A0A077Z069_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z069, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

						>A0A077Z069_TRITR|A0A077Z069
MNDDTATSDVDGETNGAEGDDPPFHSSECNFCRAVNASQRDGGVTGVFCGASLTVSTEGRQAEELRDADTTNVGTLSWKNVLRAICKPQFCPEAMSSNRRVPGTANSWSEAVALLGHGYTRWPFGID
					

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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	42.6	Very low	42.3	Very low	239 Å²	239	139.4 Å²	139.4	100%	1.177	80%	0.802	S	S	*	*				0	104.6	0	-77	166.2	167.9	0	0	104.8
2	N	43.6	Very low	41.2	Very low	149 Å²	149	132.5 Å²	132.5	80%	0.797	78%	0.784	S	S	*	*			trans	-81.8	121.4	179.7	-68.2	11.3	0	0	0	106.5	D4	N2-D4 PolarHBondContact O-N 3.28Å
3	D	46.2	Very low	40.5	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	78%	0.783	S	S	*	*			trans	-96.5	87.5	173.5	-146.3	-72.8	0	0	0	107.5	T5	D3-T5 VanDerWaalsContact C-N 3.34Å; D3-T5 PolarHBondContact O-N 3.03Å; D3-T5 PolarHBondContact OD1-OG1 3.48Å
4	D	46.3	Very low	40	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	78%	0.784	S	S	*	*			trans	-76.1	84.7	166.9	-76.9	-70.2	0	0	0	108.4	N2	N2-D4 PolarHBondContact O-N 3.28Å
5	T	49.5	Very low	39.6	Very low	119 Å²	119	134.8 Å²	134.8	73%	0.73	78%	0.781	S	S	*	*			trans	-110.6	78.1	162.2	-54.5	0	0	0	0	108.8	D3	D3-T5 VanDerWaalsContact C-N 3.34Å; D3-T5 PolarHBondContact O-N 3.03Å; D3-T5 PolarHBondContact OD1-OG1 3.48Å
6	A	40.4	Very low	38.8	Very low	88 Å²	88	130.4 Å²	130.4	73%	0.727	77%	0.773	S	S	*	*			trans	-103.1	98.2	168.8	0	0	0	0	0	108.9
7	T	41.3	Very low	38.2	Very low	113 Å²	113	128.2 Å²	128.2	69%	0.693	77%	0.773	S	S	*	*			trans	-176.2	108.8	148.7	41.3	0	0	0	0	108.5
8	S	40.3	Very low	38	Very low	117 Å²	117	131.1 Å²	131.1	82%	0.818	78%	0.777	S	S	*	*			trans	-148.2	82.8	150.4	-70.4	0	0	0	0	106.2	V10	S8-V10 PolarHBondContact O-N 3.12Å; S8-V10 VanDerWaalsContact O-N 3.09Å
9	D	36.7	Very low	37.4	Very low	137 Å²	137	126.9 Å²	126.9	73%	0.733	76%	0.764	S	S	*	*			trans	-49.5	106.3	153.7	-57.5	-83	0	0	0	108.4
10	V	42.4	Very low	37	Very low	130 Å²	130	128.6 Å²	128.6	79%	0.788	77%	0.768	S	S	*	*			trans	-123.3	95.6	148.5	-92.7	0	0	0	0	105	S8 G12	S8-V10 PolarHBondContact O-N 3.12Å; S8-V10 VanDerWaalsContact O-N 3.09Å; V10-G12 PolarHBondContact O-N 3.41Å
11	D	36.3	Very low	36.8	Very low	154 Å²	154	128.3 Å²	128.3	82%	0.824	76%	0.763	S	S	*	*			trans	-52.5	77.1	149.6	-71.2	-68.7	0	0	0	108	E13	D11-E13 PolarHBondContact O-N 3.06Å
12	G	29.5	Very low	36	Very low	57 Å²	57	121 Å²	121	59%	0.588	73%	0.733	S	S	*	*			trans	-71.5	82.3	160	0	0	0	0	0	106.2	V10 T14	V10-G12 PolarHBondContact O-N 3.41Å; G12-T14 PolarHBondContact O-N 3.25Å
13	E	32.1	Very low	35.5	Very low	166 Å²	166	119 Å²	119	78%	0.776	73%	0.728	S	S	*	*			trans	-50.3	89.2	143.5	-85.6	-179.5	86	0	0	105.6	D11 N15	D11-E13 PolarHBondContact O-N 3.06Å; E13-N15 PolarHBondContact O-N 2.84Å
14	T	33.7	Very low	34.9	Very low	128 Å²	128	116.7 Å²	116.7	79%	0.785	71%	0.712	S	S	*	*			trans	-64.6	85.1	156.9	42.4	0	0	0	0	103.9	G12 G16	G12-T14 PolarHBondContact O-N 3.25Å; T14-G16 VanDerWaalsContact C-N 3.25Å; T14-G16 WeakPolarHBondContact O-CA 3.3Å; T14-G16 PolarHBondContact O-N 3.34Å
15	N	32.7	Very low	34.3	Very low	138 Å²	138	116 Å²	116	74%	0.738	70%	0.704	S	S	*	*			trans	-39.7	107.9	151.9	-78	-50.9	0	0	0	104.1	E13 A17	E13-N15 PolarHBondContact O-N 2.84Å; N15-A17 PolarHBondContact O-N 3.14Å
16	G	28.2	Very low	33.7	Very low	64 Å²	64	112.7 Å²	112.7	66%	0.66	69%	0.685	S	S	*	*			trans	-44.8	121.2	-165.9	0	0	0	0	0	106.6	T14 E18	T14-G16 VanDerWaalsContact C-N 3.25Å; T14-G16 WeakPolarHBondContact O-CA 3.3Å; T14-G16 PolarHBondContact O-N 3.34Å; G16-E18 PolarHBondContact O-N 3.06Å
17	A	28.1	Very low	33.4	Very low	94 Å²	94	112.3 Å²	112.3	78%	0.777	68%	0.677	S	S	*	*			trans	-39.6	114	171.7	0	0	0	0	0	104.9	N15 G19	N15-A17 PolarHBondContact O-N 3.14Å; A17-G19 PolarHBondContact O-N 2.83Å
18	E	34.1	Very low	33	Very low	180 Å²	180	114.5 Å²	114.5	84%	0.841	68%	0.68	S	S	*	*			trans	-51.6	97.6	165.3	-69.2	-175.6	102.7	0	0	102	G16 D20	G16-E18 PolarHBondContact O-N 3.06Å; E18-D20 PolarHBondContact O-N 3.31Å; E18-D20 VanDerWaalsContact O-N 3.15Å
19	G	27.4	Very low	32.9	Very low	51 Å²	51	109.5 Å²	109.5	53%	0.526	65%	0.645	S	S	.	*			trans	-51.2	132.4	179.3	0	0	0	0	0	103.7	A17 D21	A17-G19 PolarHBondContact O-N 2.83Å; G19-D21 PolarHBondContact O-N 3.46Å
20	D	29.1	Very low	33	Very low	160 Å²	160	107.7 Å²	107.7	86%	0.856	64%	0.635	S	S	*	*			trans	-45.8	81	164.6	-103	-90.6	0	0	0	107.7	E18 P22	E18-D20 PolarHBondContact O-N 3.31Å; E18-D20 VanDerWaalsContact O-N 3.15Å; D20-P22 WeakPolarHBondContact O-CD 3.31Å; D20-P22 VanDerWaalsContact O-N 3.1Å
21	D	31.8	Very low	32.9	Very low	123 Å²	123	102.3 Å²	102.3	66%	0.658	60%	0.601	S	S	*	*			trans	-62.5	112.4	164.1	-88	-44.4	0	0	0	101.1	G19	G19-D21 PolarHBondContact O-N 3.46Å
22	P	27.6	Very low	33	Very low	85 Å²	85	95.7 Å²	95.7	55%	0.552	57%	0.567	S	S	*	*			trans	-52.1	140	-171.4	20.4	-32	0	0	0	108.3	D20 F24	D20-P22 WeakPolarHBondContact O-CD 3.31Å; D20-P22 VanDerWaalsContact O-N 3.1Å; P22-F24 PolarHBondContact O-N 3.32Å
23	P	32.8	Very low	33.5	Very low	107 Å²	107	101.3 Å²	101.3	70%	0.695	57%	0.57	S	S	*	*			trans	-51.5	110.7	-173.2	19.9	-32.2	0	0	0	108.5	H25	P23-H25 PolarHBondContact O-N 3.4Å
24	F	33.1	Very low	33.8	Very low	96 Å²	96	95.8 Å²	95.8	42%	0.421	55%	0.553	S	S	.	*			trans	-55.9	102.8	-175.4	-173	-96.2	0	0	0	107.8	P22 S26 C29 W78 L82	P22-F24 PolarHBondContact O-N 3.32Å; F24-S26 VanDerWaalsContact C-N 3.3Å; F24-S26 PolarHBondContact O-N 3.42Å; F24-C29 HydrophobicContact CE1-CB 3.61Å; F24-C29 HydrophobicContact CZ-CB 3.46Å; F24-C29 VanDerWaalsContact CZ-CB 3.46Å; F24-C29 VanDerWaalsContact CZ-SG 3.55Å; F24-W78 HydrophobicContact CE1-CZ2 4.33Å; F24-W78 AromaticContact CE1-NE1 3.96Å; F24-L82 HydrophobicContact CE1-CD1 4.4Å; F24-L82 HydrophobicContact CE2-CD1 4.45Å; F24-L82 HydrophobicContact CZ-CD1 4.01Å
25	H	33.2	Very low	34.1	Very low	130 Å²	130	90 Å²	90	60%	0.602	52%	0.517	S	S	*	.			trans	-69.6	96	178.9	-110.4	-93.2	0	0	0	107.1	P23 S27 E28	P23-H25 PolarHBondContact O-N 3.4Å; H25-S27 PolarHBondContact O-N 3.09Å; H25-E28 PolarHBondContact O-N 2.82Å
26	S	36.9	Very low	34.3	Very low	48 Å²	48	88 Å²	88	34%	0.336	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-23.5	-176.8	53.3	0	0	0	0	114.1	F24 E28 C32	F24-S26 VanDerWaalsContact C-N 3.3Å; F24-S26 PolarHBondContact O-N 3.42Å; S26-E28 VanDerWaalsContact C-N 3.34Å; S26-E28 PolarHBondContact O-N 3.2Å; S26-C32 WeakPolarHBondContact O-CB 3.42Å; S26-C32 PolarHBondContact O-SG 3Å
27	S	34.1	Very low	34.6	Very low	80 Å²	80	87.7 Å²	87.7	56%	0.559	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.5	177.2	51.1	0	0	0	0	114.8	H25	H25-S27 PolarHBondContact O-N 3.09Å
28	E	34.1	Very low	35	Very low	159 Å²	159	85.9 Å²	85.9	74%	0.743	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-11.2	-171.7	-61.8	-163.5	144.4	0	0	114	H25 S26 N30	H25-E28 PolarHBondContact O-N 2.82Å; S26-E28 VanDerWaalsContact C-N 3.34Å; S26-E28 PolarHBondContact O-N 3.2Å; E28-N30 PolarHBondContact O-N 2.72Å
29	C	37.9	Very low	35	Very low	13 Å²	13	80.4 Å²	80.4	9%	0.088	45%	0.454	C	S	.	.			trans	-67.1	123	175.1	-172.2	0	0	0	0	110.1	F24 F31 C32 R33	F24-C29 HydrophobicContact CE1-CB 3.61Å; F24-C29 HydrophobicContact CZ-CB 3.46Å; F24-C29 VanDerWaalsContact CZ-CB 3.46Å; F24-C29 VanDerWaalsContact CZ-SG 3.55Å; C29-F31 PolarHBondContact O-N 3.18Å; C29-F31 WeakPolarHBondContact SG-CB 3.18Å; C29-F31 PolarHBondContact SG-N 2.62Å; C29-F31 VanDerWaalsContact SG-N 3.35Å; C29-C32 HydrophobicContact CB-CB 4.44Å; C29-C32 PolarHBondContact O-N 2.86Å; C29-R33 PolarHBondContact O-N 3.42Å
30	N	37.5	Very low	35.3	Very low	98 Å²	98	88.8 Å²	88.8	52%	0.524	47%	0.47	S	S	.	.	H	α-helix	trans	-51.6	-25.9	171.4	-77.7	-42.7	0	0	0	112.1	E28 A34 F90	E28-N30 PolarHBondContact O-N 2.72Å; N30-A34 VanDerWaalsContact O-CB 3.31Å; N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 2.89Å; N30-F90 HydrophobicContact CB-CD1 4.39Å
31	F	40.9	Very low	35.7	Very low	18 Å²	18	88.4 Å²	88.4	8%	0.079	47%	0.467	C	S	.	.	H	α-helix	trans	-71.8	-48.5	172.5	-175.5	-106.6	0	0	0	113.5	C29 R33 A34 V35 W78 L82 I85 W108	C29-F31 PolarHBondContact O-N 3.18Å; C29-F31 WeakPolarHBondContact SG-CB 3.18Å; C29-F31 PolarHBondContact SG-N 2.62Å; C29-F31 VanDerWaalsContact SG-N 3.35Å; F31-R33 PolarHBondContact O-N 2.91Å; F31-A34 PolarHBondContact O-N 3.04Å; F31-V35 HydrophobicContact CD1-CG2 4.03Å; F31-V35 HydrophobicContact CD2-CG2 4.17Å; F31-V35 HydrophobicContact CE1-CG2 3.59Å; F31-V35 HydrophobicContact CE2-CG2 3.7Å; F31-V35 HydrophobicContact CG-CG2 4.32Å; F31-V35 HydrophobicContact CZ-CG2 3.4Å; F31-V35 VanDerWaalsContact CZ-CG2 3.4Å; F31-V35 WeakPolarHBondContact O-CB 3.28Å; F31-V35 WeakPolarHBondContact O-CG2 3.32Å; F31-V35 PolarHBondContact O-N 3.19Å; F31-W78 AromaticContact CD1-CH2 3.63Å; F31-W78 HydrophobicContact CD1-CH2 3.63Å; F31-W78 HydrophobicContact CD1-CZ2 4.2Å; F31-W78 HydrophobicContact CD1-CZ3 4.39Å; F31-W78 AromaticContact CE1-CH2 3.63Å; F31-W78 HydrophobicContact CE1-CH2 3.63Å; F31-W78 AromaticContact CE1-CZ3 3.95Å; F31-W78 HydrophobicContact CE1-CZ3 3.95Å; F31-L82 HydrophobicContact CB-CD2 4.47Å; F31-L82 HydrophobicContact CD1-CD2 3.82Å; F31-L82 HydrophobicContact CE1-CD2 4.4Å; F31-L82 HydrophobicContact CG-CD2 4.28Å; F31-I85 HydrophobicContact CD2-CG2 3.91Å; F31-I85 HydrophobicContact CE2-CB 4.17Å; F31-I85 HydrophobicContact CE2-CD1 3.83Å; F31-I85 HydrophobicContact CE2-CG2 3.5Å; F31-I85 VanDerWaalsContact CE2-CG2 3.5Å; F31-I85 HydrophobicContact CZ-CD1 3.62Å; F31-I85 HydrophobicContact CZ-CG2 4.33Å; F31-W108 HydrophobicContact CE2-CZ3 4.21Å; F31-W108 HydrophobicContact CZ-CZ3 4.08Å
32	C	38.8	Very low	35.7	Very low	14 Å²	14	85.4 Å²	85.4	10%	0.095	47%	0.466	C	S	.	.	H	α-helix	trans	-61	-33	174.2	-65.6	0	0	0	0	110.3	S26 C29 N36 C49	S26-C32 WeakPolarHBondContact O-CB 3.42Å; S26-C32 PolarHBondContact O-SG 3Å; C29-C32 HydrophobicContact CB-CB 4.44Å; C29-C32 PolarHBondContact O-N 2.86Å; C32-N36 WeakPolarHBondContact O-CB 3.27Å; C32-N36 PolarHBondContact O-N 3.23Å; C32-C49 WeakPolarHBondContact CB-SG 3.47Å; C32-C49 WeakPolarHBondContact SG-CB 3.39Å; C32-C49 CovalentContact SG-SG 2.09Å; C32-C49 PolarHBondContact SG-SG 2.82Å
33	R	39.5	Very low	36.1	Very low	175 Å²	175	81.8 Å²	81.8	66%	0.66	44%	0.444	S	S	*	.	H	α-helix	trans	-63.2	-46.8	167.8	-88	-174.4	170.4	174.5	-1.3	113.4	C29 F31 N36 A37	C29-R33 PolarHBondContact O-N 3.42Å; F31-R33 PolarHBondContact O-N 2.91Å; R33-N36 PolarHBondContact O-N 3.29Å; R33-A37 WeakPolarHBondContact O-CB 3.37Å; R33-A37 PolarHBondContact O-N 2.95Å
34	A	38.2	Very low	36.3	Very low	50 Å²	50	77.7 Å²	77.7	41%	0.413	42%	0.417	S	S	.	.	H	α-helix	trans	-64	-41.8	179.9	0	0	0	0	0	111.8	N30 F31 A37 S38	N30-A34 VanDerWaalsContact O-CB 3.31Å; N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 2.89Å; F31-A34 PolarHBondContact O-N 3.04Å; A34-A37 CarbonylContact O-C 3.53Å; A34-A37 WeakPolarHBondContact O-CB 3.42Å; A34-A37 PolarHBondContact O-N 2.81Å; A34-S38 PolarHBondContact O-N 3.42Å; A34-S38 PolarHBondContact O-OG 2.7Å
35	V	40.1	Very low	36.3	Very low	7 Å²	7	76.6 Å²	76.6	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-65.8	-43.3	175	170.4	0	0	0	0	111.1	F31 A37 S38 Q39 V47	F31-V35 HydrophobicContact CD1-CG2 4.03Å; F31-V35 HydrophobicContact CD2-CG2 4.17Å; F31-V35 HydrophobicContact CE1-CG2 3.59Å; F31-V35 HydrophobicContact CE2-CG2 3.7Å; F31-V35 HydrophobicContact CG-CG2 4.32Å; F31-V35 HydrophobicContact CZ-CG2 3.4Å; F31-V35 VanDerWaalsContact CZ-CG2 3.4Å; F31-V35 WeakPolarHBondContact O-CB 3.28Å; F31-V35 WeakPolarHBondContact O-CG2 3.32Å; F31-V35 PolarHBondContact O-N 3.19Å; V35-A37 PolarHBondContact O-N 3.43Å; V35-S38 CarbonylContact O-C 3.38Å; V35-S38 WeakPolarHBondContact O-CA 3.49Å; V35-S38 WeakPolarHBondContact O-CB 3.48Å; V35-S38 PolarHBondContact O-N 2.93Å; V35-Q39 WeakPolarHBondContact O-CG 3.27Å; V35-Q39 PolarHBondContact O-N 2.85Å; V35-V47 HydrophobicContact CG1-CB 3.56Å; V35-V47 HydrophobicContact CG1-CG1 3.9Å; V35-V47 HydrophobicContact CG1-CG2 3.2Å
36	N	37	Very low	36.4	Very low	97 Å²	97	71.2 Å²	71.2	52%	0.519	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-32.4	174.6	-156.9	2.4	0	0	0	111.4	C32 R33 Q39	C32-N36 WeakPolarHBondContact O-CB 3.27Å; C32-N36 PolarHBondContact O-N 3.23Å; R33-N36 PolarHBondContact O-N 3.29Å; N36-Q39 PolarHBondContact O-N 3.34Å; N36-Q39 PolarHBondContact OD1-OE1 2.87Å
37	A	34	Very low	36.4	Very low	57 Å²	57	70.2 Å²	70.2	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-66.3	-41.4	169.1	0	0	0	0	0	111.6	R33 A34 V35 Q39 R40	R33-A37 WeakPolarHBondContact O-CB 3.37Å; R33-A37 PolarHBondContact O-N 2.95Å; A34-A37 CarbonylContact O-C 3.53Å; A34-A37 WeakPolarHBondContact O-CB 3.42Å; A34-A37 PolarHBondContact O-N 2.81Å; V35-A37 PolarHBondContact O-N 3.43Å; A37-Q39 VanDerWaalsContact C-N 3.28Å; A37-Q39 PolarHBondContact O-N 2.88Å; A37-R40 WeakPolarHBondContact O-CB 3.25Å; A37-R40 PolarHBondContact O-N 3.05Å; A37-R40 VanDerWaalsContact O-N 3.07Å
38	S	36.8	Very low	36.4	Very low	56 Å²	56	73.9 Å²	73.9	39%	0.392	40%	0.396	S	S	.	.	H	α-helix	trans	-66.3	-23.6	175.3	-58.5	0	0	0	0	114.2	A34 V35 R40 D41	A34-S38 PolarHBondContact O-N 3.42Å; A34-S38 PolarHBondContact O-OG 2.7Å; V35-S38 CarbonylContact O-C 3.38Å; V35-S38 WeakPolarHBondContact O-CA 3.49Å; V35-S38 WeakPolarHBondContact O-CB 3.48Å; V35-S38 PolarHBondContact O-N 2.93Å; S38-R40 PolarHBondContact O-N 2.81Å; S38-D41 PolarHBondContact O-N 3.5Å
39	Q	34.3	Very low	36.3	Very low	65 Å²	65	68 Å²	68	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-30.7	170.8	-60.9	-168.2	-14.6	0	0	111.8	V35 N36 A37 D41 G42 V44	V35-Q39 WeakPolarHBondContact O-CG 3.27Å; V35-Q39 PolarHBondContact O-N 2.85Å; N36-Q39 PolarHBondContact O-N 3.34Å; N36-Q39 PolarHBondContact OD1-OE1 2.87Å; A37-Q39 VanDerWaalsContact C-N 3.28Å; A37-Q39 PolarHBondContact O-N 2.88Å; Q39-D41 VanDerWaalsContact C-N 3.28Å; Q39-D41 PolarHBondContact O-N 3.37Å; Q39-G42 PolarHBondContact O-N 2.86Å; Q39-V44 WeakPolarHBondContact CB-O 3.48Å; Q39-V44 HydrophobicContact CG-CB 4.33Å; Q39-V44 HydrophobicContact CG-CG1 4.43Å; Q39-V44 VanDerWaalsContact CG-O 3.24Å; Q39-V44 WeakPolarHBondContact CG-O 3.15Å
40	R	33.9	Very low	36.2	Very low	227 Å²	227	69.3 Å²	69.3	86%	0.857	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-24	178.8	-67.2	-173.2	170	-152.4	-2.8	113.4	A37 S38 G42	A37-R40 WeakPolarHBondContact O-CB 3.25Å; A37-R40 PolarHBondContact O-N 3.05Å; A37-R40 VanDerWaalsContact O-N 3.07Å; S38-R40 PolarHBondContact O-N 2.81Å; R40-G42 VanDerWaalsContact C-N 3.26Å; R40-G42 PolarHBondContact O-N 3.17Å
41	D	36.7	Very low	35.9	Very low	151 Å²	151	69.1 Å²	69.1	81%	0.807	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	12.3	177.2	-72.8	-32.4	0	0	0	113.1	S38 Q39	S38-D41 PolarHBondContact O-N 3.5Å; Q39-D41 VanDerWaalsContact C-N 3.28Å; Q39-D41 PolarHBondContact O-N 3.37Å
42	G	32.9	Very low	35.6	Very low	60 Å²	60	70.3 Å²	70.3	62%	0.619	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	12.5	160.7	0	0	0	0	0	116.9	Q39 R40	Q39-G42 PolarHBondContact O-N 2.86Å; R40-G42 VanDerWaalsContact C-N 3.26Å; R40-G42 PolarHBondContact O-N 3.17Å
43	G	35.6	Very low	35.5	Very low	10 Å²	10	70.1 Å²	70.1	10%	0.103	41%	0.408	C	S	.	.	S	Bend	trans	-104.3	-38.3	179.3	0	0	0	0	0	115.8	Q61	G43-Q61 PolarHBondContact O-OE1 3.38Å
44	V	37	Very low	35.4	Very low	21 Å²	21	65.3 Å²	65.3	13%	0.127	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-107.1	107	-171.3	-176.2	0	0	0	0	108.7	Q39 V47	Q39-V44 WeakPolarHBondContact CB-O 3.48Å; Q39-V44 HydrophobicContact CG-CB 4.33Å; Q39-V44 HydrophobicContact CG-CG1 4.43Å; Q39-V44 VanDerWaalsContact CG-O 3.24Å; Q39-V44 WeakPolarHBondContact CG-O 3.15Å; V44-V47 HydrophobicContact CG1-CG2 3.47Å; V44-V47 VanDerWaalsContact CG1-CG2 3.47Å
45	T	33.8	Very low	35.4	Very low	73 Å²	73	65.7 Å²	65.7	45%	0.448	40%	0.395	S	S	.	.	S	Bend	trans	-84.1	-10.6	-174.1	51.3	0	0	0	0	113.9	S56 E58	T45-S56 PolarHBondContact N-O 3.44Å; T45-S56 WeakPolarHBondContact OG1-CB 3.23Å; T45-S56 PolarHBondContact OG1-O 3.42Å; T45-S56 PolarHBondContact OG1-OG 3.21Å; T45-E58 HydrophobicContact CG2-CG 3.96Å
46	G	33.5	Very low	35.1	Very low	16 Å²	16	68.1 Å²	68.1	17%	0.165	41%	0.413	C	S	.	.			trans	-173.9	135.1	174	0	0	0	0	0	110.9
47	V	38.1	Very low	35	Very low	28 Å²	28	65.4 Å²	65.4	17%	0.17	40%	0.399	C	S	.	.			trans	-124.5	114.9	164	167.8	0	0	0	0	107.5	V35 V44 C49 L53	V35-V47 HydrophobicContact CG1-CB 3.56Å; V35-V47 HydrophobicContact CG1-CG1 3.9Å; V35-V47 HydrophobicContact CG1-CG2 3.2Å; V44-V47 HydrophobicContact CG1-CG2 3.47Å; V44-V47 VanDerWaalsContact CG1-CG2 3.47Å; V47-C49 PolarHBondContact O-N 2.95Å; V47-L53 HydrophobicContact CB-CD1 4.01Å; V47-L53 HydrophobicContact CG1-CD1 3.33Å; V47-L53 HydrophobicContact CG2-CD1 3.68Å
48	F	32.9	Very low	34.9	Very low	156 Å²	156	68.9 Å²	68.9	68%	0.684	41%	0.406	S	S	*	.			trans	-87.4	102.9	169.2	-64	-84.8	0	0	0	106.8	G50	F48-G50 VanDerWaalsContact C-N 3.26Å; F48-G50 PolarHBondContact O-N 3.36Å
49	C	33.9	Very low	34.5	Very low	37 Å²	37	69 Å²	69	25%	0.25	42%	0.416	C	S	.	.			trans	-72.2	89.4	170	-69.7	0	0	0	0	107.5	C32 V47 W78	C32-C49 WeakPolarHBondContact CB-SG 3.47Å; C32-C49 WeakPolarHBondContact SG-CB 3.39Å; C32-C49 CovalentContact SG-SG 2.09Å; C32-C49 PolarHBondContact SG-SG 2.82Å; V47-C49 PolarHBondContact O-N 2.95Å; C49-W78 HydrophobicContact CB-CH2 4.35Å; C49-W78 HydrophobicContact CB-CZ2 4.31Å; C49-W78 VanDerWaalsContact SG-CH2 3.57Å
50	G	35.5	Very low	34.4	Very low	39 Å²	39	76.2 Å²	76.2	40%	0.402	44%	0.441	S	S	.	.	S	Bend	trans	-135.4	-153.5	171	0	0	0	0	0	110.3	F48 S52 W78	F48-G50 VanDerWaalsContact C-N 3.26Å; F48-G50 PolarHBondContact O-N 3.36Å; G50-S52 PolarHBondContact O-N 3.08Å; G50-S52 VanDerWaalsContact O-N 3.14Å; G50-W78 VanDerWaalsContact O-CB 3.3Å; G50-W78 WeakPolarHBondContact O-CB 3.41Å; G50-W78 VanDerWaalsContact O-CG 3.28Å
51	A	30.8	Very low	34.5	Very low	94 Å²	94	68.5 Å²	68.5	78%	0.777	41%	0.414	S	S	*	.	S	Bend	trans	-63.2	-16.4	175.3	0	0	0	0	0	113.7	W78	A51-W78 VanDerWaalsContact O-CB 3.28Å; A51-W78 WeakPolarHBondContact O-CB 3.28Å; A51-W78 PolarHBondContact O-N 3.41Å
52	S	33.9	Very low	34.4	Very low	44 Å²	44	63 Å²	63	31%	0.308	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.9	-179.6	47.9	0	0	0	0	111.2	G50 T75	G50-S52 PolarHBondContact O-N 3.08Å; G50-S52 VanDerWaalsContact O-N 3.14Å; S52-T75 VanDerWaalsContact CB-CG2 3.44Å
53	L	37.7	Very low	34.4	Very low	10 Å²	10	66.1 Å²	66.1	5%	0.052	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.4	163.2	175.8	61.7	0	0	0	108.2	V47 V55 L76 W78 V81	V47-L53 HydrophobicContact CB-CD1 4.01Å; V47-L53 HydrophobicContact CG1-CD1 3.33Å; V47-L53 HydrophobicContact CG2-CD1 3.68Å; L53-V55 HydrophobicContact CD1-CG2 4.31Å; L53-V55 HydrophobicContact CD2-CG2 3.73Å; L53-V55 HydrophobicContact CG-CG2 3.75Å; L53-L76 PolarHBondContact N-O 3.2Å; L53-W78 HydrophobicContact CB-CE3 3.87Å; L53-W78 HydrophobicContact CB-CZ3 4.1Å; L53-W78 HydrophobicContact CD1-CZ3 4.13Å; L53-V81 HydrophobicContact CB-CG2 4.3Å; L53-V81 HydrophobicContact CD2-CG1 3.76Å; L53-V81 HydrophobicContact CD2-CG2 4.24Å
54	T	36.2	Very low	34.4	Very low	74 Å²	74	72.4 Å²	72.4	45%	0.454	42%	0.415	S	S	.	.			trans	-95.9	111.8	164.9	-55.6	0	0	0	0	108.1
55	V	39.5	Very low	34.1	Very low	58 Å²	58	73.7 Å²	73.7	35%	0.352	42%	0.421	S	S	.	.			trans	-90	106.6	170.9	-173.1	0	0	0	0	107.6	L53 T57	L53-V55 HydrophobicContact CD1-CG2 4.31Å; L53-V55 HydrophobicContact CD2-CG2 3.73Å; L53-V55 HydrophobicContact CG-CG2 3.75Å; V55-T57 HydrophobicContact CG1-CG2 3.99Å
56	S	33.2	Very low	33.8	Very low	58 Å²	58	79 Å²	79	41%	0.406	43%	0.433	S	S	.	.			trans	-93	105.7	170.5	179.8	0	0	0	0	109	T45	T45-S56 PolarHBondContact N-O 3.44Å; T45-S56 WeakPolarHBondContact OG1-CB 3.23Å; T45-S56 PolarHBondContact OG1-O 3.42Å; T45-S56 PolarHBondContact OG1-OG 3.21Å
57	T	35.6	Very low	33.7	Very low	39 Å²	39	85.4 Å²	85.4	24%	0.239	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-94.7	137.1	172.1	55.8	0	0	0	0	110.4	V55 Q61 L65	V55-T57 HydrophobicContact CG1-CG2 3.99Å; T57-Q61 HydrophobicContact CG2-CB 4.13Å; T57-L65 HydrophobicContact CG2-CD1 3.64Å
58	E	31.3	Very low	33.4	Very low	131 Å²	131	86.9 Å²	86.9	61%	0.612	48%	0.478	S	S	*	.			trans	-68.8	152.8	166.6	-66.8	-173.5	175.6	0	0	110.6	T45 R60 Q61 A62	T45-E58 HydrophobicContact CG2-CG 3.96Å; E58-R60 PolarHBondContact O-N 3.22Å; E58-Q61 PolarHBondContact O-N 3.08Å; E58-A62 PolarHBondContact O-N 3.01Å
59	G	29.1	Very low	33.2	Very low	59 Å²	59	86 Å²	86	61%	0.608	48%	0.48	S	S	*	.	H	α-helix	trans	-51.5	-25.6	-164.7	0	0	0	0	0	116.6	A62 E63	G59-A62 PolarHBondContact O-N 2.88Å; G59-E63 PolarHBondContact O-N 2.84Å
60	R	31.9	Very low	33	Very low	215 Å²	215	85.3 Å²	85.3	81%	0.811	48%	0.475	S	S	*	.	H	α-helix	trans	-67.9	-36	175.4	-116.3	-177.3	173.6	-176.4	-3.3	113.6	E58 E63 E64	E58-R60 PolarHBondContact O-N 3.22Å; R60-E63 WeakPolarHBondContact O-CB 3.24Å; R60-E64 PolarHBondContact O-N 3.15Å
61	Q	36	Very low	32.5	Very low	65 Å²	65	88.6 Å²	88.6	30%	0.304	49%	0.488	S	S	.	.	H	α-helix	trans	-82.7	-26.1	175.7	-74.3	-179.3	-7.7	0	0	111.9	G43 T57 E58 E63 E64 L65	G43-Q61 PolarHBondContact O-OE1 3.38Å; T57-Q61 HydrophobicContact CG2-CB 4.13Å; E58-Q61 PolarHBondContact O-N 3.08Å; Q61-E63 PolarHBondContact O-N 2.76Å; Q61-E64 PolarHBondContact O-N 3.36Å; Q61-L65 VanDerWaalsContact O-CB 3.23Å; Q61-L65 WeakPolarHBondContact O-CB 3.45Å; Q61-L65 VanDerWaalsContact O-CG 3.28Å; Q61-L65 WeakPolarHBondContact O-CG 3.19Å; Q61-L65 PolarHBondContact O-N 3.26Å
62	A	34.3	Very low	32.5	Very low	35 Å²	35	90.2 Å²	90.2	29%	0.289	48%	0.483	S	S	.	.	H	α-helix	trans	-63	-31.5	168.6	0	0	0	0	0	111.6	E58 G59 R66	E58-A62 PolarHBondContact O-N 3.01Å; G59-A62 PolarHBondContact O-N 2.88Å; A62-R66 VanDerWaalsContact O-CB 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 VanDerWaalsContact O-CG 3.28Å; A62-R66 WeakPolarHBondContact O-CG 3.49Å; A62-R66 PolarHBondContact O-N 3.47Å
63	E	33.8	Very low	32.4	Very low	126 Å²	126	95.1 Å²	95.1	59%	0.589	51%	0.511	S	S	*	.	H	α-helix	trans	-66.7	-49.5	170.7	-106.9	175.3	172.5	0	0	112.1	G59 R60 Q61 L65 R66 D67	G59-E63 PolarHBondContact O-N 2.84Å; R60-E63 WeakPolarHBondContact O-CB 3.24Å; Q61-E63 PolarHBondContact O-N 2.76Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 2.9Å; E63-R66 PolarHBondContact O-N 3.41Å; E63-R66 VanDerWaalsContact O-N 3.14Å; E63-D67 PolarHBondContact O-N 3.29Å
64	E	33.7	Very low	32.2	Very low	142 Å²	142	96.6 Å²	96.6	66%	0.664	53%	0.529	S	S	*	.	H	α-helix	trans	-61.4	-35.7	175.9	-70.4	-179.1	167.7	0	0	112.4	R60 Q61 A68	R60-E64 PolarHBondContact O-N 3.15Å; Q61-E64 PolarHBondContact O-N 3.36Å; E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 3.41Å
65	L	31.9	Very low	32.1	Very low	49 Å²	49	98.4 Å²	98.4	26%	0.257	54%	0.54	S	S	.	.	H	α-helix	trans	-72.1	-38.2	173.9	-77.7	169.8	0	0	0	112.3	T57 Q61 E63 A68 D69 T70 V112	T57-L65 HydrophobicContact CG2-CD1 3.64Å; Q61-L65 VanDerWaalsContact O-CB 3.23Å; Q61-L65 WeakPolarHBondContact O-CB 3.45Å; Q61-L65 VanDerWaalsContact O-CG 3.28Å; Q61-L65 WeakPolarHBondContact O-CG 3.19Å; Q61-L65 PolarHBondContact O-N 3.26Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 2.9Å; L65-A68 CarbonylContact O-C 3.56Å; L65-A68 PolarHBondContact O-N 3.43Å; L65-D69 PolarHBondContact O-N 3.19Å; L65-T70 WeakPolarHBondContact CA-OG1 3.47Å; L65-T70 VanDerWaalsContact CB-OG1 3.25Å; L65-T70 WeakPolarHBondContact CB-OG1 3.22Å; L65-T70 HydrophobicContact CD2-CG2 4.33Å; L65-T70 VanDerWaalsContact CD2-OG1 3.32Å; L65-T70 WeakPolarHBondContact CD2-OG1 3.39Å; L65-T70 WeakPolarHBondContact O-CB 3.3Å; L65-T70 PolarHBondContact O-N 3.19Å; L65-T70 PolarHBondContact O-OG1 2.91Å; L65-V112 HydrophobicContact CD2-CG1 4.07Å
66	R	28.2	Very low	32	Very low	185 Å²	185	98.5 Å²	98.5	70%	0.698	54%	0.538	S	S	*	.	H	α-helix	trans	-63.1	-42.6	171.6	-86.5	-179.6	88.3	179.6	6.4	111.6	A62 E63 A68 D69	A62-R66 VanDerWaalsContact O-CB 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.37Å; A62-R66 VanDerWaalsContact O-CG 3.28Å; A62-R66 WeakPolarHBondContact O-CG 3.49Å; A62-R66 PolarHBondContact O-N 3.47Å; E63-R66 PolarHBondContact O-N 3.41Å; E63-R66 VanDerWaalsContact O-N 3.14Å; R66-A68 PolarHBondContact O-N 2.88Å; R66-D69 PolarHBondContact O-N 2.96Å
67	D	31.1	Very low	32.2	Very low	149 Å²	149	98.2 Å²	98.2	80%	0.797	54%	0.536	S	S	*	.	H	α-helix	trans	-65.5	-29.2	176.1	-81.1	-5.5	0	0	0	111.7	E63 D69	E63-D67 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact O-N 3.41Å
68	A	31.5	Very low	32.4	Very low	59 Å²	59	97.4 Å²	97.4	49%	0.488	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	12.5	171.2	0	0	0	0	0	114.1	E64 L65 R66 T70	E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 3.41Å; L65-A68 CarbonylContact O-C 3.56Å; L65-A68 PolarHBondContact O-N 3.43Å; R66-A68 PolarHBondContact O-N 2.88Å; A68-T70 HydrophobicContact CB-CG2 3.75Å; A68-T70 VanDerWaalsContact O-CG2 3.3Å; A68-T70 WeakPolarHBondContact O-CG2 3.5Å; A68-T70 PolarHBondContact O-N 2.82Å; A68-T70 VanDerWaalsContact O-N 3.12Å
69	D	27.6	Very low	32.9	Very low	137 Å²	137	97.1 Å²	97.1	73%	0.733	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	19.7	-177.6	-124.5	-9.9	0	0	0	113.2	L65 R66 D67 T71	L65-D69 PolarHBondContact O-N 3.19Å; R66-D69 PolarHBondContact O-N 2.96Å; D67-D69 PolarHBondContact O-N 3.41Å; D69-T71 PolarHBondContact O-N 3.21Å
70	T	30.2	Very low	33.5	Very low	24 Å²	24	97 Å²	97	15%	0.147	51%	0.511	C	S	.	.			trans	-89.3	59.9	-178.1	82.1	0	0	0	0	110.2	L65 A68 N72	L65-T70 WeakPolarHBondContact CA-OG1 3.47Å; L65-T70 VanDerWaalsContact CB-OG1 3.25Å; L65-T70 WeakPolarHBondContact CB-OG1 3.22Å; L65-T70 HydrophobicContact CD2-CG2 4.33Å; L65-T70 VanDerWaalsContact CD2-OG1 3.32Å; L65-T70 WeakPolarHBondContact CD2-OG1 3.39Å; L65-T70 WeakPolarHBondContact O-CB 3.3Å; L65-T70 PolarHBondContact O-N 3.19Å; L65-T70 PolarHBondContact O-OG1 2.91Å; A68-T70 HydrophobicContact CB-CG2 3.75Å; A68-T70 VanDerWaalsContact O-CG2 3.3Å; A68-T70 WeakPolarHBondContact O-CG2 3.5Å; A68-T70 PolarHBondContact O-N 2.82Å; A68-T70 VanDerWaalsContact O-N 3.12Å; T70-N72 PolarHBondContact O-N 3.21Å
71	T	26	Very low	34.1	Very low	108 Å²	108	86.8 Å²	86.8	66%	0.663	47%	0.472	S	S	*	.			trans	-74.8	22.9	171.3	-28.5	0	0	0	0	112.7	D69	D69-T71 PolarHBondContact O-N 3.21Å
72	N	29.8	Very low	34.3	Very low	128 Å²	128	84.6 Å²	84.6	68%	0.684	46%	0.463	S	S	*	.			trans	-107.5	77	172.4	-79.8	-34.4	0	0	0	109.4	T70 G74	T70-N72 PolarHBondContact O-N 3.21Å; N72-G74 PolarHBondContact O-N 3.32Å
73	V	31.6	Very low	34.6	Very low	147 Å²	147	87.8 Å²	87.8	89%	0.891	47%	0.467	S	S	*	.			trans	-71.8	64	151.8	-169.1	0	0	0	0	106.9
74	G	33.7	Very low	35	Very low	41 Å²	41	81.8 Å²	81.8	42%	0.423	44%	0.439	S	S	.	.			trans	-92.3	141.3	174.7	0	0	0	0	0	109.1	N72 L76	N72-G74 PolarHBondContact O-N 3.32Å; G74-L76 PolarHBondContact O-N 3.32Å
75	T	33.6	Very low	35.3	Very low	112 Å²	112	76.3 Å²	76.3	69%	0.687	41%	0.414	S	S	*	.			trans	-61.4	103.5	163.3	-52.1	0	0	0	0	107.7	S52	S52-T75 VanDerWaalsContact CB-CG2 3.44Å
76	L	38.9	Very low	35.6	Very low	60 Å²	60	74.5 Å²	74.5	31%	0.314	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.8	173.3	-68.9	159.8	0	0	0	108.1	L53 G74 W78 V81 L115	L53-L76 PolarHBondContact N-O 3.2Å; G74-L76 PolarHBondContact O-N 3.32Å; L76-W78 PolarHBondContact O-N 3.45Å; L76-V81 HydrophobicContact CB-CG2 3.58Å; L76-V81 HydrophobicContact CD1-CG2 4.17Å; L76-V81 HydrophobicContact CG-CG2 4.48Å; L76-L115 HydrophobicContact CD1-CD1 4.17Å; L76-L115 HydrophobicContact CD1-CD2 3.65Å; L76-L115 HydrophobicContact CD1-CG 4.4Å; L76-L115 HydrophobicContact CD2-CD2 3.97Å; L76-L115 HydrophobicContact CG-CD2 4.45Å
77	S	36.6	Very low	36	Very low	51 Å²	51	68.4 Å²	68.4	36%	0.357	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.4	171.4	86.4	0	0	0	0	108.7	K79 N80 V81	S77-K79 PolarHBondContact O-N 3.03Å; S77-N80 WeakPolarHBondContact O-CB 3.43Å; S77-N80 PolarHBondContact O-N 3.13Å; S77-N80 PolarHBondContact OG-ND2 2.96Å; S77-N80 PolarHBondContact OG-OD1 3.28Å; S77-V81 PolarHBondContact O-N 3.45Å
78	W	39.3	Very low	36.3	Very low	22 Å²	22	64.8 Å²	64.8	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-55.8	-36.6	-176.5	179.4	-113.5	0	0	0	112.3	F24 F31 C49 G50 A51 L53 L76 N80 V81 L82	F24-W78 HydrophobicContact CE1-CZ2 4.33Å; F24-W78 AromaticContact CE1-NE1 3.96Å; F31-W78 AromaticContact CD1-CH2 3.63Å; F31-W78 HydrophobicContact CD1-CH2 3.63Å; F31-W78 HydrophobicContact CD1-CZ2 4.2Å; F31-W78 HydrophobicContact CD1-CZ3 4.39Å; F31-W78 AromaticContact CE1-CH2 3.63Å; F31-W78 HydrophobicContact CE1-CH2 3.63Å; F31-W78 AromaticContact CE1-CZ3 3.95Å; F31-W78 HydrophobicContact CE1-CZ3 3.95Å; C49-W78 HydrophobicContact CB-CH2 4.35Å; C49-W78 HydrophobicContact CB-CZ2 4.31Å; C49-W78 VanDerWaalsContact SG-CH2 3.57Å; G50-W78 VanDerWaalsContact O-CB 3.3Å; G50-W78 WeakPolarHBondContact O-CB 3.41Å; G50-W78 VanDerWaalsContact O-CG 3.28Å; A51-W78 VanDerWaalsContact O-CB 3.28Å; A51-W78 WeakPolarHBondContact O-CB 3.28Å; A51-W78 PolarHBondContact O-N 3.41Å; L53-W78 HydrophobicContact CB-CE3 3.87Å; L53-W78 HydrophobicContact CB-CZ3 4.1Å; L53-W78 HydrophobicContact CD1-CZ3 4.13Å; L76-W78 PolarHBondContact O-N 3.45Å; W78-N80 PolarHBondContact O-N 2.87Å; W78-V81 PolarHBondContact O-N 3.28Å; W78-L82 HydrophobicContact CD2-CD1 4.4Å; W78-L82 HydrophobicContact CD2-CG 4.18Å; W78-L82 HydrophobicContact CG-CD1 4.38Å; W78-L82 HydrophobicContact CG-CG 4.43Å; W78-L82 HydrophobicContact CH2-CD2 4.37Å; W78-L82 HydrophobicContact CZ2-CD1 4.23Å; W78-L82 HydrophobicContact CZ2-CD2 3.84Å; W78-L82 HydrophobicContact CZ2-CG 4.12Å; W78-L82 WeakPolarHBondContact O-CB 3.44Å; W78-L82 WeakPolarHBondContact O-CG 3.46Å; W78-L82 PolarHBondContact O-N 3.36Å
79	K	42.3	Very low	36.3	Very low	125 Å²	125	68 Å²	68	54%	0.543	37%	0.374	S	S	.	.	H	α-helix	trans	-56.4	-37.5	174.9	-169.5	172.2	-175.2	169.6	0	112	S77 R83	S77-K79 PolarHBondContact O-N 3.03Å; K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 2.06Å; K79-R83 VanDerWaalsContact O-N 3.13Å
80	N	40.8	Very low	36.7	Very low	57 Å²	57	66 Å²	66	31%	0.305	36%	0.358	S	S	.	.	H	α-helix	trans	-79.1	-38.9	-178.1	-65.4	-5.3	0	0	0	111.8	S77 W78 R83 A84 W122	S77-N80 WeakPolarHBondContact O-CB 3.43Å; S77-N80 PolarHBondContact O-N 3.13Å; S77-N80 PolarHBondContact OG-ND2 2.96Å; S77-N80 PolarHBondContact OG-OD1 3.28Å; W78-N80 PolarHBondContact O-N 2.87Å; N80-R83 PolarHBondContact O-N 2.94Å; N80-A84 PolarHBondContact O-N 2.8Å; N80-A84 VanDerWaalsContact O-N 3.08Å; N80-W122 HydrophobicContact CB-CH2 3.74Å; N80-W122 HydrophobicContact CB-CZ3 3.75Å; N80-W122 VanDerWaalsContact OD1-CZ3 3.3Å; N80-W122 WeakPolarHBondContact OD1-CZ3 3.34Å
81	V	44.8	Very low	37	Very low	1 Å²	1	65.7 Å²	65.7	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-63.3	-47.7	174.3	178.5	0	0	0	0	110.9	L53 L76 S77 W78 R83 A84 I85	L53-V81 HydrophobicContact CB-CG2 4.3Å; L53-V81 HydrophobicContact CD2-CG1 3.76Å; L53-V81 HydrophobicContact CD2-CG2 4.24Å; L76-V81 HydrophobicContact CB-CG2 3.58Å; L76-V81 HydrophobicContact CD1-CG2 4.17Å; L76-V81 HydrophobicContact CG-CG2 4.48Å; S77-V81 PolarHBondContact O-N 3.45Å; W78-V81 PolarHBondContact O-N 3.28Å; V81-R83 PolarHBondContact O-N 3.36Å; V81-A84 PolarHBondContact O-N 3.27Å; V81-I85 HydrophobicContact CG1-CD1 3.48Å; V81-I85 VanDerWaalsContact CG1-CD1 3.48Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.47Å; V81-I85 PolarHBondContact O-N 3.06Å
82	L	40.2	Very low	37.4	Very low	19 Å²	19	64.9 Å²	64.9	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-42.7	177.3	-75	-175.4	0	0	0	111.4	F24 F31 W78 A84 I85 C86	F24-L82 HydrophobicContact CE1-CD1 4.4Å; F24-L82 HydrophobicContact CE2-CD1 4.45Å; F24-L82 HydrophobicContact CZ-CD1 4.01Å; F31-L82 HydrophobicContact CB-CD2 4.47Å; F31-L82 HydrophobicContact CD1-CD2 3.82Å; F31-L82 HydrophobicContact CE1-CD2 4.4Å; F31-L82 HydrophobicContact CG-CD2 4.28Å; W78-L82 HydrophobicContact CD2-CD1 4.4Å; W78-L82 HydrophobicContact CD2-CG 4.18Å; W78-L82 HydrophobicContact CG-CD1 4.38Å; W78-L82 HydrophobicContact CG-CG 4.43Å; W78-L82 HydrophobicContact CH2-CD2 4.37Å; W78-L82 HydrophobicContact CZ2-CD1 4.23Å; W78-L82 HydrophobicContact CZ2-CD2 3.84Å; W78-L82 HydrophobicContact CZ2-CG 4.12Å; W78-L82 WeakPolarHBondContact O-CB 3.44Å; W78-L82 WeakPolarHBondContact O-CG 3.46Å; W78-L82 PolarHBondContact O-N 3.36Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.02Å; L82-I85 PolarHBondContact O-N 2.95Å; L82-C86 WeakPolarHBondContact O-CA 3.47Å; L82-C86 WeakPolarHBondContact O-CB 3.45Å; L82-C86 PolarHBondContact O-N 3.44Å
83	R	40.6	Very low	37.6	Very low	101 Å²	101	64.7 Å²	64.7	38%	0.381	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-37.1	175.9	-83.5	-176.7	-177.2	-172.1	1.2	113.6	K79 N80 V81 W122	K79-R83 WeakPolarHBondContact O-CG 3.36Å; K79-R83 PolarHBondContact O-N 2.06Å; K79-R83 VanDerWaalsContact O-N 3.13Å; N80-R83 PolarHBondContact O-N 2.94Å; V81-R83 PolarHBondContact O-N 3.36Å; R83-W122 HydrophobicContact CB-CH2 4.17Å; R83-W122 HydrophobicContact CB-CZ2 4.32Å
84	A	41.8	Very low	37.7	Very low	1 Å²	1	60.1 Å²	60.1	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-73.6	-38	-180	0	0	0	0	0	112.5	N80 V81 L82 A105	N80-A84 PolarHBondContact O-N 2.8Å; N80-A84 VanDerWaalsContact O-N 3.08Å; V81-A84 PolarHBondContact O-N 3.27Å; L82-A84 VanDerWaalsContact C-N 3.31Å; L82-A84 PolarHBondContact O-N 3.02Å; A84-A105 PolarHBondContact O-N 3.14Å; A84-A105 VanDerWaalsContact O-N 3.08Å
85	I	41.5	Very low	37.3	Very low	26 Å²	26	62.7 Å²	62.7	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-98	-37.4	-171.9	-55.6	175.1	0	0	0	113	F31 V81 L82 K87 W108 A111	F31-I85 HydrophobicContact CD2-CG2 3.91Å; F31-I85 HydrophobicContact CE2-CB 4.17Å; F31-I85 HydrophobicContact CE2-CD1 3.83Å; F31-I85 HydrophobicContact CE2-CG2 3.5Å; F31-I85 VanDerWaalsContact CE2-CG2 3.5Å; F31-I85 HydrophobicContact CZ-CD1 3.62Å; F31-I85 HydrophobicContact CZ-CG2 4.33Å; V81-I85 HydrophobicContact CG1-CD1 3.48Å; V81-I85 VanDerWaalsContact CG1-CD1 3.48Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.47Å; V81-I85 PolarHBondContact O-N 3.06Å; L82-I85 PolarHBondContact O-N 2.95Å; I85-K87 PolarHBondContact O-N 3.36Å; I85-W108 HydrophobicContact CD1-CE3 4.24Å; I85-W108 HydrophobicContact CD1-CZ3 3.79Å; I85-A111 HydrophobicContact CD1-CB 4.34Å; I85-A111 HydrophobicContact CG1-CB 3.71Å
86	C	37.4	Very low	37.4	Very low	11 Å²	11	63.1 Å²	63.1	7%	0.074	34%	0.336	C	S	.	.			trans	-67.2	102.4	173.8	-83.6	0	0	0	0	108.5	L82 F90 C91	L82-C86 WeakPolarHBondContact O-CA 3.47Å; L82-C86 WeakPolarHBondContact O-CB 3.45Å; L82-C86 PolarHBondContact O-N 3.44Å; C86-F90 HydrophobicContact CB-CB 4.17Å; C86-C91 HydrophobicContact CB-CB 3.45Å; C86-C91 VanDerWaalsContact CB-CB 3.45Å; C86-C91 WeakPolarHBondContact CB-SG 3.33Å; C86-C91 WeakPolarHBondContact SG-CB 3.24Å; C86-C91 CovalentContact SG-SG 2.06Å; C86-C91 PolarHBondContact SG-SG 3.33Å
87	K	36.5	Very low	37.1	Very low	58 Å²	58	63.2 Å²	63.2	25%	0.252	34%	0.342	S	S	.	.			trans	-47.3	146.8	147	-68.4	-175	177.4	179.4	0	108.3	I85 Q89 F90 N106	I85-K87 PolarHBondContact O-N 3.36Å; K87-Q89 HydrophobicContact CB-CG 3.79Å; K87-Q89 PolarHBondContact O-N 3.07Å; K87-F90 HydrophobicContact CB-CD2 3.79Å; K87-F90 HydrophobicContact CB-CE2 4.04Å; K87-F90 HydrophobicContact CD-CE2 4.36Å; K87-F90 HydrophobicContact CG-CE2 4.41Å; K87-F90 PolarHBondContact O-N 3.02Å; K87-N106 WeakPolarHBondContact CE-OD1 3.44Å
88	P	37.2	Very low	36.5	Very low	72 Å²	72	68.5 Å²	68.5	47%	0.468	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-30.2	-179.7	-28.9	33.6	0	0	0	114.3	F90 C91 M95	P88-F90 VanDerWaalsContact C-N 3.31Å; P88-F90 PolarHBondContact O-N 3.37Å; P88-C91 CarbonylContact O-C 3.6Å; P88-M95 HydrophobicContact CB-CE 3.97Å; P88-M95 HydrophobicContact CB-CG 4.07Å; P88-M95 VanDerWaalsContact O-CE 3.25Å; P88-M95 WeakPolarHBondContact O-CE 3.47Å
89	Q	31.5	Very low	35.9	Very low	128 Å²	128	77 Å²	77	60%	0.598	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.5	176	70.1	-156.9	39.2	0	0	115.8	K87	K87-Q89 HydrophobicContact CB-CG 3.79Å; K87-Q89 PolarHBondContact O-N 3.07Å
90	F	36.6	Very low	35.1	Very low	93 Å²	93	82.5 Å²	82.5	41%	0.408	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-18.1	-178.4	-61.8	-65.8	0	0	0	113.1	N30 C86 K87 P88	N30-F90 HydrophobicContact CB-CD1 4.39Å; C86-F90 HydrophobicContact CB-CB 4.17Å; K87-F90 HydrophobicContact CB-CD2 3.79Å; K87-F90 HydrophobicContact CB-CE2 4.04Å; K87-F90 HydrophobicContact CD-CE2 4.36Å; K87-F90 HydrophobicContact CG-CE2 4.41Å; K87-F90 PolarHBondContact O-N 3.02Å; P88-F90 VanDerWaalsContact C-N 3.31Å; P88-F90 PolarHBondContact O-N 3.37Å
91	C	35.3	Very low	34.6	Very low	19 Å²	19	81.3 Å²	81.3	13%	0.128	41%	0.41	C	S	.	.			trans	-135.3	78.7	178	-75.2	0	0	0	0	108.2	C86 P88 E93 A94	C86-C91 HydrophobicContact CB-CB 3.45Å; C86-C91 VanDerWaalsContact CB-CB 3.45Å; C86-C91 WeakPolarHBondContact CB-SG 3.33Å; C86-C91 WeakPolarHBondContact SG-CB 3.24Å; C86-C91 CovalentContact SG-SG 2.06Å; C86-C91 PolarHBondContact SG-SG 3.33Å; P88-C91 CarbonylContact O-C 3.6Å; C91-E93 PolarHBondContact O-N 2.97Å; C91-A94 HydrophobicContact CB-CB 4.03Å; C91-A94 WeakPolarHBondContact O-CB 3.03Å; C91-A94 PolarHBondContact O-N 3.32Å
92	P	34.7	Very low	34	Very low	90 Å²	90	86 Å²	86	58%	0.584	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.7	-176.6	23.2	-32.2	0	0	0	112.6	A94 M95	P92-A94 PolarHBondContact O-N 2.99Å; P92-M95 WeakPolarHBondContact O-CB 3.24Å; P92-M95 WeakPolarHBondContact O-CG 3.07Å; P92-M95 PolarHBondContact O-N 3.38Å
93	E	34	Very low	33.7	Very low	125 Å²	125	86.2 Å²	86.2	58%	0.584	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.3	175.3	-68.1	176.4	169.9	0	0	113	C91 M95	C91-E93 PolarHBondContact O-N 2.97Å; E93-M95 PolarHBondContact O-N 3.35Å
94	A	35.2	Very low	33.4	Very low	51 Å²	51	84 Å²	84	42%	0.421	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-72.4	-11.9	171.4	0	0	0	0	0	112.8	C91 P92 S96	C91-A94 HydrophobicContact CB-CB 4.03Å; C91-A94 WeakPolarHBondContact O-CB 3.03Å; C91-A94 PolarHBondContact O-N 3.32Å; P92-A94 PolarHBondContact O-N 2.99Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 3.22Å
95	M	25.4	Very low	33.4	Very low	94 Å²	94	84.2 Å²	84.2	46%	0.463	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-70.2	-14.9	177.7	-67	-167	-175	0	0	114.2	P88 P92 E93 S97 N98	P88-M95 HydrophobicContact CB-CE 3.97Å; P88-M95 HydrophobicContact CB-CG 4.07Å; P88-M95 VanDerWaalsContact O-CE 3.25Å; P88-M95 WeakPolarHBondContact O-CE 3.47Å; P92-M95 WeakPolarHBondContact O-CB 3.24Å; P92-M95 WeakPolarHBondContact O-CG 3.07Å; P92-M95 PolarHBondContact O-N 3.38Å; E93-M95 PolarHBondContact O-N 3.35Å; M95-S97 CarbonylContact O-C 3.54Å; M95-S97 PolarHBondContact O-N 2.98Å; M95-N98 PolarHBondContact O-N 2.86Å
96	S	34	Very low	33.2	Very low	121 Å²	121	88 Å²	88	85%	0.846	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-60.1	-21.7	178	66.5	0	0	0	0	112.1	A94	A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 3.22Å
97	S	32.7	Very low	33.2	Very low	62 Å²	62	90 Å²	90	43%	0.434	48%	0.482	S	S	.	.	S	Bend	trans	-100.4	85.9	166.7	158.2	0	0	0	0	109.8	M95 R99	M95-S97 CarbonylContact O-C 3.54Å; M95-S97 PolarHBondContact O-N 2.98Å; S97-R99 PolarHBondContact O-N 2.89Å
98	N	24.6	Very low	33.5	Very low	163 Å²	163	93 Å²	93	87%	0.872	49%	0.491	S	S	*	.			trans	-68	19.6	174.5	-128.6	-20.9	0	0	0	114.1	M95	M95-N98 PolarHBondContact O-N 2.86Å
99	R	26.2	Very low	33.8	Very low	201 Å²	201	93.5 Å²	93.5	76%	0.758	50%	0.497	S	S	*	.	S	Bend	trans	-81.3	123.1	164.8	-80.7	-175.3	177.9	-178.7	0.9	107.4	S97 V101	S97-R99 PolarHBondContact O-N 2.89Å; R99-V101 VanDerWaalsContact C-N 3.32Å; R99-V101 PolarHBondContact O-N 3.23Å
100	R	26.3	Very low	34.3	Very low	240 Å²	240	90.8 Å²	90.8	91%	0.906	48%	0.484	S	S	*	.			trans	-48.5	105.3	155.1	-75.8	-179.2	178	175.4	-1.1	106.6	P102	R100-P102 VanDerWaalsContact O-CD 3.24Å; R100-P102 WeakPolarHBondContact O-CD 3.46Å
101	V	30.7	Very low	34.7	Very low	32 Å²	32	86.4 Å²	86.4	19%	0.194	47%	0.465	C	S	.	.			trans	-69.2	118.7	175.3	-177.6	0	0	0	0	105.2	R99 G103 T104	R99-V101 VanDerWaalsContact C-N 3.32Å; R99-V101 PolarHBondContact O-N 3.23Å; V101-G103 PolarHBondContact O-N 2.97Å; V101-T104 PolarHBondContact O-N 2.87Å
102	P	30.9	Very low	35.2	Very low	98 Å²	98	87.4 Å²	87.4	64%	0.636	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	117.5	169.5	-18.3	31.2	0	0	0	107.5	R100	R100-P102 VanDerWaalsContact O-CD 3.24Å; R100-P102 WeakPolarHBondContact O-CD 3.46Å
103	G	34.3	Very low	35.6	Very low	24 Å²	24	85.1 Å²	85.1	25%	0.247	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	113.1	18.7	-175.2	0	0	0	0	0	116.3	V101 L114	V101-G103 PolarHBondContact O-N 2.97Å; G103-L114 WeakPolarHBondContact O-CD1 3.33Å
104	T	35.7	Very low	36	Very low	56 Å²	56	81.7 Å²	81.7	34%	0.344	45%	0.445	S	S	.	.			trans	-74.2	125	164.3	51.3	0	0	0	0	110.8	V101	V101-T104 PolarHBondContact O-N 2.87Å
105	A	40	Very low	36.6	Very low	4 Å²	4	81.2 Å²	81.2	3%	0.033	44%	0.435	C	S	.	.			trans	-86	139.2	173.9	0	0	0	0	0	112.2	A84 S107 E110 A111 L114	A84-A105 PolarHBondContact O-N 3.14Å; A84-A105 VanDerWaalsContact O-N 3.08Å; A105-S107 WeakPolarHBondContact CB-O 3.43Å; A105-E110 HydrophobicContact CB-CB 4.05Å; A105-E110 HydrophobicContact CB-CG 4.12Å; A105-A111 VanDerWaalsContact CB-CA 3.45Å; A105-A111 HydrophobicContact CB-CB 3.53Å; A105-A111 VanDerWaalsContact CB-N 3.27Å; A105-L114 HydrophobicContact CB-CD1 4.04Å
106	N	38.9	Very low	37.2	Very low	107 Å²	107	77.4 Å²	77.4	57%	0.572	42%	0.42	S	S	*	.	S	Bend	trans	-88.4	-18.3	171.7	-64.3	-69.4	0	0	0	113.2	K87 E110	K87-N106 WeakPolarHBondContact CE-OD1 3.44Å; N106-E110 WeakPolarHBondContact CA-OE2 3.25Å; N106-E110 VanDerWaalsContact CB-OE2 3.27Å; N106-E110 WeakPolarHBondContact CB-OE2 3.31Å; N106-E110 PolarHBondContact N-OE2 3.2Å; N106-E110 PolarHBondContact ND2-OE2 3.04Å
107	S	37.5	Very low	37.2	Very low	52 Å²	52	79.3 Å²	79.3	36%	0.364	42%	0.415	S	S	.	.	S	Bend	trans	-138.7	161.8	177.5	69	0	0	0	0	111.7	A105 S109 E110 A111	A105-S107 WeakPolarHBondContact CB-O 3.43Å; S107-S109 VanDerWaalsContact C-N 3.3Å; S107-S109 PolarHBondContact O-N 3.45Å; S107-S109 PolarHBondContact OG-OG 2.93Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 WeakPolarHBondContact OG-CB 3.12Å; S107-E110 PolarHBondContact OG-N 3.42Å; S107-E110 VanDerWaalsContact OG-N 3.09Å; S107-A111 PolarHBondContact O-N 2.81Å
108	W	41.8	Very low	37.4	Very low	120 Å²	120	77.5 Å²	77.5	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-57.6	-42.6	172.3	176.9	-99.9	0	0	0	112.2	F31 I85 E110 A111 V112	F31-W108 HydrophobicContact CE2-CZ3 4.21Å; F31-W108 HydrophobicContact CZ-CZ3 4.08Å; I85-W108 HydrophobicContact CD1-CE3 4.24Å; I85-W108 HydrophobicContact CD1-CZ3 3.79Å; W108-E110 VanDerWaalsContact C-N 3.3Å; W108-E110 PolarHBondContact O-N 2.96Å; W108-A111 WeakPolarHBondContact O-CB 3.34Å; W108-A111 PolarHBondContact O-N 2.82Å; W108-V112 HydrophobicContact CD2-CG2 4.19Å; W108-V112 HydrophobicContact CG-CG2 4.42Å; W108-V112 HydrophobicContact CZ2-CG2 4Å; W108-V112 WeakPolarHBondContact O-CG2 3.35Å; W108-V112 PolarHBondContact O-N 2.81Å
109	S	42.8	Very low	37.8	Very low	83 Å²	83	72.4 Å²	72.4	58%	0.58	38%	0.375	S	S	*	.	H	α-helix	trans	-61.6	-37.5	176.4	51.8	0	0	0	0	112.6	S107 A113	S107-S109 VanDerWaalsContact C-N 3.3Å; S107-S109 PolarHBondContact O-N 3.45Å; S107-S109 PolarHBondContact OG-OG 2.93Å; S109-A113 WeakPolarHBondContact O-CB 3.48Å; S109-A113 PolarHBondContact O-N 2.09Å
110	E	42	Very low	38	Very low	72 Å²	72	69.2 Å²	69.2	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-70.5	-37.3	175.1	-172.6	178.3	-173	0	0	111.2	A105 N106 S107 W108 A113 L114	A105-E110 HydrophobicContact CB-CB 4.05Å; A105-E110 HydrophobicContact CB-CG 4.12Å; N106-E110 WeakPolarHBondContact CA-OE2 3.25Å; N106-E110 VanDerWaalsContact CB-OE2 3.27Å; N106-E110 WeakPolarHBondContact CB-OE2 3.31Å; N106-E110 PolarHBondContact N-OE2 3.2Å; N106-E110 PolarHBondContact ND2-OE2 3.04Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 WeakPolarHBondContact OG-CB 3.12Å; S107-E110 PolarHBondContact OG-N 3.42Å; S107-E110 VanDerWaalsContact OG-N 3.09Å; W108-E110 VanDerWaalsContact C-N 3.3Å; W108-E110 PolarHBondContact O-N 2.96Å; E110-A113 PolarHBondContact O-N 2.83Å; E110-L114 HydrophobicContact CG-CD1 4.34Å; E110-L114 WeakPolarHBondContact O-CB 3.36Å; E110-L114 WeakPolarHBondContact O-CG 3.24Å; E110-L114 PolarHBondContact O-N 2.96Å
111	A	46.4	Very low	38	Very low	1 Å²	1	69.3 Å²	69.3	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-65.1	-46	175.3	0	0	0	0	0	111.7	I85 A105 S107 W108 A113 L114 L115	I85-A111 HydrophobicContact CD1-CB 4.34Å; I85-A111 HydrophobicContact CG1-CB 3.71Å; A105-A111 VanDerWaalsContact CB-CA 3.45Å; A105-A111 HydrophobicContact CB-CB 3.53Å; A105-A111 VanDerWaalsContact CB-N 3.27Å; S107-A111 PolarHBondContact O-N 2.81Å; W108-A111 WeakPolarHBondContact O-CB 3.34Å; W108-A111 PolarHBondContact O-N 2.82Å; A111-A113 VanDerWaalsContact C-N 3.34Å; A111-L114 PolarHBondContact O-N 2.94Å; A111-L115 WeakPolarHBondContact O-CD1 3Å; A111-L115 WeakPolarHBondContact O-CG 3.22Å; A111-L115 PolarHBondContact O-N 2.74Å
112	V	44.5	Very low	37.8	Very low	40 Å²	40	69.3 Å²	69.3	24%	0.242	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-39.5	175.2	174.6	0	0	0	0	110.5	L65 W108 L114 L115 G116	L65-V112 HydrophobicContact CD2-CG1 4.07Å; W108-V112 HydrophobicContact CD2-CG2 4.19Å; W108-V112 HydrophobicContact CG-CG2 4.42Å; W108-V112 HydrophobicContact CZ2-CG2 4Å; W108-V112 WeakPolarHBondContact O-CG2 3.35Å; W108-V112 PolarHBondContact O-N 2.81Å; V112-L114 PolarHBondContact O-N 2.95Å; V112-L115 CarbonylContact O-C 3.53Å; V112-L115 PolarHBondContact O-N 2.77Å; V112-G116 WeakPolarHBondContact O-CA 3.16Å; V112-G116 PolarHBondContact O-N 2.73Å
113	A	44.6	Very low	37.7	Very low	42 Å²	42	69.1 Å²	69.1	35%	0.347	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-41.1	173.6	0	0	0	0	0	111.7	S109 E110 A111 L115 G116 H117	S109-A113 WeakPolarHBondContact O-CB 3.48Å; S109-A113 PolarHBondContact O-N 2.09Å; E110-A113 PolarHBondContact O-N 2.83Å; A111-A113 VanDerWaalsContact C-N 3.34Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 PolarHBondContact O-N 2.81Å; A113-G116 PolarHBondContact O-N 3.48Å; A113-H117 VanDerWaalsContact O-CB 3.31Å; A113-H117 WeakPolarHBondContact O-CB 3.46Å; A113-H117 PolarHBondContact O-CD2 2.65Å; A113-H117 PolarHBondContact O-N 2.98Å
114	L	42.6	Very low	37.3	Very low	53 Å²	53	73.3 Å²	73.3	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-63.5	-37.1	174.3	-73.7	166.9	0	0	0	112	G103 A105 E110 A111 V112 Y119	G103-L114 WeakPolarHBondContact O-CD1 3.33Å; A105-L114 HydrophobicContact CB-CD1 4.04Å; E110-L114 HydrophobicContact CG-CD1 4.34Å; E110-L114 WeakPolarHBondContact O-CB 3.36Å; E110-L114 WeakPolarHBondContact O-CG 3.24Å; E110-L114 PolarHBondContact O-N 2.96Å; A111-L114 PolarHBondContact O-N 2.94Å; V112-L114 PolarHBondContact O-N 2.95Å; L114-Y119 WeakPolarHBondContact O-CD2 3.28Å; L114-Y119 WeakPolarHBondContact O-CE2 3.3Å
115	L	46.1	Very low	36.7	Very low	41 Å²	41	74 Å²	74	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-71.2	-39.4	173.3	-64.7	162.3	0	0	0	112.7	L76 A111 V112 A113 Y119	L76-L115 HydrophobicContact CD1-CD1 4.17Å; L76-L115 HydrophobicContact CD1-CD2 3.65Å; L76-L115 HydrophobicContact CD1-CG 4.4Å; L76-L115 HydrophobicContact CD2-CD2 3.97Å; L76-L115 HydrophobicContact CG-CD2 4.45Å; A111-L115 WeakPolarHBondContact O-CD1 3Å; A111-L115 WeakPolarHBondContact O-CG 3.22Å; A111-L115 PolarHBondContact O-N 2.74Å; V112-L115 CarbonylContact O-C 3.53Å; V112-L115 PolarHBondContact O-N 2.77Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 PolarHBondContact O-N 2.81Å; L115-Y119 VanDerWaalsContact CA-CE2 3.45Å; L115-Y119 HydrophobicContact CB-CE2 4.17Å; L115-Y119 HydrophobicContact CD2-CD2 4.02Å; L115-Y119 HydrophobicContact CD2-CE2 3.3Å; L115-Y119 HydrophobicContact CG-CE2 3.84Å
116	G	39	Very low	35.9	Very low	14 Å²	14	80 Å²	80	14%	0.144	43%	0.434	C	S	.	.	H	α-helix	trans	-73.3	-34.6	-178.1	0	0	0	0	0	113.8	V112 A113 G118	V112-G116 WeakPolarHBondContact O-CA 3.16Å; V112-G116 PolarHBondContact O-N 2.73Å; A113-G116 PolarHBondContact O-N 3.48Å; G116-G118 PolarHBondContact O-N 2.56Å
117	H	33.9	Very low	35.3	Very low	160 Å²	160	85.7 Å²	85.7	74%	0.741	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	7.5	175.8	-81	-52	0	0	0	114.4	A113	A113-H117 VanDerWaalsContact O-CB 3.31Å; A113-H117 WeakPolarHBondContact O-CB 3.46Å; A113-H117 PolarHBondContact O-CD2 2.65Å; A113-H117 PolarHBondContact O-N 2.98Å
118	G	36.7	Very low	35.2	Very low	25 Å²	25	87.4 Å²	87.4	26%	0.258	47%	0.469	S	S	.	.			trans	64.9	98.8	178.5	0	0	0	0	0	109.5	G116 T120	G116-G118 PolarHBondContact O-N 2.56Å; G118-T120 PolarHBondContact O-N 3.15Å; G118-T120 PolarHBondContact O-OG1 3.09Å
119	Y	32.8	Very low	34.8	Very low	55 Å²	55	85.6 Å²	85.6	22%	0.216	47%	0.47	C	S	.	.			trans	-56.8	75.5	164.2	-78.1	-90.7	0	0	0	110.5	L114 L115 W122	L114-Y119 WeakPolarHBondContact O-CD2 3.28Å; L114-Y119 WeakPolarHBondContact O-CE2 3.3Å; L115-Y119 VanDerWaalsContact CA-CE2 3.45Å; L115-Y119 HydrophobicContact CB-CE2 4.17Å; L115-Y119 HydrophobicContact CD2-CD2 4.02Å; L115-Y119 HydrophobicContact CD2-CE2 3.3Å; L115-Y119 HydrophobicContact CG-CE2 3.84Å; Y119-W122 HydrophobicContact CD1-CB 4.23Å; Y119-W122 AromaticContact CD1-CD1 3.73Å; Y119-W122 HydrophobicContact CD1-CD2 4.16Å; Y119-W122 AromaticContact CD1-CG 3.81Å; Y119-W122 HydrophobicContact CD1-CG 3.81Å; Y119-W122 AromaticContact CE1-CD1 3.62Å; Y119-W122 HydrophobicContact CE1-CD2 4.14Å; Y119-W122 AromaticContact CE1-CE2 3.81Å; Y119-W122 HydrophobicContact CE1-CG 4.04Å; Y119-W122 HydrophobicContact CE1-CZ2 4.46Å; Y119-W122 AromaticContact CE1-NE1 3.5Å
120	T	29.9	Very low	34.4	Very low	135 Å²	135	85.8 Å²	85.8	83%	0.828	46%	0.464	S	S	*	.	S	Bend	trans	-90.1	-13.5	171.2	28.2	0	0	0	0	111.4	G118	G118-T120 PolarHBondContact O-N 3.15Å; G118-T120 PolarHBondContact O-OG1 3.09Å
121	R	27.1	Very low	33.9	Very low	241 Å²	241	86.6 Å²	86.6	91%	0.909	47%	0.471	S	S	*	.			trans	-146.6	73.6	171.8	-77	-169.6	-179.7	170.4	0.1	112.3
122	W	26.3	Very low	33.2	Very low	33 Å²	33	91.9 Å²	91.9	13%	0.125	50%	0.5	C	S	.	.			trans	-74.3	137.7	150.8	-127.3	20.3	0	0	0	108.3	N80 R83 Y119 F124	N80-W122 HydrophobicContact CB-CH2 3.74Å; N80-W122 HydrophobicContact CB-CZ3 3.75Å; N80-W122 VanDerWaalsContact OD1-CZ3 3.3Å; N80-W122 WeakPolarHBondContact OD1-CZ3 3.34Å; R83-W122 HydrophobicContact CB-CH2 4.17Å; R83-W122 HydrophobicContact CB-CZ2 4.32Å; Y119-W122 HydrophobicContact CD1-CB 4.23Å; Y119-W122 AromaticContact CD1-CD1 3.73Å; Y119-W122 HydrophobicContact CD1-CD2 4.16Å; Y119-W122 AromaticContact CD1-CG 3.81Å; Y119-W122 HydrophobicContact CD1-CG 3.81Å; Y119-W122 AromaticContact CE1-CD1 3.62Å; Y119-W122 HydrophobicContact CE1-CD2 4.14Å; Y119-W122 AromaticContact CE1-CE2 3.81Å; Y119-W122 HydrophobicContact CE1-CG 4.04Å; Y119-W122 HydrophobicContact CE1-CZ2 4.46Å; Y119-W122 AromaticContact CE1-NE1 3.5Å; W122-F124 PolarHBondContact O-N 2.96Å
123	P	28.1	Very low	32.4	Very low	94 Å²	94	95.4 Å²	95.4	61%	0.61	52%	0.517	S	S	*	.	S	Bend	trans	-72.6	-5.4	-179	28.7	-33.9	0	0	0	113.3
124	F	27	Very low	31.5	Very low	111 Å²	111	99.2 Å²	99.2	49%	0.487	53%	0.529	S	S	.	.	S	Bend	trans	-101.1	106.6	162.6	-55.7	-75.1	0	0	0	105.2	W122 I126	W122-F124 PolarHBondContact O-N 2.96Å; F124-I126 PolarHBondContact O-N 3.22Å
125	G	22.7	Very low	30.7	Very low	70 Å²	70	102.8 Å²	102.8	72%	0.722	55%	0.549	S	S	*	.			trans	-46	137.6	-177.6	0	0	0	0	0	111	D127	G125-D127 PolarHBondContact O-N 3.48Å
126	I	23.6	Very low	29.4	Very low	132 Å²	132	107.9 Å²	107.9	68%	0.677	58%	0.577	S	S	*	*			trans	-71.3	104.7	158.9	-55	171.6	0	0	0	103.8	F124	F124-I126 PolarHBondContact O-N 3.22Å
127	D	25.8	Very low	28.5	Very low	225 Å²	225	116.5 Å²	116.5	100%	1.203	62%	0.616	S	S	*	*			trans	-92	0	157.2	-145.6	-52.1	0	0	0	106.8	G125	G125-D127 PolarHBondContact O-N 3.48Å

Retrieved 127 of 127 residues in 72.6 ms (Link to these results)

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