicContact CG1-CE 3.26Å; V82-M85 HydrophobicContact CG1-CG 3.23Å; V82-M85 HydrophobicContact CG1-SD 3.87Å; V82-M85 HydrophobicContact CG2-CE 3.22Å; V82-L135 WeakPolarHBondContact O-CD1 3.33Å
83	K	27	Very low	35.5	Very low	182 Å²	182	75.6 Å²	75.6	79%	0.791	41%	0.406	S	S	*	.	S	Bend	trans	-58.1	105.4	164.8	-85.4	175.7	173.3	179.4	0	105.9	I81	I81-K83 HydrophobicContact CG2-CD 4.34Å; I81-K83 HydrophobicContact CG2-CG 3.84Å
84	S	29.7	Very low	36.4	Very low	83 Å²	83	72.6 Å²	72.6	58%	0.58	38%	0.384	S	S	*	.			trans	52.8	91.5	179.1	63.1	0	0	0	0	115.5	V82	V82-S84 PolarHBondContact O-N 3.08Å
85	M	39.3	Very low	37.4	Very low	37 Å²	37	69.9 Å²	69.9	18%	0.182	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.1	159.8	-115.4	-172.5	-112.8	0	0	108.9	T38 V82 L87	T38-M85 HydrophobicContact CG2-CE 3.5Å; T38-M85 HydrophobicContact CG2-CG 3.93Å; T38-M85 HydrophobicContact CG2-SD 3.89Å; V82-M85 HydrophobicContact CB-CE 3.81Å; V82-M85 HydrophobicContact CG1-CB 3.37Å; V82-M85 HydrophobicContact CG1-CE 3.26Å; V82-M85 HydrophobicContact CG1-CG 3.23Å; V82-M85 HydrophobicContact CG1-SD 3.87Å; V82-M85 HydrophobicContact CG2-CE 3.22Å; M85-L87 HydrophobicContact CB-CD1 4.44Å; M85-L87 HydrophobicContact CB-CG 4.13Å; M85-L87 HydrophobicContact CG-CG 4.47Å; M85-L87 PolarHBondContact O-N 3.21Å; M85-L87 HydrophobicContact SD-CD1 4.31Å; M85-L87 HydrophobicContact SD-CD2 3.79Å; M85-L87 HydrophobicContact SD-CG 4.1Å
86	Q	37.7	Very low	38.3	Very low	85 Å²	85	65.6 Å²	65.6	40%	0.397	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	93.8	160.4	-81.3	174.7	-31.1	0	0	107.5	R130	Q86-R130 VanDerWaalsContact CB-NH2 3.26Å
87	L	42.9	Very low	38.9	Very low	14 Å²	14	67.9 Å²	67.9	7%	0.073	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.2	173.9	-71	162.7	0	0	0	109.1	M85 I91 L92 L95 V131 I133	M85-L87 HydrophobicContact CB-CD1 4.44Å; M85-L87 HydrophobicContact CB-CG 4.13Å; M85-L87 HydrophobicContact CG-CG 4.47Å; M85-L87 PolarHBondContact O-N 3.21Å; M85-L87 HydrophobicContact SD-CD1 4.31Å; M85-L87 HydrophobicContact SD-CD2 3.79Å; M85-L87 HydrophobicContact SD-CG 4.1Å; L87-I91 HydrophobicContact CD2-CG2 3.82Å; L87-L92 HydrophobicContact CD1-CD1 4.17Å; L87-L95 HydrophobicContact CD1-CD1 4.17Å; L87-L95 HydrophobicContact CD2-CD1 4.42Å; L87-V131 PolarHBondContact N-O 2.97Å; L87-V131 PolarHBondContact O-N 2.79Å; L87-I133 HydrophobicContact CD1-CD1 4.15Å
88	D	45.1	Very low	39.2	Very low	49 Å²	49	67.8 Å²	67.8	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.8	163.7	-158.2	-12.6	0	0	0	108.2	D90 I91 L92 R128	D88-D90 PolarHBondContact O-N 2.82Å; D88-I91 HydrophobicContact CB-CD1 4.18Å; D88-I91 HydrophobicContact CB-CG1 4.3Å; D88-I91 WeakPolarHBondContact O-CB 3.5Å; D88-I91 PolarHBondContact O-N 2.89Å; D88-L92 PolarHBondContact O-N 3.44Å; D88-R128 WeakPolarHBondContact OD1-CD 3.02Å; D88-R128 IonicContact OD1-NH1 3.99Å; D88-R128 VanDerWaalsContact OD2-CD 3.31Å; D88-R128 WeakPolarHBondContact OD2-CD 3.43Å; D88-R128 IonicContact OD2-CZ 3.78Å; D88-R128 IonicContact OD2-NE 3.98Å; D88-R128 IonicContact OD2-NH1 2.81Å; D88-R128 PolarHBondContact OD2-NH1 3.4Å
89	T	44.4	Very low	39.8	Very low	2 Å²	2	61.3 Å²	61.3	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-26.9	-168.1	-62.9	0	0	0	0	112.2	I91 L92 Y93 F115 V120 P129	T89-I91 VanDerWaalsContact C-N 3.32Å; T89-I91 PolarHBondContact O-N 3.18Å; T89-L92 PolarHBondContact O-N 2.69Å; T89-Y93 WeakPolarHBondContact O-CB 3.22Å; T89-Y93 PolarHBondContact O-N 3.48Å; T89-F115 HydrophobicContact CG2-CE1 3.89Å; T89-V120 HydrophobicContact CG2-CG2 3.28Å; T89-P129 HydrophobicContact CG2-CG 4.29Å; T89-P129 WeakPolarHBondContact OG1-CG 3.05Å; T89-P129 PolarHBondContact OG1-O 3.48Å
90	D	43.5	Very low	40.1	Very low	51 Å²	51	58.6 Å²	58.6	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-41.5	170.7	-59.1	-23.7	0	0	0	111.7	D88 Y93 H94 R128	D88-D90 PolarHBondContact O-N 2.82Å; D90-Y93 PolarHBondContact O-N 2.81Å; D90-H94 PolarHBondContact O-CD2 2.86Å; D90-H94 PolarHBondContact O-N 3.43Å; D90-R128 IonicContact OD2-CZ 3.12Å; D90-R128 IonicContact OD2-NE 3.93Å; D90-R128 IonicContact OD2-NH1 2.74Å; D90-R128 PolarHBondContact OD2-NH1 3.37Å; D90-R128 IonicContact OD2-NH2 3.3Å; D90-R128 PolarHBondContact OD2-NH2 2.97Å
91	I	46.9	Very low	40.8	Very low	23 Å²	23	59.5 Å²	59.5	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-41.9	178.4	-59.2	177.2	0	0	0	109.2	V31 Q34 L87 D88 T89 H94 L95	V31-I91 HydrophobicContact CG1-CG2 4.42Å; V31-I91 HydrophobicContact CG2-CB 4.46Å; V31-I91 HydrophobicContact CG2-CG1 4.08Å; V31-I91 HydrophobicContact CG2-CG2 4.13Å; Q34-I91 HydrophobicContact CB-CD1 4.4Å; Q34-I91 HydrophobicContact CG-CD1 4.12Å; L87-I91 HydrophobicContact CD2-CG2 3.82Å; D88-I91 HydrophobicContact CB-CD1 4.18Å; D88-I91 HydrophobicContact CB-CG1 4.3Å; D88-I91 WeakPolarHBondContact O-CB 3.5Å; D88-I91 PolarHBondContact O-N 2.89Å; T89-I91 VanDerWaalsContact C-N 3.32Å; T89-I91 PolarHBondContact O-N 3.18Å; I91-H94 PolarHBondContact O-N 2.99Å; I91-L95 HydrophobicContact CG2-CD1 3.75Å; I91-L95 HydrophobicContact CG2-CG 4.2Å; I91-L95 WeakPolarHBondContact O-CB 3.06Å; I91-L95 WeakPolarHBondContact O-CG 3.13Å; I91-L95 PolarHBondContact O-N 2.99Å
92	L	49.2	Very low	41.7	Very low	3 Å²	3	55.1 Å²	55.1	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-42.1	177.3	-172.2	62.4	0	0	0	111.9	L87 D88 T89 L95 T96 F102 F112 V131 I133	L87-L92 HydrophobicContact CD1-CD1 4.17Å; D88-L92 PolarHBondContact O-N 3.44Å; T89-L92 PolarHBondContact O-N 2.69Å; L92-L95 PolarHBondContact O-N 2.97Å; L92-T96 WeakPolarHBondContact O-CB 3.32Å; L92-T96 PolarHBondContact O-N 3.48Å; L92-T96 PolarHBondContact O-OG1 2.82Å; L92-F102 HydrophobicContact CD1-CE2 4.2Å; L92-F112 HydrophobicContact CD2-CE2 3.77Å; L92-F112 HydrophobicContact CD2-CZ 4.49Å; L92-F112 HydrophobicContact CG-CE2 3.87Å; L92-F112 HydrophobicContact CG-CZ 4.19Å; L92-V131 HydrophobicContact CD2-CB 3.83Å; L92-V131 HydrophobicContact CD2-CG1 3.76Å; L92-V131 HydrophobicContact CD2-CG2 3.71Å; L92-I133 HydrophobicContact CD1-CD1 3.7Å
93	Y	46.6	Very low	42.1	Very low	93 Å²	93	57.6 Å²	57.6	37%	0.365	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-48	175.5	-174.4	-91.8	0	0	0	111.2	T89 D90 T96 Y97 V116	T89-Y93 WeakPolarHBondContact O-CB 3.22Å; T89-Y93 PolarHBondContact O-N 3.48Å; D90-Y93 PolarHBondContact O-N 2.81Å; Y93-T96 PolarHBondContact O-N 3.16Å; Y93-Y97 HydrophobicContact CD1-CD2 4.26Å; Y93-Y97 AromaticContact CD2-CD2 3.76Å; Y93-Y97 HydrophobicContact CD2-CD2 3.76Å; Y93-Y97 AromaticContact CD2-CE2 3.9Å; Y93-Y97 HydrophobicContact CD2-CE2 3.9Å; Y93-Y97 AromaticContact CE1-CD2 3.97Å; Y93-Y97 HydrophobicContact CE1-CD2 3.97Å; Y93-Y97 HydrophobicContact CE1-CG 4.29Å; Y93-Y97 AromaticContact CE2-CD2 3.44Å; Y93-Y97 HydrophobicContact CE2-CD2 3.44Å; Y93-Y97 VanDerWaalsContact CE2-CD2 3.44Å; Y93-Y97 AromaticContact CE2-CE2 3.31Å; Y93-Y97 HydrophobicContact CE2-CE2 3.31Å; Y93-Y97 HydrophobicContact CE2-CG 4.42Å; Y93-Y97 HydrophobicContact CG-CD2 4.16Å; Y93-Y97 AromaticContact CZ-CD2 3.56Å; Y93-Y97 AromaticContact CZ-CE2 3.71Å; Y93-Y97 WeakPolarHBondContact O-CB 3.45Å; Y93-Y97 PolarHBondContact O-N 3.42Å; Y93-V116 HydrophobicContact CD2-CG1 4.11Å; Y93-V116 HydrophobicContact CD2-CG2 4.29Å; Y93-V116 HydrophobicContact CE2-CG1 4.19Å
94	H	45.6	Very low	42.5	Very low	46 Å²	46	55.9 Å²	55.9	21%	0.213	30%	0.301	C	S	.	.	H	α-helix	trans	-65.7	-37.8	176.9	-87.6	-69.2	0	0	0	113.3	L27 D90 I91 T96 S98 F99	L27-H94 WeakPolarHBondContact CD2-CD2 3.46Å; D90-H94 PolarHBondContact O-CD2 2.86Å; D90-H94 PolarHBondContact O-N 3.43Å; I91-H94 PolarHBondContact O-N 2.99Å; H94-T96 VanDerWaalsContact C-N 3.33Å; H94-T96 PolarHBondContact O-N 3.18Å; H94-S98 PolarHBondContact ND1-OG 2.9Å; H94-S98 WeakPolarHBondContact O-CA 3.31Å; H94-S98 WeakPolarHBondContact O-CB 3.31Å; H94-S98 PolarHBondContact O-N 3.44Å; H94-S98 PolarHBondContact O-OG 2.82Å; H94-F99 PolarHBondContact O-N 2.96Å
95	L	47.7	Very low	42.8	Very low	13 Å²	13	57.2 Å²	57.2	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-38.1	175.4	-70.3	170.4	0	0	0	111.9	V31 L35 L87 I91 L92 F99 L101 F102	V31-L95 HydrophobicContact CG1-CD2 4.47Å; L35-L95 HydrophobicContact CD1-CD2 4.3Å; L87-L95 HydrophobicContact CD1-CD1 4.17Å; L87-L95 HydrophobicContact CD2-CD1 4.42Å; I91-L95 HydrophobicContact CG2-CD1 3.75Å; I91-L95 HydrophobicContact CG2-CG 4.2Å; I91-L95 WeakPolarHBondContact O-CB 3.06Å; I91-L95 WeakPolarHBondContact O-CG 3.13Å; I91-L95 PolarHBondContact O-N 2.99Å; L92-L95 PolarHBondContact O-N 2.97Å; L95-F99 HydrophobicContact CD2-CD2 4.14Å; L95-F99 WeakPolarHBondContact O-CB 3.39Å; L95-L101 HydrophobicContact CB-CD1 4.01Å; L95-L101 HydrophobicContact CD2-CD1 3.52Å; L95-L101 HydrophobicContact CG-CD1 4.32Å; L95-L101 PolarHBondContact O-N 2.81Å; L95-F102 HydrophobicContact CB-CE2 4.45Å
96	T	48.3	Very low	42.6	Very low	23 Å²	23	58 Å²	58	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-73.4	-51.5	178.3	-58.7	0	0	0	0	112	L92 Y93 H94 G100 F102 F112	L92-T96 WeakPolarHBondContact O-CB 3.32Å; L92-T96 PolarHBondContact O-N 3.48Å; L92-T96 PolarHBondContact O-OG1 2.82Å; Y93-T96 PolarHBondContact O-N 3.16Å; H94-T96 VanDerWaalsContact C-N 3.33Å; H94-T96 PolarHBondContact O-N 3.18Å; T96-G100 PolarHBondContact O-N 3.32Å; T96-F102 HydrophobicContact CG2-CB 4.36Å; T96-F102 WeakPolarHBondContact OG1-CD2 3.34Å; T96-F112 HydrophobicContact CG2-CD1 4.21Å; T96-F112 HydrophobicContact CG2-CE1 3.78Å; T96-F112 HydrophobicContact CG2-CZ 4.2Å
97	Y	44	Very low	42.4	Very low	135 Å²	135	62.2 Å²	62.2	53%	0.529	31%	0.311	S	S	.	.	H	α-helix	trans	-83.4	-41.2	-174.4	-87.8	-85.7	0	0	0	113.9	Y93 F112	Y93-Y97 HydrophobicContact CD1-CD2 4.26Å; Y93-Y97 AromaticContact CD2-CD2 3.76Å; Y93-Y97 HydrophobicContact CD2-CD2 3.76Å; Y93-Y97 AromaticContact CD2-CE2 3.9Å; Y93-Y97 HydrophobicContact CD2-CE2 3.9Å; Y93-Y97 AromaticContact CE1-CD2 3.97Å; Y93-Y97 HydrophobicContact CE1-CD2 3.97Å; Y93-Y97 HydrophobicContact CE1-CG 4.29Å; Y93-Y97 AromaticContact CE2-CD2 3.44Å; Y93-Y97 HydrophobicContact CE2-CD2 3.44Å; Y93-Y97 VanDerWaalsContact CE2-CD2 3.44Å; Y93-Y97 AromaticContact CE2-CE2 3.31Å; Y93-Y97 HydrophobicContact CE2-CE2 3.31Å; Y93-Y97 HydrophobicContact CE2-CG 4.42Å; Y93-Y97 HydrophobicContact CG-CD2 4.16Å; Y93-Y97 AromaticContact CZ-CD2 3.56Å; Y93-Y97 AromaticContact CZ-CE2 3.71Å; Y93-Y97 WeakPolarHBondContact O-CB 3.45Å; Y93-Y97 PolarHBondContact O-N 3.42Å; Y97-F112 HydrophobicContact CE2-CE1 4.46Å
98	S	39.7	Very low	42.2	Very low	72 Å²	72	63.4 Å²	63.4	50%	0.503	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-30.8	-175.1	-48.6	0	0	0	0	113.1	H94	H94-S98 PolarHBondContact ND1-OG 2.9Å; H94-S98 WeakPolarHBondContact O-CA 3.31Å; H94-S98 WeakPolarHBondContact O-CB 3.31Å; H94-S98 PolarHBondContact O-N 3.44Å; H94-S98 PolarHBondContact O-OG 2.82Å
99	F	38.5	Very low	41.7	Very low	66 Å²	66	66.3 Å²	66.3	29%	0.289	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-5.2	-175.3	-66.5	-81.9	0	0	0	114.4	H94 L95 L101	H94-F99 PolarHBondContact O-N 2.96Å; L95-F99 HydrophobicContact CD2-CD2 4.14Å; L95-F99 WeakPolarHBondContact O-CB 3.39Å; F99-L101 HydrophobicContact CB-CD1 3.62Å; F99-L101 HydrophobicContact CB-CG 3.71Å; F99-L101 HydrophobicContact CG-CD1 4.32Å; F99-L101 PolarHBondContact O-N 3.48Å; F99-L101 VanDerWaalsContact O-N 3.16Å
100	G	39.3	Very low	41.7	Very low	43 Å²	43	68.6 Å²	68.6	44%	0.443	35%	0.353	S	S	.	.			trans	55.1	34.6	-178.7	0	0	0	0	0	112.1	T96 F102 P103	T96-G100 PolarHBondContact O-N 3.32Å; G100-F102 VanDerWaalsContact C-N 3.25Å; G100-F102 PolarHBondContact O-N 3.14Å; G100-P103 WeakPolarHBondContact O-CD 3.45Å
101	L	44.9	Very low	41.7	Very low	64 Å²	64	70.9 Å²	70.9	34%	0.335	37%	0.365	S	S	.	.	S	Bend	trans	-75.2	-14.9	-174.9	-77	162.9	0	0	0	113.2	L95 F99	L95-L101 HydrophobicContact CB-CD1 4.01Å; L95-L101 HydrophobicContact CD2-CD1 3.52Å; L95-L101 HydrophobicContact CG-CD1 4.32Å; L95-L101 PolarHBondContact O-N 2.81Å; F99-L101 HydrophobicContact CB-CD1 3.62Å; F99-L101 HydrophobicContact CB-CG 3.71Å; F99-L101 HydrophobicContact CG-CD1 4.32Å; F99-L101 PolarHBondContact O-N 3.48Å; F99-L101 VanDerWaalsContact O-N 3.16Å
102	F	46.7	Very low	41.8	Very low	40 Å²	40	70.7 Å²	70.7	18%	0.175	36%	0.363	C	S	.	.	S	Bend	trans	-123.2	-8.9	-176.1	-63.9	-77.2	0	0	0	118.8	L92 L95 T96 G100 N104 Y106 I133	L92-F102 HydrophobicContact CD1-CE2 4.2Å; L95-F102 HydrophobicContact CB-CE2 4.45Å; T96-F102 HydrophobicContact CG2-CB 4.36Å; T96-F102 WeakPolarHBondContact OG1-CD2 3.34Å; G100-F102 VanDerWaalsContact C-N 3.25Å; G100-F102 PolarHBondContact O-N 3.14Å; F102-N104 PolarHBondContact O-N 3.29Å; F102-Y106 AromaticContact CD1-CD2 3.97Å; F102-Y106 HydrophobicContact CD1-CD2 3.97Å; F102-Y106 HydrophobicContact CE1-CD2 4.3Å; F102-I133 HydrophobicContact CZ-CD1 4.38Å
103	P	37.7	Very low	41.6	Very low	86 Å²	86	74.8 Å²	74.8	56%	0.558	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.2	-172.2	10.6	-2.7	0	0	0	115.8	G100	G100-P103 WeakPolarHBondContact O-CD 3.45Å
104	N	34.7	Very low	41.7	Very low	145 Å²	145	72.5 Å²	72.5	78%	0.775	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-13.8	-168.4	-71.5	-34.3	0	0	0	116.7	F102	F102-N104 PolarHBondContact O-N 3.29Å
105	H	36.3	Very low	41.9	Very low	112 Å²	112	71.4 Å²	71.4	52%	0.519	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-5.3	-171.7	-68.2	-9.6	0	0	0	114.5	T76	T76-H105 HydrophobicContact CG2-CB 4.34Å; T76-H105 WeakPolarHBondContact CG2-CD2 3.33Å
106	Y	34.2	Very low	41.9	Very low	53 Å²	53	71.5 Å²	71.5	21%	0.208	38%	0.379	C	S	.	.			trans	-139.2	123.4	-172.9	-60.3	-51.2	0	0	0	110	P3 F5 F102	P3-Y106 HydrophobicContact CG-CD1 4.05Å; P3-Y106 HydrophobicContact CG-CE1 3.99Å; F5-Y106 HydrophobicContact CD2-CD1 4.12Å; F5-Y106 HydrophobicContact CD2-CG 4.26Å; F5-Y106 HydrophobicContact CE1-CD1 4.25Å; F5-Y106 HydrophobicContact CE1-CE1 4.4Å; F5-Y106 VanDerWaalsContact CE2-CB 3.47Å; F5-Y106 AromaticContact CE2-CD1 3.02Å; F5-Y106 HydrophobicContact CE2-CD1 3.02Å; F5-Y106 AromaticContact CE2-CE1 3.87Å; F5-Y106 HydrophobicContact CE2-CE1 3.87Å; F5-Y106 AromaticContact CE2-CG 3.55Å; F5-Y106 HydrophobicContact CE2-CG 3.55Å; F5-Y106 AromaticContact CZ-CD1 3.08Å; F5-Y106 HydrophobicContact CZ-CD1 3.08Å; F5-Y106 AromaticContact CZ-CE1 3.41Å; F5-Y106 HydrophobicContact CZ-CE1 3.41Å; F5-Y106 VanDerWaalsContact CZ-CE1 3.41Å; F5-Y106 AromaticContact CZ-CG 3.88Å; F5-Y106 HydrophobicContact CZ-CG 3.88Å; F102-Y106 AromaticContact CD1-CD2 3.97Å; F102-Y106 HydrophobicContact CD1-CD2 3.97Å; F102-Y106 HydrophobicContact CE1-CD2 4.3Å
107	R	33.2	Very low	42	Very low	174 Å²	174	77.7 Å²	77.7	66%	0.657	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	108.2	168.7	-105.4	-175.1	-175.7	-179.3	1.8	107.9	F5 H109	F5-R107 PolarHBondContact N-O 3.37Å; R107-H109 PolarHBondContact O-N 3.16Å
108	L	39	Very low	42.3	Very low	38 Å²	38	75.7 Å²	75.7	20%	0.199	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	114.6	164.6	-67.1	167.8	0	0	0	107.4	F5 L7 G110 F112	F5-L108 HydrophobicContact CB-CD2 4.36Å; L7-L108 HydrophobicContact CD1-CB 4.16Å; L7-L108 HydrophobicContact CD1-CD2 3.94Å; L7-L108 HydrophobicContact CD1-CG 4.44Å; L7-L108 HydrophobicContact CD2-CD2 4.12Å; L7-L108 HydrophobicContact CG-CD2 3.97Å; L108-G110 PolarHBondContact O-N 3.35Å; L108-G110 VanDerWaalsContact O-N 3.15Å; L108-F112 HydrophobicContact CD1-CB 4.15Å; L108-F112 HydrophobicContact CD1-CD2 3.89Å; L108-F112 HydrophobicContact CD1-CG 4.2Å
109	H	36	Very low	42.6	Very low	111 Å²	111	74.7 Å²	74.7	51%	0.514	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	104.7	169.4	-106.2	-93.6	0	0	0	108.4	F5 R107	F5-H109 PolarHBondContact O-N 3.35Å; F5-H109 VanDerWaalsContact O-N 3.16Å; R107-H109 PolarHBondContact O-N 3.16Å
110	G	43.4	Very low	43	Very low	50 Å²	50	74.3 Å²	74.3	52%	0.515	39%	0.388	S	S	.	.	S	Bend	trans	129.3	136.3	-172.6	0	0	0	0	0	109.3	L108 F112	L108-G110 PolarHBondContact O-N 3.35Å; L108-G110 VanDerWaalsContact O-N 3.15Å; G110-F112 PolarHBondContact O-N 3.45Å
111	N	44.1	Very low	43.4	Very low	98 Å²	98	78.7 Å²	78.7	52%	0.524	40%	0.397	S	S	.	.			trans	-68	101.6	176.3	-166.4	20.5	0	0	0	106.9	D113 S114 F115	N111-D113 PolarHBondContact O-N 3.3Å; N111-D113 VanDerWaalsContact O-N 3.16Å; N111-S114 WeakPolarHBondContact CB-OG 3.22Å; N111-S114 PolarHBondContact ND2-OG 2.95Å; N111-S114 CarbonylContact O-C 3.55Å; N111-S114 WeakPolarHBondContact O-CA 3.26Å; N111-S114 VanDerWaalsContact O-CB 3.32Å; N111-S114 WeakPolarHBondContact O-CB 3.09Å; N111-S114 PolarHBondContact O-N 3.11Å; N111-F115 PolarHBondContact O-N 3Å
112	F	48	Very low	43.7	Very low	19 Å²	19	81.1 Å²	81.1	8%	0.083	41%	0.411	C	S	.	.	H	α-helix	trans	-53.4	-35.5	-179.5	-179.3	-101.1	0	0	0	110.5	L92 T96 Y97 L108 G110 S114 F115 V116	L92-F112 HydrophobicContact CD2-CE2 3.77Å; L92-F112 HydrophobicContact CD2-CZ 4.49Å; L92-F112 HydrophobicContact CG-CE2 3.87Å; L92-F112 HydrophobicContact CG-CZ 4.19Å; T96-F112 HydrophobicContact CG2-CD1 4.21Å; T96-F112 HydrophobicContact CG2-CE1 3.78Å; T96-F112 HydrophobicContact CG2-CZ 4.2Å; Y97-F112 HydrophobicContact CE2-CE1 4.46Å; L108-F112 HydrophobicContact CD1-CB 4.15Å; L108-F112 HydrophobicContact CD1-CD2 3.89Å; L108-F112 HydrophobicContact CD1-CG 4.2Å; G110-F112 PolarHBondContact O-N 3.45Å; F112-S114 PolarHBondContact O-N 3.3Å; F112-F115 WeakPolarHBondContact O-CB 3.31Å; F112-F115 PolarHBondContact O-N 2.96Å; F112-V116 HydrophobicContact CD1-CG2 4.02Å; F112-V116 HydrophobicContact CE1-CG2 3.66Å; F112-V116 HydrophobicContact CE2-CG2 4.32Å; F112-V116 HydrophobicContact CZ-CG2 3.83Å; F112-V116 VanDerWaalsContact O-CG2 3.31Å; F112-V116 WeakPolarHBondContact O-CG2 3.22Å; F112-V116 PolarHBondContact O-N 3.41Å
113	D	46.1	Very low	43.7	Very low	90 Å²	90	82 Å²	82	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-62.5	-38.4	172.8	-65.4	-15.2	0	0	0	112.8	N111 R117	N111-D113 PolarHBondContact O-N 3.3Å; N111-D113 VanDerWaalsContact O-N 3.16Å; D113-R117 WeakPolarHBondContact O-CB 3.46Å; D113-R117 PolarHBondContact O-N 2.9Å
114	S	48.6	Very low	44.1	Very low	45 Å²	45	84 Å²	84	32%	0.315	43%	0.43	S	S	.	.	H	α-helix	trans	-68.5	-41.5	171.6	-62.8	0	0	0	0	111.3	N111 F112 V116 R117 D118	N111-S114 WeakPolarHBondContact CB-OG 3.22Å; N111-S114 PolarHBondContact ND2-OG 2.95Å; N111-S114 CarbonylContact O-C 3.55Å; N111-S114 WeakPolarHBondContact O-CA 3.26Å; N111-S114 VanDerWaalsContact O-CB 3.32Å; N111-S114 WeakPolarHBondContact O-CB 3.09Å; N111-S114 PolarHBondContact O-N 3.11Å; F112-S114 PolarHBondContact O-N 3.3Å; S114-V116 VanDerWaalsContact C-N 3.34Å; S114-V116 PolarHBondContact O-N 2.93Å; S114-R117 PolarHBondContact O-N 3.26Å; S114-D118 WeakPolarHBondContact O-CB 3.44Å; S114-D118 PolarHBondContact O-N 3.49Å
115	F	49.3	Very low	44.6	Very low	23 Å²	23	84.9 Å²	84.9	10%	0.101	43%	0.43	C	S	.	.	H	α-helix	trans	-59.3	-46.6	176.7	177.3	-94.4	0	0	0	111.7	T89 N111 F112 H119 P129 V131	T89-F115 HydrophobicContact CG2-CE1 3.89Å; N111-F115 PolarHBondContact O-N 3Å; F112-F115 WeakPolarHBondContact O-CB 3.31Å; F112-F115 PolarHBondContact O-N 2.96Å; F115-H119 AromaticContact CD2-ND1 3.92Å; F115-H119 AromaticContact CE2-ND1 3.95Å; F115-H119 HydrophobicContact CZ-CB 4.45Å; F115-H119 WeakPolarHBondContact O-CB 3.11Å; F115-H119 PolarHBondContact O-N 3.41Å; F115-H119 VanDerWaalsContact O-N 3.15Å; F115-H119 PolarHBondContact O-ND1 2.91Å; F115-P129 HydrophobicContact CZ-CB 4.11Å; F115-P129 HydrophobicContact CZ-CG 4.34Å; F115-V131 HydrophobicContact CD1-CG2 4.38Å; F115-V131 HydrophobicContact CE1-CG2 3.29Å; F115-V131 HydrophobicContact CE2-CG2 4.25Å; F115-V131 HydrophobicContact CZ-CG2 3.23Å
116	V	48.3	Very low	44.8	Very low	15 Å²	15	82.4 Å²	82.4	9%	0.091	43%	0.434	C	S	.	.	H	α-helix	trans	-65.2	-44.4	176.9	172.8	0	0	0	0	110.9	Y93 F112 S114 V120 Q121	Y93-V116 HydrophobicContact CD2-CG1 4.11Å; Y93-V116 HydrophobicContact CD2-CG2 4.29Å; Y93-V116 HydrophobicContact CE2-CG1 4.19Å; F112-V116 HydrophobicContact CD1-CG2 4.02Å; F112-V116 HydrophobicContact CE1-CG2 3.66Å; F112-V116 HydrophobicContact CE2-CG2 4.32Å; F112-V116 HydrophobicContact CZ-CG2 3.83Å; F112-V116 VanDerWaalsContact O-CG2 3.31Å; F112-V116 WeakPolarHBondContact O-CG2 3.22Å; F112-V116 PolarHBondContact O-N 3.41Å; S114-V116 VanDerWaalsContact C-N 3.34Å; S114-V116 PolarHBondContact O-N 2.93Å; V116-V120 HydrophobicContact CG1-CB 4.22Å; V116-V120 HydrophobicContact CG1-CG2 4.25Å; V116-V120 WeakPolarHBondContact O-CA 3.4Å; V116-V120 WeakPolarHBondContact O-CB 3.26Å; V116-V120 PolarHBondContact O-N 3.22Å; V116-Q121 PolarHBondContact O-N 3.39Å
117	R	50.8	Low	45.2	Very low	152 Å²	152	84.7 Å²	84.7	57%	0.574	45%	0.446	S	S	*	.	I	π-helix	trans	-60.5	-53.8	177.4	-175	179.5	-68.9	-161.1	-1.5	111.6	D113 S114 H119 Q121 D122	D113-R117 WeakPolarHBondContact O-CB 3.46Å; D113-R117 PolarHBondContact O-N 2.9Å; S114-R117 PolarHBondContact O-N 3.26Å; R117-H119 VanDerWaalsContact C-N 3.29Å; R117-H119 PolarHBondContact O-N 3.39Å; R117-Q121 PolarHBondContact O-N 2.99Å; R117-D122 PolarHBondContact O-N 2.95Å
118	D	48.8	Very low	45.6	Very low	94 Å²	94	80.4 Å²	80.4	50%	0.503	43%	0.43	S	S	.	.	I	π-helix	trans	-69.5	-24.4	-171.5	-62.2	-12.7	0	0	0	112.9	S114	S114-D118 WeakPolarHBondContact O-CB 3.44Å; S114-D118 PolarHBondContact O-N 3.49Å
119	H	46.5	Very low	45.6	Very low	51 Å²	51	79 Å²	79	24%	0.236	42%	0.424	C	S	.	.	I	π-helix	trans	-123.5	-14.2	-172.9	-55.5	70.1	0	0	0	115.5	F115 R117 P129	F115-H119 AromaticContact CD2-ND1 3.92Å; F115-H119 AromaticContact CE2-ND1 3.95Å; F115-H119 HydrophobicContact CZ-CB 4.45Å; F115-H119 WeakPolarHBondContact O-CB 3.11Å; F115-H119 PolarHBondContact O-N 3.41Å; F115-H119 VanDerWaalsContact O-N 3.15Å; F115-H119 PolarHBondContact O-ND1 2.91Å; R117-H119 VanDerWaalsContact C-N 3.29Å; R117-H119 PolarHBondContact O-N 3.39Å; H119-P129 HydrophobicContact CB-CB 3.83Å; H119-P129 HydrophobicContact CB-CG 3.54Å; H119-P129 WeakPolarHBondContact O-CD 3.42Å
120	V	46.8	Very low	45.7	Very low	57 Å²	57	78.2 Å²	78.2	35%	0.345	42%	0.416	S	S	.	.	I	π-helix	trans	-111.1	-44.2	178.3	-171.9	0	0	0	0	111.5	T89 V116	T89-V120 HydrophobicContact CG2-CG2 3.28Å; V116-V120 HydrophobicContact CG1-CB 4.22Å; V116-V120 HydrophobicContact CG1-CG2 4.25Å; V116-V120 WeakPolarHBondContact O-CA 3.4Å; V116-V120 WeakPolarHBondContact O-CB 3.26Å; V116-V120 PolarHBondContact O-N 3.22Å
121	Q	49	Very low	45.5	Very low	136 Å²	136	75.9 Å²	75.9	64%	0.636	39%	0.392	S	S	*	.	I	π-helix	trans	-80.2	-40.1	-177.9	-71	-174.8	-33.8	0	0	112.5	V116 R117	V116-Q121 PolarHBondContact O-N 3.39Å; R117-Q121 PolarHBondContact O-N 2.99Å
122	D	50.5	Low	45.2	Very low	115 Å²	115	72 Å²	72	62%	0.615	37%	0.372	S	S	*	.	S	Bend	trans	-92.3	10.5	-174.3	-71.8	-25.2	0	0	0	114.5	R117 P124	R117-D122 PolarHBondContact O-N 2.95Å; D122-P124 VanDerWaalsContact C-CD 3.41Å; D122-P124 WeakPolarHBondContact O-CD 3.31Å
123	N	45.6	Very low	44.8	Very low	58 Å²	58	71.8 Å²	71.8	31%	0.31	37%	0.372	S	S	.	.			trans	-116.2	75.9	179.6	-159.3	-16.4	0	0	0	113.1	E125 Q127	N123-E125 PolarHBondContact O-N 2.92Å; N123-E125 PolarHBondContact OD1-N 3.48Å; N123-Q127 PolarHBondContact ND2-O 3.47Å; N123-Q127 VanDerWaalsContact ND2-O 3.09Å
124	P	46.3	Very low	44.3	Very low	127 Å²	127	69.9 Å²	69.9	83%	0.825	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.9	177.7	27.7	-34	0	0	0	113.7	D122 G126	D122-P124 VanDerWaalsContact C-CD 3.41Å; D122-P124 WeakPolarHBondContact O-CD 3.31Å; P124-G126 PolarHBondContact O-N 2.88Å
125	E	45.1	Very low	43.5	Very low	165 Å²	165	72 Å²	72	77%	0.771	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	15	-174.4	-65.6	-163.5	153	0	0	114.9	N123 Q127	N123-E125 PolarHBondContact O-N 2.92Å; N123-E125 PolarHBondContact OD1-N 3.48Å; E125-Q127 VanDerWaalsContact C-N 3.3Å; E125-Q127 PolarHBondContact O-N 3.15Å
126	G	40.7	Very low	42.5	Very low	59 Å²	59	74.9 Å²	74.9	61%	0.608	39%	0.388	S	S	*	.			trans	72.9	16	165.5	0	0	0	0	0	115.5	P124 R128	P124-G126 PolarHBondContact O-N 2.88Å; G126-R128 PolarHBondContact O-N 3.16Å
127	Q	42.5	Very low	41.7	Very low	101 Å²	101	82 Å²	82	47%	0.472	44%	0.438	S	S	.	.			trans	-86.6	99	168.6	-70.1	-174.3	28.8	0	0	109.6	N123 E125 P129	N123-Q127 PolarHBondContact ND2-O 3.47Å; N123-Q127 VanDerWaalsContact ND2-O 3.09Å; E125-Q127 VanDerWaalsContact C-N 3.3Å; E125-Q127 PolarHBondContact O-N 3.15Å; Q127-P129 WeakPolarHBondContact O-CD 3.27Å
128	R	42.6	Very low	41.2	Very low	85 Å²	85	78.5 Å²	78.5	32%	0.321	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-72.6	122.1	178.3	-62.5	-173.2	-177.3	-155.9	-11.1	110.5	S19 D88 D90 G126 R130	S19-R128 PolarHBondContact OG-NH2 2.84Å; D88-R128 WeakPolarHBondContact OD1-CD 3.02Å; D88-R128 IonicContact OD1-NH1 3.99Å; D88-R128 VanDerWaalsContact OD2-CD 3.31Å; D88-R128 WeakPolarHBondContact OD2-CD 3.43Å; D88-R128 IonicContact OD2-CZ 3.78Å; D88-R128 IonicContact OD2-NE 3.98Å; D88-R128 IonicContact OD2-NH1 2.81Å; D88-R128 PolarHBondContact OD2-NH1 3.4Å; D90-R128 IonicContact OD2-CZ 3.12Å; D90-R128 IonicContact OD2-NE 3.93Å; D90-R128 IonicContact OD2-NH1 2.74Å; D90-R128 PolarHBondContact OD2-NH1 3.37Å; D90-R128 IonicContact OD2-NH2 3.3Å; D90-R128 PolarHBondContact OD2-NH2 2.97Å; G126-R128 PolarHBondContact O-N 3.16Å; R128-R130 PolarHBondContact O-N 3.36Å
129	P	38.9	Very low	40.8	Very low	9 Å²	9	77.6 Å²	77.6	6%	0.058	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-64	135.6	172.4	28.7	-36.5	0	0	0	109.2	T89 F115 H119 Q127	T89-P129 HydrophobicContact CG2-CG 4.29Å; T89-P129 WeakPolarHBondContact OG1-CG 3.05Å; T89-P129 PolarHBondContact OG1-O 3.48Å; F115-P129 HydrophobicContact CZ-CB 4.11Å; F115-P129 HydrophobicContact CZ-CG 4.34Å; H119-P129 HydrophobicContact CB-CB 3.83Å; H119-P129 HydrophobicContact CB-CG 3.54Å; H119-P129 WeakPolarHBondContact O-CD 3.42Å; Q127-P129 WeakPolarHBondContact O-CD 3.27Å
130	R	38.9	Very low	40.5	Very low	94 Å²	94	79.1 Å²	79.1	36%	0.355	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.1	168	-59.5	-175	85.4	-167.8	1.7	107.7	H10 Q86 R128	H10-R130 PolarHBondContact N-O 2.86Å; Q86-R130 VanDerWaalsContact CB-NH2 3.26Å; R128-R130 PolarHBondContact O-N 3.36Å
131	V	38.1	Very low	40.1	Very low	0 Å²	0	80.4 Å²	80.4	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	117	175.7	-172.1	0	0	0	0	108.1	L7 L87 L92 F115 I133	L7-V131 HydrophobicContact CD2-CG1 3.32Å; L87-V131 PolarHBondContact N-O 2.97Å; L87-V131 PolarHBondContact O-N 2.79Å; L92-V131 HydrophobicContact CD2-CB 3.83Å; L92-V131 HydrophobicContact CD2-CG1 3.76Å; L92-V131 HydrophobicContact CD2-CG2 3.71Å; F115-V131 HydrophobicContact CD1-CG2 4.38Å; F115-V131 HydrophobicContact CE1-CG2 3.29Å; F115-V131 HydrophobicContact CE2-CG2 4.25Å; F115-V131 HydrophobicContact CZ-CG2 3.23Å; V131-I133 HydrophobicContact CG1-CG1 4.05Å
132	C	38.6	Very low	39.6	Very low	17 Å²	17	76.9 Å²	76.9	12%	0.115	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.1	164.1	-63.8	0	0	0	0	107.6	Q8	Q8-C132 PolarHBondContact N-O 3.25Å; Q8-C132 WeakPolarHBondContact O-CA 3.27Å; Q8-C132 VanDerWaalsContact O-CB 3.26Å; Q8-C132 WeakPolarHBondContact O-CB 3.28Å; Q8-C132 PolarHBondContact O-N 3.15Å
133	I	39.9	Very low	38.9	Very low	15 Å²	15	74.4 Å²	74.4	8%	0.077	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	107.6	169.4	-55	176.1	0	0	0	106.7	L7 L87 L92 F102 V131 L135	L7-I133 HydrophobicContact CD2-CG1 3.99Å; L87-I133 HydrophobicContact CD1-CD1 4.15Å; L92-I133 HydrophobicContact CD1-CD1 3.7Å; F102-I133 HydrophobicContact CZ-CD1 4.38Å; V131-I133 HydrophobicContact CG1-CG1 4.05Å; I133-L135 HydrophobicContact CG2-CD2 4.34Å
134	N	34.6	Very low	38.4	Very low	50 Å²	50	75.6 Å²	75.6	27%	0.267	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.9	171.5	-71.5	-26.3	0	0	0	108.5	R6 Q8 V136	R6-N134 PolarHBondContact O-N 3.11Å; Q8-N134 PolarHBondContact OE1-ND2 3.27Å; N134-V136 PolarHBondContact O-N 3.06Å
135	L	31.8	Very low	37.8	Very low	89 Å²	89	71.6 Å²	71.6	47%	0.466	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	112.3	169.6	-52.6	170.6	0	0	0	107.2	F5 V82 I133	F5-L135 HydrophobicContact CD1-CD2 3.62Å; F5-L135 HydrophobicContact CE1-CB 4.44Å; F5-L135 HydrophobicContact CE1-CD2 3.3Å; F5-L135 HydrophobicContact CE1-CG 4.44Å; F5-L135 HydrophobicContact CZ-CD2 4.47Å; V82-L135 WeakPolarHBondContact O-CD1 3.33Å; I133-L135 HydrophobicContact CG2-CD2 4.34Å
136	V	29.1	Very low	37.1	Very low	84 Å²	84	63.8 Å²	63.8	51%	0.509	37%	0.366	S	S	.	.			trans	-100.8	123.4	170.7	-165.4	0	0	0	0	106.9	N134	N134-V136 PolarHBondContact O-N 3.06Å
137	S	30.2	Very low	36.8	Very low	163 Å²	163	64.3 Å²	64.3	100%	1.14	34%	0.344	S	S	*	.			trans	-75.1	0	174.8	60	0	0	0	0	111.6

Retrieved 137 of 137 residues in 124.3 ms (Link to these results)

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