A0A077ZFP7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 aa.

						>A0A077ZFP7_TRITR|A0A077ZFP7
MPEAQMDCKRAGFLRDQEDNAELRPDSATREGEVEAVDFEDLIAIDDPRAIFCSALAEGGMSVEASSTGDDAEEESDNEMEMYRWLAAYEEAVEAPGLDQWLKDVKRLSECRADCMDIAFMRTYDMHGKRKPCIMGVRSC
					

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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	31.7	Very low	34.6	Very low	230 Å²	230	159.5 Å²	159.5	100%	1.133	84%	0.839	S	S	*	*				0	111.4	0	-55.5	-169.6	88.2	0	0	105.5	E3	M1-E3 PolarHBondContact O-N 3.42Å
2	P	38.1	Very low	34.3	Very low	130 Å²	130	152.3 Å²	152.3	84%	0.844	83%	0.832	S	S	*	*			trans	-79.8	118.9	-174.1	29.4	-27.3	0	0	0	109.3	A4	P2-A4 PolarHBondContact O-N 3.48Å; P2-A4 VanDerWaalsContact O-N 3.14Å
3	E	37.9	Very low	34.1	Very low	177 Å²	177	152.5 Å²	152.5	83%	0.827	82%	0.821	S	S	*	*			trans	-53.8	110.9	171	-67.6	159.3	100.2	0	0	108.6	M1 Q5	M1-E3 PolarHBondContact O-N 3.42Å; E3-Q5 PolarHBondContact O-N 3.41Å
4	A	37.5	Very low	33.7	Very low	97 Å²	97	153.4 Å²	153.4	80%	0.802	82%	0.823	S	S	*	*			trans	-69.2	87.8	175.2	0	0	0	0	0	108.3	P2 M6	P2-A4 PolarHBondContact O-N 3.48Å; P2-A4 VanDerWaalsContact O-N 3.14Å; A4-M6 PolarHBondContact O-N 2.88Å
5	Q	32.7	Very low	33.8	Very low	169 Å²	169	158.7 Å²	158.7	79%	0.79	83%	0.827	S	S	*	*			trans	-61.9	92.9	162.1	-73.3	178.7	27.8	0	0	106.8	E3 D7	E3-Q5 PolarHBondContact O-N 3.41Å; Q5-D7 PolarHBondContact O-N 3.14Å; Q5-D7 VanDerWaalsContact O-N 3.11Å
6	M	32.3	Very low	33.8	Very low	166 Å²	166	158.3 Å²	158.3	82%	0.818	83%	0.826	S	S	*	*			trans	-78.6	94.9	176.2	-169	163.8	159.6	0	0	106.7	A4 C8	A4-M6 PolarHBondContact O-N 2.88Å; M6-C8 VanDerWaalsContact C-N 3.33Å; M6-C8 PolarHBondContact O-N 2.84Å
7	D	32.1	Very low	33.6	Very low	144 Å²	144	159.9 Å²	159.9	77%	0.77	83%	0.829	S	S	*	*			trans	-56.5	92.1	173.6	-75.4	-73.5	0	0	0	110.3	Q5 K9	Q5-D7 PolarHBondContact O-N 3.14Å; Q5-D7 VanDerWaalsContact O-N 3.11Å; D7-K9 VanDerWaalsContact C-N 3.34Å; D7-K9 PolarHBondContact O-N 3.11Å
8	C	33	Very low	33.7	Very low	116 Å²	116	161.5 Å²	161.5	78%	0.784	83%	0.832	S	S	*	*			trans	-67.7	91.8	173.3	-76.6	0	0	0	0	109.4	M6 R10	M6-C8 VanDerWaalsContact C-N 3.33Å; M6-C8 PolarHBondContact O-N 2.84Å; C8-R10 PolarHBondContact O-N 2.83Å
9	K	32.4	Very low	33.9	Very low	199 Å²	199	160.9 Å²	160.9	87%	0.865	83%	0.83	S	S	*	*			trans	-57.5	111.4	170.3	-76.9	179.3	177.2	175.6	0	109.5	D7 A11	D7-K9 VanDerWaalsContact C-N 3.34Å; D7-K9 PolarHBondContact O-N 3.11Å; K9-A11 PolarHBondContact O-N 3.04Å
10	R	38.2	Very low	34	Very low	244 Å²	244	159.2 Å²	159.2	92%	0.921	82%	0.822	S	S	*	*			trans	-46.6	101.6	171.1	-176.2	176.8	-173.2	176	2.2	110.6	C8 G12	C8-R10 PolarHBondContact O-N 2.83Å; R10-G12 PolarHBondContact O-N 2.89Å
11	A	34.6	Very low	34.3	Very low	82 Å²	82	155 Å²	155	68%	0.678	81%	0.811	S	S	*	*			trans	-68.3	114.7	169.4	0	0	0	0	0	108.2	K9 F13	K9-A11 PolarHBondContact O-N 3.04Å; A11-F13 PolarHBondContact O-N 3.23Å
12	G	30.8	Very low	34.6	Very low	73 Å²	73	151.7 Å²	151.7	75%	0.753	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.3	120.2	177.3	0	0	0	0	0	110.5	R10 L14	R10-G12 PolarHBondContact O-N 2.89Å; G12-L14 PolarHBondContact O-N 2.99Å
13	F	32.1	Very low	34.7	Very low	156 Å²	156	152.8 Å²	152.8	68%	0.684	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-67	119.5	173	-85.3	-102.1	0	0	0	110.4	A11 R15 I134	A11-F13 PolarHBondContact O-N 3.23Å; F13-R15 PolarHBondContact O-N 3.47Å; F13-I134 HydrophobicContact CD1-CD1 4.27Å; F13-I134 HydrophobicContact CE1-CD1 3.57Å; F13-I134 HydrophobicContact CE1-CG1 4.19Å; F13-I134 HydrophobicContact CE1-CG2 4.11Å; F13-I134 HydrophobicContact CZ-CD1 4.34Å; F13-I134 HydrophobicContact CZ-CG2 3.79Å
14	L	28.3	Very low	34.6	Very low	164 Å²	164	155.1 Å²	155.1	86%	0.859	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70.8	118.9	157.9	-81.5	163.2	0	0	0	107.5	G12 D16	G12-L14 PolarHBondContact O-N 2.99Å; L14-D16 PolarHBondContact O-N 3.3Å
15	R	34.8	Very low	34.7	Very low	234 Å²	234	156.9 Å²	156.9	88%	0.883	80%	0.796	S	S	*	*			trans	-85.5	96.6	175	-66.6	-174.6	172	-159.9	-3.8	108	F13	F13-R15 PolarHBondContact O-N 3.47Å
16	D	34.6	Very low	34.9	Very low	151 Å²	151	155.7 Å²	155.7	81%	0.807	80%	0.795	S	S	*	*			trans	-80.5	122.3	161.1	-97.4	-76.3	0	0	0	108.6	L14 E18	L14-D16 PolarHBondContact O-N 3.3Å; D16-E18 PolarHBondContact O-N 3.35Å
17	Q	30.1	Very low	34.9	Very low	186 Å²	186	152.4 Å²	152.4	87%	0.869	79%	0.788	S	S	*	*			trans	-74.7	112.4	177.1	-76.3	171.4	80.5	0	0	108.5
18	E	36.1	Very low	35.1	Very low	189 Å²	189	150.7 Å²	150.7	88%	0.883	79%	0.794	S	S	*	*			trans	-123.8	98.1	160.4	-95.7	178.9	77.1	0	0	110.2	D16	D16-E18 PolarHBondContact O-N 3.35Å
19	D	36.4	Very low	35.4	Very low	151 Å²	151	151.3 Å²	151.3	81%	0.807	79%	0.794	S	S	*	*			trans	43.5	106.2	143.8	-136.6	62.9	0	0	0	119.9	A21	D19-A21 VanDerWaalsContact C-N 3.34Å; D19-A21 PolarHBondContact O-N 3.03Å
20	N	35.8	Very low	35.5	Very low	125 Å²	125	152.9 Å²	152.9	67%	0.668	80%	0.795	S	S	*	*			trans	-65.3	83.8	165.3	175.9	82.9	0	0	0	110.4	E22	N20-E22 PolarHBondContact ND2-OE2 2.64Å
21	A	41.4	Very low	35.5	Very low	72 Å²	72	150.1 Å²	150.1	60%	0.595	79%	0.792	S	S	*	*			trans	-87.7	97.5	157.5	0	0	0	0	0	108.3	D19 L23	D19-A21 VanDerWaalsContact C-N 3.34Å; D19-A21 PolarHBondContact O-N 3.03Å; A21-L23 PolarHBondContact O-N 3.49Å
22	E	38.3	Very low	35.7	Very low	160 Å²	160	148.7 Å²	148.7	75%	0.748	79%	0.786	S	S	*	*			trans	-60.5	80.9	169.6	-78.2	163.1	86.1	0	0	110.5	N20 R24	N20-E22 PolarHBondContact ND2-OE2 2.64Å; E22-R24 PolarHBondContact O-N 3.07Å
23	L	40.6	Very low	35.7	Very low	153 Å²	153	154.8 Å²	154.8	80%	0.801	80%	0.795	S	S	*	*			trans	-73.4	95	167.9	-67.1	175	0	0	0	107.7	A21 P25	A21-L23 PolarHBondContact O-N 3.49Å; L23-P25 WeakPolarHBondContact O-CD 3.22Å
24	R	34.4	Very low	36.1	Very low	227 Å²	227	153.6 Å²	153.6	86%	0.857	80%	0.8	S	S	*	*			trans	-56.4	122.2	165.9	-71.1	-180	80.6	-179.9	3.9	107.7	E22 D26	E22-R24 PolarHBondContact O-N 3.07Å; R24-D26 PolarHBondContact O-N 2.94Å
25	P	40.9	Very low	36.5	Very low	134 Å²	134	154.2 Å²	154.2	87%	0.87	80%	0.798	S	S	*	*			trans	-74.1	96.2	176.1	28.8	-30.9	0	0	0	107.9	L23	L23-P25 WeakPolarHBondContact O-CD 3.22Å
26	D	35.4	Very low	36.8	Very low	144 Å²	144	147.3 Å²	147.3	77%	0.77	79%	0.792	S	S	*	*			trans	-90.2	137.1	166.7	-156.3	-95.6	0	0	0	108.3	R24	R24-D26 PolarHBondContact O-N 2.94Å
27	S	33.4	Very low	37.1	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	77%	0.766	S	S	*	*	S	Bend	trans	76.1	94.7	174.8	63.4	0	0	0	0	118.7	T29	S27-T29 PolarHBondContact O-N 2.88Å
28	A	35.7	Very low	37.7	Very low	108 Å²	108	138.3 Å²	138.3	89%	0.893	75%	0.751	S	S	*	*			trans	11.3	78.7	144.8	0	0	0	0	0	117	R30	A28-R30 PolarHBondContact O-N 3.21Å; A28-R30 VanDerWaalsContact O-N 3.08Å
29	T	38.7	Very low	38	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	74%	0.736	S	S	*	*			trans	-66.8	104.6	164.8	-45.6	0	0	0	0	107.9	S27 E31	S27-T29 PolarHBondContact O-N 2.88Å; T29-E31 PolarHBondContact O-N 3.32Å
30	R	35.3	Very low	38.6	Very low	232 Å²	232	136 Å²	136	88%	0.875	73%	0.733	S	S	*	*			trans	-57.6	105.4	168.2	179.2	176.8	172	173.6	-4.8	106.8	A28 G32	A28-R30 PolarHBondContact O-N 3.21Å; A28-R30 VanDerWaalsContact O-N 3.08Å; R30-G32 PolarHBondContact O-N 3.16Å
31	E	38.6	Very low	39.2	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.864	73%	0.729	S	S	*	*			trans	-59.8	93.6	166.3	-61.6	-176.2	112.7	0	0	105.9	T29 E33	T29-E31 PolarHBondContact O-N 3.32Å; E31-E33 PolarHBondContact O-N 2.97Å
32	G	38.2	Very low	39.4	Very low	53 Å²	53	133.1 Å²	133.1	55%	0.546	71%	0.708	S	S	.	*			trans	-64.8	114.3	169.9	0	0	0	0	0	106.6	R30 V34	R30-G32 PolarHBondContact O-N 3.16Å; G32-V34 VanDerWaalsContact C-N 3.26Å; G32-V34 PolarHBondContact O-N 2.99Å
33	E	30.5	Very low	39.7	Very low	200 Å²	200	131 Å²	131	94%	0.935	70%	0.701	S	S	*	*			trans	-58.6	94.8	167.5	-68.4	169.1	99.8	0	0	107.1	E31 E35	E31-E33 PolarHBondContact O-N 2.97Å; E33-E35 PolarHBondContact O-N 3.32Å
34	V	40.5	Very low	40.1	Very low	131 Å²	131	127.4 Å²	127.4	79%	0.794	69%	0.693	S	S	*	*			trans	-70.5	111	169.6	178.9	0	0	0	0	105.3	G32 A36	G32-V34 VanDerWaalsContact C-N 3.26Å; G32-V34 PolarHBondContact O-N 2.99Å; V34-A36 PolarHBondContact O-N 2.89Å
35	E	37.5	Very low	40.8	Very low	177 Å²	177	118.7 Å²	118.7	83%	0.827	66%	0.663	S	S	*	*			trans	-55.9	124.2	172.1	-167.1	167.6	120.1	0	0	107.4	E33 V37	E33-E35 PolarHBondContact O-N 3.32Å; E35-V37 PolarHBondContact O-N 3.01Å
36	A	40.5	Very low	41.2	Very low	90 Å²	90	120.1 Å²	120.1	74%	0.744	66%	0.663	S	S	*	*			trans	-65.4	107	-174.7	0	0	0	0	0	109	V34 D38	V34-A36 PolarHBondContact O-N 2.89Å; A36-D38 PolarHBondContact O-N 3.32Å
37	V	40.9	Very low	41.9	Very low	44 Å²	44	117.4 Å²	117.4	27%	0.267	65%	0.649	S	S	.	*			trans	-59.8	126.1	172.3	-173.9	0	0	0	0	108.3	E35 F39 L42 E58	E35-V37 PolarHBondContact O-N 3.01Å; V37-F39 PolarHBondContact O-N 3.11Å; V37-F39 VanDerWaalsContact O-N 3.16Å; V37-L42 HydrophobicContact CG1-CD1 4.21Å; V37-L42 HydrophobicContact CG1-CD2 4.28Å; V37-L42 HydrophobicContact CG1-CG 4.1Å; V37-E58 VanDerWaalsContact CG2-OE1 3.29Å; V37-E58 WeakPolarHBondContact CG2-OE1 3.34Å; V37-E58 VanDerWaalsContact CG2-OE2 3.26Å; V37-E58 WeakPolarHBondContact CG2-OE2 3.38Å
38	D	43.9	Very low	42.8	Very low	104 Å²	104	114.9 Å²	114.9	56%	0.556	63%	0.63	S	S	*	*			trans	-67.9	114.6	-179.2	-158.5	-65.9	0	0	0	109.6	A36 E40 D41	A36-D38 PolarHBondContact O-N 3.32Å; D38-E40 PolarHBondContact O-N 2.78Å; D38-E40 VanDerWaalsContact O-N 3.16Å; D38-E40 PolarHBondContact OD1-N 3.13Å; D38-D41 WeakPolarHBondContact O-CB 3.44Å; D38-D41 PolarHBondContact O-N 2.8Å
39	F	42.4	Very low	43.5	Very low	129 Å²	129	114.5 Å²	114.5	57%	0.566	61%	0.606	S	S	*	*	H	α-helix	trans	-61.6	-23.6	-173.4	-71	-86	0	0	0	113.4	V37 D41 L42 I43	V37-F39 PolarHBondContact O-N 3.11Å; V37-F39 VanDerWaalsContact O-N 3.16Å; F39-D41 PolarHBondContact O-N 3.41Å; F39-L42 HydrophobicContact CD1-CD1 4.09Å; F39-L42 PolarHBondContact O-N 2.91Å; F39-I43 WeakPolarHBondContact O-CG1 3.44Å; F39-I43 PolarHBondContact O-N 3.44Å; F39-I43 VanDerWaalsContact O-N 3.13Å
40	E	47.3	Very low	44.3	Very low	161 Å²	161	109.9 Å²	109.9	75%	0.752	58%	0.58	S	S	*	*	H	α-helix	trans	-63.9	-32.3	176	-67.8	-168.4	82.4	0	0	111.2	D38 A44	D38-E40 PolarHBondContact O-N 2.78Å; D38-E40 VanDerWaalsContact O-N 3.16Å; D38-E40 PolarHBondContact OD1-N 3.13Å; E40-A44 WeakPolarHBondContact O-CB 3.5Å; E40-A44 PolarHBondContact O-N 2.79Å; E40-A44 VanDerWaalsContact O-N 3.13Å
41	D	49.7	Very low	45.1	Very low	110 Å²	110	100.3 Å²	100.3	59%	0.588	55%	0.546	S	S	*	.	H	α-helix	trans	-70.8	-38.5	176.2	-153	72.4	0	0	0	111	D38 F39 I43 A44 I45	D38-D41 WeakPolarHBondContact O-CB 3.44Å; D38-D41 PolarHBondContact O-N 2.8Å; F39-D41 PolarHBondContact O-N 3.41Å; D41-I43 PolarHBondContact O-N 3Å; D41-A44 PolarHBondContact O-N 3.06Å; D41-I45 WeakPolarHBondContact O-CG1 3.3Å; D41-I45 PolarHBondContact O-N 2.89Å
42	L	44.3	Very low	45.6	Very low	28 Å²	28	93 Å²	93	15%	0.147	51%	0.512	C	S	.	.	H	α-helix	trans	-65.5	-38	177.9	-67.5	173.9	0	0	0	113.2	V37 F39 I51	V37-L42 HydrophobicContact CG1-CD1 4.21Å; V37-L42 HydrophobicContact CG1-CD2 4.28Å; V37-L42 HydrophobicContact CG1-CG 4.1Å; F39-L42 HydrophobicContact CD1-CD1 4.09Å; F39-L42 PolarHBondContact O-N 2.91Å; L42-I51 HydrophobicContact CD2-CG2 4.26Å; L42-I51 WeakPolarHBondContact O-CD1 3.25Å
43	I	45.4	Very low	46.3	Very low	115 Å²	115	91.8 Å²	91.8	59%	0.59	49%	0.494	S	S	*	.	H	α-helix	trans	-77.2	-29.6	178.1	-61.2	178.3	0	0	0	111.2	F39 D41 I45	F39-I43 WeakPolarHBondContact O-CG1 3.44Å; F39-I43 PolarHBondContact O-N 3.44Å; F39-I43 VanDerWaalsContact O-N 3.13Å; D41-I43 PolarHBondContact O-N 3Å; I43-I45 PolarHBondContact O-N 2.88Å
44	A	49	Very low	47.5	Very low	78 Å²	78	84.1 Å²	84.1	65%	0.645	46%	0.463	S	S	*	.	H	α-helix	trans	-67.1	-21.2	177	0	0	0	0	0	112.9	E40 D41 D46	E40-A44 WeakPolarHBondContact O-CB 3.5Å; E40-A44 PolarHBondContact O-N 2.79Å; E40-A44 VanDerWaalsContact O-N 3.13Å; D41-A44 PolarHBondContact O-N 3.06Å; A44-D46 PolarHBondContact O-N 3.41Å; A44-D46 VanDerWaalsContact O-N 3.11Å
45	I	48	Very low	48	Very low	43 Å²	43	80.4 Å²	80.4	22%	0.221	45%	0.446	C	S	.	.			trans	-76.8	99.3	174.6	-61	166.3	0	0	0	108.7	D41 I43 D47 A50 I51	D41-I45 WeakPolarHBondContact O-CG1 3.3Å; D41-I45 PolarHBondContact O-N 2.89Å; I43-I45 PolarHBondContact O-N 2.88Å; I45-D47 VanDerWaalsContact CG2-O 3.28Å; I45-D47 WeakPolarHBondContact CG2-O 3.49Å; I45-D47 PolarHBondContact O-N 3.33Å; I45-A50 HydrophobicContact CG2-CB 3.38Å; I45-I51 HydrophobicContact CB-CG1 4.35Å; I45-I51 HydrophobicContact CG2-CG1 4.39Å
46	D	50.4	Low	48.6	Very low	165 Å²	165	74.6 Å²	74.6	88%	0.882	42%	0.42	S	S	*	.	S	Bend	trans	-58.2	-12.6	177.6	-159.2	-107.3	0	0	0	113.2	A44	A44-D46 PolarHBondContact O-N 3.41Å; A44-D46 VanDerWaalsContact O-N 3.11Å
47	D	51.1	Low	49	Very low	86 Å²	86	73.5 Å²	73.5	46%	0.46	41%	0.412	S	S	.	.			trans	-113.9	104.4	-177.6	-168	-80.7	0	0	0	111.9	I45 R49 A50 I51	I45-D47 VanDerWaalsContact CG2-O 3.28Å; I45-D47 WeakPolarHBondContact CG2-O 3.49Å; I45-D47 PolarHBondContact O-N 3.33Å; D47-R49 PolarHBondContact O-N 3.03Å; D47-R49 VanDerWaalsContact O-N 3.07Å; D47-R49 VanDerWaalsContact OD1-CA 3.3Å; D47-R49 WeakPolarHBondContact OD1-CA 3.48Å; D47-R49 WeakPolarHBondContact OD1-CB 3.45Å; D47-R49 PolarHBondContact OD1-N 3.44Å; D47-A50 HydrophobicContact CB-CB 4.23Å; D47-A50 WeakPolarHBondContact O-CA 3.47Å; D47-A50 WeakPolarHBondContact O-CB 3.32Å; D47-A50 PolarHBondContact O-N 2.8Å; D47-A50 PolarHBondContact OD1-N 3.12Å; D47-I51 PolarHBondContact O-N 3.42Å
48	P	51.7	Low	49.5	Very low	43 Å²	43	77.1 Å²	77.1	28%	0.279	43%	0.426	S	S	.	.	H	α-helix	trans	-67.7	-9.9	-178.8	26	-33.2	0	0	0	113.7	I51 F52 L102	P48-I51 HydrophobicContact CB-CD1 4.34Å; P48-F52 PolarHBondContact O-N 3.42Å; P48-L102 HydrophobicContact CB-CD2 3.58Å; P48-L102 HydrophobicContact CG-CD2 3.91Å
49	R	50.9	Low	49.6	Very low	101 Å²	101	74.1 Å²	74.1	38%	0.381	42%	0.419	S	S	.	.	H	α-helix	trans	-73.7	-35.8	167.4	-155.6	-176.4	173.8	-175.6	-8.9	110.4	D47 I51 F52 C53 Y89 V93	D47-R49 PolarHBondContact O-N 3.03Å; D47-R49 VanDerWaalsContact O-N 3.07Å; D47-R49 VanDerWaalsContact OD1-CA 3.3Å; D47-R49 WeakPolarHBondContact OD1-CA 3.48Å; D47-R49 WeakPolarHBondContact OD1-CB 3.45Å; D47-R49 PolarHBondContact OD1-N 3.44Å; R49-I51 VanDerWaalsContact C-N 3.34Å; R49-F52 WeakPolarHBondContact O-CB 3.46Å; R49-F52 PolarHBondContact O-N 2.78Å; R49-C53 PolarHBondContact O-N 3.32Å; R49-C53 PolarHBondContact O-SG 3.36Å; R49-Y89 WeakPolarHBondContact CD-OH 3.35Å; R49-Y89 HydrophobicContact CG-CE2 4.42Å; R49-Y89 VanDerWaalsContact CG-OH 3.27Å; R49-Y89 WeakPolarHBondContact CG-OH 3.41Å; R49-Y89 VanDerWaalsContact NE-CZ 3.32Å; R49-Y89 PolarHBondContact NE-OH 3.27Å; R49-V93 HydrophobicContact CG-CG2 4.46Å; R49-V93 VanDerWaalsContact NE-CG2 3.29Å
50	A	53.8	Low	49.4	Very low	32 Å²	32	69.9 Å²	69.9	26%	0.264	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-33.3	171.2	0	0	0	0	0	112.3	I45 D47 F52 C53 S54	I45-A50 HydrophobicContact CG2-CB 3.38Å; D47-A50 HydrophobicContact CB-CB 4.23Å; D47-A50 WeakPolarHBondContact O-CA 3.47Å; D47-A50 WeakPolarHBondContact O-CB 3.32Å; D47-A50 PolarHBondContact O-N 2.8Å; D47-A50 PolarHBondContact OD1-N 3.12Å; A50-F52 VanDerWaalsContact C-N 3.31Å; A50-F52 PolarHBondContact O-N 3.27Å; A50-C53 WeakPolarHBondContact O-CB 3.49Å; A50-C53 PolarHBondContact O-N 2.8Å; A50-S54 WeakPolarHBondContact O-CB 3.49Å; A50-S54 PolarHBondContact O-N 2.86Å; A50-S54 PolarHBondContact O-OG 2.85Å; A50-S54 VanDerWaalsContact O-OG 3.11Å
51	I	52.3	Low	48.9	Very low	31 Å²	31	68.7 Å²	68.7	16%	0.159	41%	0.408	C	S	.	.	H	α-helix	trans	-58.7	-45	168.7	-63.2	173.6	0	0	0	110.7	L42 I45 D47 P48 R49 S54 A55	L42-I51 HydrophobicContact CD2-CG2 4.26Å; L42-I51 WeakPolarHBondContact O-CD1 3.25Å; I45-I51 HydrophobicContact CB-CG1 4.35Å; I45-I51 HydrophobicContact CG2-CG1 4.39Å; D47-I51 PolarHBondContact O-N 3.42Å; P48-I51 HydrophobicContact CB-CD1 4.34Å; R49-I51 VanDerWaalsContact C-N 3.34Å; I51-S54 PolarHBondContact O-N 3.47Å; I51-A55 VanDerWaalsContact O-CB 3.23Å; I51-A55 WeakPolarHBondContact O-CB 3.49Å; I51-A55 PolarHBondContact O-N 3.45Å
52	F	50.4	Low	48.3	Very low	32 Å²	32	68.5 Å²	68.5	14%	0.14	42%	0.415	C	S	.	.	H	α-helix	trans	-64.8	-41.4	176.6	-175.6	-102	0	0	0	112	P48 R49 A50 L56 Y89 A92 W101	P48-F52 PolarHBondContact O-N 3.42Å; R49-F52 WeakPolarHBondContact O-CB 3.46Å; R49-F52 PolarHBondContact O-N 2.78Å; A50-F52 VanDerWaalsContact C-N 3.31Å; A50-F52 PolarHBondContact O-N 3.27Å; F52-L56 HydrophobicContact CD1-CD1 3.76Å; F52-L56 HydrophobicContact CD1-CG 4.35Å; F52-L56 HydrophobicContact CE1-CD1 3.21Å; F52-L56 HydrophobicContact CE1-CG 3.99Å; F52-L56 HydrophobicContact CE2-CD1 4.45Å; F52-L56 HydrophobicContact CE2-CG 4.43Å; F52-L56 HydrophobicContact CZ-CD1 3.61Å; F52-L56 HydrophobicContact CZ-CD2 4.36Å; F52-L56 HydrophobicContact CZ-CG 4.02Å; F52-L56 WeakPolarHBondContact O-CB 3.36Å; F52-L56 WeakPolarHBondContact O-CG 3.48Å; F52-L56 PolarHBondContact O-N 3.15Å; F52-Y89 HydrophobicContact CD1-CE2 4.49Å; F52-A92 HydrophobicContact CE1-CB 3.57Å; F52-A92 HydrophobicContact CZ-CB 3.72Å; F52-W101 HydrophobicContact CB-CZ3 4.4Å; F52-W101 HydrophobicContact CD2-CH2 4.43Å; F52-W101 HydrophobicContact CD2-CZ3 4.45Å
53	C	52	Low	48	Very low	27 Å²	27	72.5 Å²	72.5	18%	0.182	44%	0.44	C	S	.	.	H	α-helix	trans	-60.4	-47.9	173.3	-68.7	0	0	0	0	112.4	R49 A50 L56 A57 Y89	R49-C53 PolarHBondContact O-N 3.32Å; R49-C53 PolarHBondContact O-SG 3.36Å; A50-C53 WeakPolarHBondContact O-CB 3.49Å; A50-C53 PolarHBondContact O-N 2.8Å; C53-L56 PolarHBondContact O-N 3.05Å; C53-A57 VanDerWaalsContact O-CB 3.29Å; C53-A57 WeakPolarHBondContact O-CB 3.49Å; C53-A57 PolarHBondContact O-N 2.88Å; C53-Y89 WeakPolarHBondContact SG-CE2 3.45Å; C53-Y89 PolarHBondContact SG-OH 3.19Å
54	S	55.6	Low	47.6	Very low	40 Å²	40	75.9 Å²	75.9	28%	0.28	45%	0.454	S	S	.	.	H	α-helix	trans	-64.6	-44.9	-180	-63.6	0	0	0	0	110.6	A50 I51 L56 A57 E58	A50-S54 WeakPolarHBondContact O-CB 3.49Å; A50-S54 PolarHBondContact O-N 2.86Å; A50-S54 PolarHBondContact O-OG 2.85Å; A50-S54 VanDerWaalsContact O-OG 3.11Å; I51-S54 PolarHBondContact O-N 3.47Å; S54-L56 VanDerWaalsContact C-N 3.29Å; S54-L56 PolarHBondContact O-N 3.35Å; S54-A57 PolarHBondContact O-N 3.15Å; S54-A57 VanDerWaalsContact O-N 3.1Å; S54-E58 PolarHBondContact O-N 3.18Å
55	A	50.9	Low	47.1	Very low	53 Å²	53	75.9 Å²	75.9	44%	0.438	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-36.4	175.3	0	0	0	0	0	112.3	I51 G59	I51-A55 VanDerWaalsContact O-CB 3.23Å; I51-A55 WeakPolarHBondContact O-CB 3.49Å; I51-A55 PolarHBondContact O-N 3.45Å; A55-G59 VanDerWaalsContact O-CA 3.28Å; A55-G59 WeakPolarHBondContact O-CA 3.25Å; A55-G59 PolarHBondContact O-N 3.01Å
56	L	50.3	Low	46.4	Very low	54 Å²	54	79.1 Å²	79.1	28%	0.283	48%	0.48	S	S	.	.	H	α-helix	trans	-71.2	-37.3	172.4	-79.1	-178.9	0	0	0	112.7	F52 C53 S54 G60	F52-L56 HydrophobicContact CD1-CD1 3.76Å; F52-L56 HydrophobicContact CD1-CG 4.35Å; F52-L56 HydrophobicContact CE1-CD1 3.21Å; F52-L56 HydrophobicContact CE1-CG 3.99Å; F52-L56 HydrophobicContact CE2-CD1 4.45Å; F52-L56 HydrophobicContact CE2-CG 4.43Å; F52-L56 HydrophobicContact CZ-CD1 3.61Å; F52-L56 HydrophobicContact CZ-CD2 4.36Å; F52-L56 HydrophobicContact CZ-CG 4.02Å; F52-L56 WeakPolarHBondContact O-CB 3.36Å; F52-L56 WeakPolarHBondContact O-CG 3.48Å; F52-L56 PolarHBondContact O-N 3.15Å; C53-L56 PolarHBondContact O-N 3.05Å; S54-L56 VanDerWaalsContact C-N 3.29Å; S54-L56 PolarHBondContact O-N 3.35Å; L56-G60 PolarHBondContact O-N 2.88Å
57	A	49.6	Very low	45.9	Very low	68 Å²	68	76.4 Å²	76.4	56%	0.562	47%	0.474	S	S	*	.	H	α-helix	trans	-68.7	-44.5	179.3	0	0	0	0	0	111.6	C53 S54 G60	C53-A57 VanDerWaalsContact O-CB 3.29Å; C53-A57 WeakPolarHBondContact O-CB 3.49Å; C53-A57 PolarHBondContact O-N 2.88Å; S54-A57 PolarHBondContact O-N 3.15Å; S54-A57 VanDerWaalsContact O-N 3.1Å; A57-G60 PolarHBondContact O-N 2.99Å
58	E	51.5	Low	45.4	Very low	120 Å²	120	78.7 Å²	78.7	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-75.9	-37.2	175.8	-72.7	-172	95.5	0	0	112.5	V37 S54 G60	V37-E58 VanDerWaalsContact CG2-OE1 3.29Å; V37-E58 WeakPolarHBondContact CG2-OE1 3.34Å; V37-E58 VanDerWaalsContact CG2-OE2 3.26Å; V37-E58 WeakPolarHBondContact CG2-OE2 3.38Å; S54-E58 PolarHBondContact O-N 3.18Å; E58-G60 PolarHBondContact O-N 3.48Å
59	G	44.9	Very low	44.7	Very low	40 Å²	40	79.5 Å²	79.5	41%	0.412	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-2.6	172.7	0	0	0	0	0	113.5	A55 M61	A55-G59 VanDerWaalsContact O-CA 3.28Å; A55-G59 WeakPolarHBondContact O-CA 3.25Å; A55-G59 PolarHBondContact O-N 3.01Å; G59-M61 VanDerWaalsContact C-N 3.28Å; G59-M61 PolarHBondContact O-N 3.28Å
60	G	37.9	Very low	44.2	Very low	41 Å²	41	82.3 Å²	82.3	42%	0.423	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	38.9	63.9	152.5	0	0	0	0	0	110	L56 A57 E58 S62	L56-G60 PolarHBondContact O-N 2.88Å; A57-G60 PolarHBondContact O-N 2.99Å; E58-G60 PolarHBondContact O-N 3.48Å; G60-S62 PolarHBondContact O-N 2.9Å
61	M	38.3	Very low	43.8	Very low	135 Å²	135	88.3 Å²	88.3	67%	0.665	56%	0.558	S	S	*	*			trans	-60.9	84.3	175	-150.5	137	68.4	0	0	105.3	G59 V63	G59-M61 VanDerWaalsContact C-N 3.28Å; G59-M61 PolarHBondContact O-N 3.28Å; M61-V63 PolarHBondContact O-N 2.83Å
62	S	36	Very low	43.2	Very low	106 Å²	106	90.8 Å²	90.8	74%	0.741	58%	0.582	S	S	*	*			trans	-62.8	80	161.6	-68.2	0	0	0	0	102.5	G60 E64	G60-S62 PolarHBondContact O-N 2.9Å; S62-E64 PolarHBondContact O-N 3.46Å
63	V	39.2	Very low	42.8	Very low	112 Å²	112	98.5 Å²	98.5	68%	0.679	62%	0.619	S	S	*	*			trans	-55.1	108.1	160.1	104.3	0	0	0	0	101	M61 A65	M61-V63 PolarHBondContact O-N 2.83Å; V63-A65 HydrophobicContact CG1-CB 3.97Å; V63-A65 PolarHBondContact O-N 2.76Å
64	E	36.9	Very low	42.5	Very low	186 Å²	186	104.1 Å²	104.1	87%	0.869	64%	0.643	S	S	*	*			trans	-65.6	77	169.7	-64.7	-163.6	104.5	0	0	104.9	S62 S66	S62-E64 PolarHBondContact O-N 3.46Å; E64-S66 PolarHBondContact O-N 3.21Å
65	A	37.7	Very low	42	Very low	78 Å²	78	112.4 Å²	112.4	65%	0.645	68%	0.677	S	S	*	*			trans	-64.5	90.3	166.3	0	0	0	0	0	103.7	V63 S67	V63-A65 HydrophobicContact CG1-CB 3.97Å; V63-A65 PolarHBondContact O-N 2.76Å; A65-S67 PolarHBondContact O-N 2.88Å
66	S	34	Very low	41.8	Very low	112 Å²	112	112.7 Å²	112.7	78%	0.783	68%	0.675	S	S	*	*			trans	-60.6	75.5	167	-163.5	0	0	0	0	107.5	E64 T68	E64-S66 PolarHBondContact O-N 3.21Å; S66-T68 PolarHBondContact O-N 3.11Å
67	S	38.8	Very low	42	Very low	107 Å²	107	114 Å²	114	75%	0.748	68%	0.683	S	S	*	*			trans	-93	85.9	175.9	-169.7	0	0	0	0	107.6	A65 G69	A65-S67 PolarHBondContact O-N 2.88Å; S67-G69 PolarHBondContact O-N 3.46Å
68	T	41.5	Very low	42.3	Very low	135 Å²	135	117 Å²	117	83%	0.828	69%	0.69	S	S	*	*			trans	-70.5	102.7	160.1	-67	0	0	0	0	107.8	S66	S66-T68 PolarHBondContact O-N 3.11Å
69	G	36.6	Very low	42.5	Very low	59 Å²	59	117 Å²	117	61%	0.608	69%	0.69	S	S	*	*			trans	89.4	141.6	144.9	0	0	0	0	0	118.9	S67	S67-G69 PolarHBondContact O-N 3.46Å
70	D	40.2	Very low	43.2	Very low	160 Å²	160	120.3 Å²	120.3	86%	0.856	70%	0.695	S	S	*	*			trans	85.5	86.3	156.8	-110.2	-127.3	0	0	0	119.6	A72	D70-A72 PolarHBondContact O-N 3.19Å
71	D	44.4	Very low	44	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	70%	0.699	S	S	*	*				19.6	86.6	119.8	-155.8	72.1	0	0	0	116.7
72	A	41.6	Very low	44.6	Very low	82 Å²	82	121.4 Å²	121.4	68%	0.678	69%	0.689	S	S	*	*			trans	-166.8	117	149	0	0	0	0	0	110.3	D70 E74	D70-A72 PolarHBondContact O-N 3.19Å; A72-E74 PolarHBondContact O-N 2.99Å
73	E	42	Very low	45.9	Very low	194 Å²	194	122.7 Å²	122.7	91%	0.907	68%	0.679	S	S	*	*			trans	-25	95.7	166.4	-51.5	-77.6	110.9	0	0	115.1
74	E	45.4	Very low	46.8	Very low	146 Å²	146	123.8 Å²	123.8	68%	0.682	67%	0.671	S	S	*	*			trans	-123.3	83.9	168.7	-78.4	-98.6	123.1	0	0	108.7	A72 S76	A72-E74 PolarHBondContact O-N 2.99Å; E74-S76 PolarHBondContact O-N 3.44Å; E74-S76 PolarHBondContact OE2-OG 2.79Å
75	E	44.8	Very low	47.7	Very low	214 Å²	214	120.8 Å²	120.8	100%	1	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	36.7	160.2	-72.5	-162.2	115.5	0	0	111.6
76	S	46.5	Very low	48.4	Very low	58 Å²	58	120.7 Å²	120.7	41%	0.406	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.5	-12.5	179.5	73	0	0	0	0	112.3	E74 N78 E79	E74-S76 PolarHBondContact O-N 3.44Å; E74-S76 PolarHBondContact OE2-OG 2.79Å; S76-N78 PolarHBondContact O-N 3.2Å; S76-E79 PolarHBondContact O-N 3.37Å
77	D	54.9	Low	49.7	Very low	82 Å²	82	118.1 Å²	118.1	44%	0.439	63%	0.625	S	S	.	*	H	α-helix	trans	-73	-28.2	-169	-153.4	10.3	0	0	0	113.2	E79 M80 E81 R84	D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 3.04Å; D77-M80 PolarHBondContact O-N 3.01Å; D77-E81 WeakPolarHBondContact O-CG 3.44Å; D77-E81 PolarHBondContact O-N 2.74Å; D77-R84 IonicContact OD1-NH2 3.66Å; D77-R84 PolarHBondContact OD1-NH2 2.93Å
78	N	54.8	Low	50.6	Low	132 Å²	132	115.3 Å²	115.3	71%	0.706	61%	0.608	S	S	*	*	H	α-helix	trans	-63.1	-34.3	179.7	-177.7	90.2	0	0	0	112.9	S76 M82	S76-N78 PolarHBondContact O-N 3.2Å; N78-M82 WeakPolarHBondContact O-CB 3.1Å; N78-M82 PolarHBondContact O-N 3.39Å; N78-M82 VanDerWaalsContact O-N 3.13Å
79	E	57.1	Low	51.1	Low	120 Å²	120	110.6 Å²	110.6	56%	0.561	58%	0.575	S	S	*	*	H	α-helix	trans	-71.8	-40.1	177.8	-158.7	-174.6	85	0	0	110.9	S76 D77 M82 Y83	S76-E79 PolarHBondContact O-N 3.37Å; D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 3.04Å; E79-M82 WeakPolarHBondContact O-CB 3.27Å; E79-M82 PolarHBondContact O-N 2.76Å; E79-Y83 HydrophobicContact CG-CD2 4.15Å; E79-Y83 HydrophobicContact CG-CE2 3.59Å; E79-Y83 WeakPolarHBondContact O-CD2 3.34Å; E79-Y83 PolarHBondContact O-N 2.88Å; E79-Y83 WeakPolarHBondContact OE1-CE2 3.18Å
80	M	59.3	Low	52.2	Low	108 Å²	108	113.6 Å²	113.6	53%	0.532	57%	0.574	S	S	.	*	H	α-helix	trans	-69.2	-38.4	178.6	-169.9	174.5	-65.9	0	0	112.2	D77 M82 Y83 R84	D77-M80 PolarHBondContact O-N 3.01Å; M80-M82 VanDerWaalsContact C-N 3.33Å; M80-Y83 PolarHBondContact O-N 2.84Å; M80-R84 WeakPolarHBondContact O-CG 3.33Å; M80-R84 PolarHBondContact O-N 2.89Å
81	E	53.3	Low	53.3	Low	108 Å²	108	113.1 Å²	113.1	51%	0.505	57%	0.566	S	S	.	*	H	α-helix	trans	-61.2	-42	171.4	-71	-157.6	109.8	0	0	111.8	D77 Y83 R84 W85	D77-E81 WeakPolarHBondContact O-CG 3.44Å; D77-E81 PolarHBondContact O-N 2.74Å; E81-Y83 PolarHBondContact O-N 3.37Å; E81-R84 PolarHBondContact O-N 3.34Å; E81-W85 WeakPolarHBondContact O-CB 3.36Å; E81-W85 PolarHBondContact O-N 3.11Å
82	M	52.1	Low	54	Low	91 Å²	91	106.7 Å²	106.7	45%	0.448	54%	0.535	S	S	.	.	H	α-helix	trans	-60.3	-44.1	175.3	-170.2	-170.8	71.8	0	0	111.9	N78 E79 M80 W85 L86	N78-M82 WeakPolarHBondContact O-CB 3.1Å; N78-M82 PolarHBondContact O-N 3.39Å; N78-M82 VanDerWaalsContact O-N 3.13Å; E79-M82 WeakPolarHBondContact O-CB 3.27Å; E79-M82 PolarHBondContact O-N 2.76Å; M80-M82 VanDerWaalsContact C-N 3.33Å; M82-W85 PolarHBondContact O-N 3Å; M82-L86 HydrophobicContact CE-CD1 4.35Å; M82-L86 HydrophobicContact CG-CD1 4.14Å; M82-L86 WeakPolarHBondContact O-CB 3.37Å; M82-L86 PolarHBondContact O-N 3.44Å
83	Y	63.7	Low	54.8	Low	134 Å²	134	104.8 Å²	104.8	53%	0.525	52%	0.515	S	S	.	.	H	α-helix	trans	-65.8	-39.8	176.6	-73.8	-64.8	0	0	0	112.8	E79 M80 E81 W85 L86 A87	E79-Y83 HydrophobicContact CG-CD2 4.15Å; E79-Y83 HydrophobicContact CG-CE2 3.59Å; E79-Y83 WeakPolarHBondContact O-CD2 3.34Å; E79-Y83 PolarHBondContact O-N 2.88Å; E79-Y83 WeakPolarHBondContact OE1-CE2 3.18Å; M80-Y83 PolarHBondContact O-N 2.84Å; E81-Y83 PolarHBondContact O-N 3.37Å; Y83-W85 VanDerWaalsContact C-N 3.29Å; Y83-W85 PolarHBondContact O-N 3.46Å; Y83-L86 PolarHBondContact O-N 3.44Å; Y83-A87 WeakPolarHBondContact O-CB 3.37Å; Y83-A87 PolarHBondContact O-N 2.84Å
84	R	56.5	Low	55.9	Low	135 Å²	135	102.8 Å²	102.8	51%	0.509	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-41.2	174.7	-76.2	-174.3	-83	-142.9	-0.9	111.1	D77 M80 E81 A87 A88	D77-R84 IonicContact OD1-NH2 3.66Å; D77-R84 PolarHBondContact OD1-NH2 2.93Å; M80-R84 WeakPolarHBondContact O-CG 3.33Å; M80-R84 PolarHBondContact O-N 2.89Å; E81-R84 PolarHBondContact O-N 3.34Å; R84-A87 PolarHBondContact O-N 3.33Å; R84-A88 WeakPolarHBondContact O-CB 3.49Å; R84-A88 PolarHBondContact O-N 2.87Å
85	W	57.5	Low	56.7	Low	123 Å²	123	97.8 Å²	97.8	47%	0.466	49%	0.489	S	S	.	.	H	α-helix	trans	-65.5	-45.7	176.9	-168.8	90.6	0	0	0	112	E81 M82 Y83 A87 A88 Y89	E81-W85 WeakPolarHBondContact O-CB 3.36Å; E81-W85 PolarHBondContact O-N 3.11Å; M82-W85 PolarHBondContact O-N 3Å; Y83-W85 VanDerWaalsContact C-N 3.29Å; Y83-W85 PolarHBondContact O-N 3.46Å; W85-A87 VanDerWaalsContact C-N 3.34Å; W85-A87 PolarHBondContact O-N 2.97Å; W85-A88 PolarHBondContact O-N 2.99Å; W85-Y89 HydrophobicContact CH2-CD2 4.39Å; W85-Y89 HydrophobicContact CH2-CG 4.38Å; W85-Y89 HydrophobicContact CZ3-CG 4.32Å; W85-Y89 VanDerWaalsContact O-CB 3.28Å; W85-Y89 WeakPolarHBondContact O-CB 3.37Å; W85-Y89 PolarHBondContact O-N 3.07Å
86	L	50.8	Low	57.5	Low	76 Å²	76	93.9 Å²	93.9	40%	0.398	48%	0.482	S	S	.	.	H	α-helix	trans	-58.3	-44.3	174.8	-91.2	152.7	0	0	0	112	M82 Y83 Y89 E90	M82-L86 HydrophobicContact CE-CD1 4.35Å; M82-L86 HydrophobicContact CG-CD1 4.14Å; M82-L86 WeakPolarHBondContact O-CB 3.37Å; M82-L86 PolarHBondContact O-N 3.44Å; Y83-L86 PolarHBondContact O-N 3.44Å; L86-Y89 PolarHBondContact O-N 2.79Å; L86-E90 WeakPolarHBondContact O-CB 3.39Å; L86-E90 PolarHBondContact O-N 3.28Å
87	A	62.6	Low	58.5	Low	57 Å²	57	93.2 Å²	93.2	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-44.6	178.1	0	0	0	0	0	112.2	Y83 R84 W85 Y89 E90 E91	Y83-A87 WeakPolarHBondContact O-CB 3.37Å; Y83-A87 PolarHBondContact O-N 2.84Å; R84-A87 PolarHBondContact O-N 3.33Å; W85-A87 VanDerWaalsContact C-N 3.34Å; W85-A87 PolarHBondContact O-N 2.97Å; A87-Y89 VanDerWaalsContact C-N 3.31Å; A87-Y89 PolarHBondContact O-N 2.97Å; A87-E90 PolarHBondContact O-N 3.3Å; A87-E91 WeakPolarHBondContact O-CB 3.49Å; A87-E91 PolarHBondContact O-N 3.01Å
88	A	57.1	Low	59	Low	48 Å²	48	90.2 Å²	90.2	40%	0.397	47%	0.468	S	S	.	.	H	α-helix	trans	-64.5	-37.5	176.5	0	0	0	0	0	111.9	R84 W85 A92	R84-A88 WeakPolarHBondContact O-CB 3.49Å; R84-A88 PolarHBondContact O-N 2.87Å; W85-A88 PolarHBondContact O-N 2.99Å; A88-A92 WeakPolarHBondContact O-CB 3.37Å; A88-A92 PolarHBondContact O-N 3.44Å
89	Y	51.9	Low	59.6	Low	36 Å²	36	88.7 Å²	88.7	14%	0.141	46%	0.46	C	S	.	.	H	α-helix	trans	-67.6	-43.3	175.2	178.8	-109.6	0	0	0	112.1	R49 F52 C53 W85 L86 A87 A92 V93	R49-Y89 WeakPolarHBondContact CD-OH 3.35Å; R49-Y89 HydrophobicContact CG-CE2 4.42Å; R49-Y89 VanDerWaalsContact CG-OH 3.27Å; R49-Y89 WeakPolarHBondContact CG-OH 3.41Å; R49-Y89 VanDerWaalsContact NE-CZ 3.32Å; R49-Y89 PolarHBondContact NE-OH 3.27Å; F52-Y89 HydrophobicContact CD1-CE2 4.49Å; C53-Y89 WeakPolarHBondContact SG-CE2 3.45Å; C53-Y89 PolarHBondContact SG-OH 3.19Å; W85-Y89 HydrophobicContact CH2-CD2 4.39Å; W85-Y89 HydrophobicContact CH2-CG 4.38Å; W85-Y89 HydrophobicContact CZ3-CG 4.32Å; W85-Y89 VanDerWaalsContact O-CB 3.28Å; W85-Y89 WeakPolarHBondContact O-CB 3.37Å; W85-Y89 PolarHBondContact O-N 3.07Å; L86-Y89 PolarHBondContact O-N 2.79Å; A87-Y89 VanDerWaalsContact C-N 3.31Å; A87-Y89 PolarHBondContact O-N 2.97Å; Y89-A92 PolarHBondContact O-N 2.86Å; Y89-V93 HydrophobicContact CD1-CG2 4.29Å; Y89-V93 HydrophobicContact CD2-CG2 4.17Å; Y89-V93 HydrophobicContact CE1-CG2 4.07Å; Y89-V93 HydrophobicContact CE2-CG2 3.85Å; Y89-V93 HydrophobicContact CG-CG2 4.4Å; Y89-V93 WeakPolarHBondContact O-CB 3.18Å; Y89-V93 WeakPolarHBondContact O-CG2 3.27Å; Y89-V93 PolarHBondContact O-N 3.38Å
90	E	59	Low	60.2	Low	123 Å²	123	87.7 Å²	87.7	58%	0.575	46%	0.456	S	S	*	.	H	α-helix	trans	-63.4	-44.7	176.5	-165.4	167.3	-169.8	0	0	110.6	L86 A87 A92 V93 E94	L86-E90 WeakPolarHBondContact O-CB 3.39Å; L86-E90 PolarHBondContact O-N 3.28Å; A87-E90 PolarHBondContact O-N 3.3Å; E90-A92 PolarHBondContact O-N 2.89Å; E90-V93 PolarHBondContact O-N 2.9Å; E90-E94 WeakPolarHBondContact O-CB 3.15Å; E90-E94 WeakPolarHBondContact O-CG 3.28Å; E90-E94 PolarHBondContact O-N 2.97Å
91	E	63.5	Low	60.7	Low	150 Å²	150	85.6 Å²	85.6	70%	0.701	44%	0.442	S	S	*	.	H	α-helix	trans	-61.8	-42.1	174.3	-174.3	177.5	168.5	0	0	112.2	A87 V93 E94 A95	A87-E91 WeakPolarHBondContact O-CB 3.49Å; A87-E91 PolarHBondContact O-N 3.01Å; E91-V93 VanDerWaalsContact C-N 3.31Å; E91-V93 PolarHBondContact O-N 3.27Å; E91-E94 CarbonylContact O-C 3.56Å; E91-E94 PolarHBondContact O-N 3.48Å; E91-A95 PolarHBondContact O-N 3.44Å
92	A	58.8	Low	61.3	Low	23 Å²	23	82.4 Å²	82.4	19%	0.19	43%	0.428	C	S	.	.	H	α-helix	trans	-67.1	-33.8	176.6	0	0	0	0	0	112.3	F52 A88 Y89 E90 A95	F52-A92 HydrophobicContact CE1-CB 3.57Å; F52-A92 HydrophobicContact CZ-CB 3.72Å; A88-A92 WeakPolarHBondContact O-CB 3.37Å; A88-A92 PolarHBondContact O-N 3.44Å; Y89-A92 PolarHBondContact O-N 2.86Å; E90-A92 PolarHBondContact O-N 2.89Å; A92-A95 WeakPolarHBondContact O-CB 3.43Å; A92-A95 PolarHBondContact O-N 3.35Å
93	V	58.8	Low	62.2	Low	42 Å²	42	83.3 Å²	83.3	26%	0.255	43%	0.429	S	S	.	.	H	α-helix	trans	-71.5	-36.9	175.9	171	0	0	0	0	111.7	R49 Y89 E90 E91 A95 L98	R49-V93 HydrophobicContact CG-CG2 4.46Å; R49-V93 VanDerWaalsContact NE-CG2 3.29Å; Y89-V93 HydrophobicContact CD1-CG2 4.29Å; Y89-V93 HydrophobicContact CD2-CG2 4.17Å; Y89-V93 HydrophobicContact CE1-CG2 4.07Å; Y89-V93 HydrophobicContact CE2-CG2 3.85Å; Y89-V93 HydrophobicContact CG-CG2 4.4Å; Y89-V93 WeakPolarHBondContact O-CB 3.18Å; Y89-V93 WeakPolarHBondContact O-CG2 3.27Å; Y89-V93 PolarHBondContact O-N 3.38Å; E90-V93 PolarHBondContact O-N 2.9Å; E91-V93 VanDerWaalsContact C-N 3.31Å; E91-V93 PolarHBondContact O-N 3.27Å; V93-A95 VanDerWaalsContact C-N 3.25Å; V93-L98 HydrophobicContact CB-CD2 4.34Å; V93-L98 HydrophobicContact CG2-CD2 4.29Å
94	E	65.1	Low	62	Low	153 Å²	153	80.2 Å²	80.2	72%	0.715	42%	0.422	S	S	*	.	H	α-helix	trans	-81.4	-4.1	173.6	-66.4	-160.2	121.6	0	0	113.2	E90 E91	E90-E94 WeakPolarHBondContact O-CB 3.15Å; E90-E94 WeakPolarHBondContact O-CG 3.28Å; E90-E94 PolarHBondContact O-N 2.97Å; E91-E94 CarbonylContact O-C 3.56Å; E91-E94 PolarHBondContact O-N 3.48Å
95	A	63.2	Low	62.1	Low	41 Å²	41	75.4 Å²	75.4	34%	0.339	41%	0.408	S	S	.	.	S	Bend	trans	-58	125.9	-177.4	0	0	0	0	0	110.4	E91 A92 V93 G97 L98	E91-A95 PolarHBondContact O-N 3.44Å; A92-A95 WeakPolarHBondContact O-CB 3.43Å; A92-A95 PolarHBondContact O-N 3.35Å; V93-A95 VanDerWaalsContact C-N 3.25Å; A95-G97 PolarHBondContact O-N 3.33Å; A95-L98 PolarHBondContact O-N 3.11Å
96	P	60.6	Low	62.4	Low	131 Å²	131	75.5 Å²	75.5	85%	0.851	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	108.1	-178.3	24.1	-32.7	0	0	0	109.6
97	G	67.6	Low	63	Low	44 Å²	44	80.2 Å²	80.2	45%	0.454	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	120	-9.2	-178.4	0	0	0	0	0	114.5	A95 D99 Q100 W101	A95-G97 PolarHBondContact O-N 3.33Å; G97-D99 VanDerWaalsContact C-N 3.32Å; G97-D99 PolarHBondContact O-N 3.43Å; G97-Q100 CarbonylContact O-C 3.58Å; G97-Q100 PolarHBondContact O-N 2.79Å; G97-Q100 VanDerWaalsContact O-N 3.11Å; G97-W101 WeakPolarHBondContact O-CB 3.2Å; G97-W101 PolarHBondContact O-N 3.31Å
98	L	65.7	Low	62.7	Low	19 Å²	19	80.9 Å²	80.9	10%	0.099	42%	0.419	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176.3	-174.6	70.2	0	0	0	111.4	V93 A95 Q100 W101 L102	V93-L98 HydrophobicContact CB-CD2 4.34Å; V93-L98 HydrophobicContact CG2-CD2 4.29Å; A95-L98 PolarHBondContact O-N 3.11Å; L98-Q100 VanDerWaalsContact C-N 3.27Å; L98-Q100 PolarHBondContact O-N 3.1Å; L98-W101 HydrophobicContact CD1-CE3 3.83Å; L98-W101 HydrophobicContact CD1-CZ3 4.39Å; L98-W101 CarbonylContact O-C 3.5Å; L98-W101 WeakPolarHBondContact O-CB 3.42Å; L98-W101 PolarHBondContact O-N 3.11Å; L98-W101 VanDerWaalsContact O-N 3.13Å; L98-L102 HydrophobicContact CD1-CG 4.47Å; L98-L102 HydrophobicContact CD2-CD1 4.38Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 HydrophobicContact CG-CG 4.23Å; L98-L102 WeakPolarHBondContact O-CB 2.96Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 2.8Å
99	D	67.4	Low	62.5	Low	100 Å²	100	81.5 Å²	81.5	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-58.1	-40.5	175.4	175.4	-99.3	0	0	0	112.1	G97 K103	G97-D99 VanDerWaalsContact C-N 3.32Å; G97-D99 PolarHBondContact O-N 3.43Å; D99-K103 WeakPolarHBondContact O-CB 3.33Å; D99-K103 VanDerWaalsContact O-CG 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.37Å; D99-K103 PolarHBondContact O-N 3.25Å; D99-K103 VanDerWaalsContact OD1-CE 3.22Å; D99-K103 WeakPolarHBondContact OD1-CE 3.5Å; D99-K103 IonicContact OD1-NZ 2.64Å; D99-K103 PolarHBondContact OD1-NZ 2.79Å; D99-K103 IonicContact OD2-NZ 3.81Å
100	Q	69.7	Low	62.9	Low	100 Å²	100	86.3 Å²	86.3	47%	0.467	45%	0.445	S	S	.	.	H	α-helix	trans	-69.2	-40	176.3	-173.6	58	59.9	0	0	111.5	G97 L98 K103 D104	G97-Q100 CarbonylContact O-C 3.58Å; G97-Q100 PolarHBondContact O-N 2.79Å; G97-Q100 VanDerWaalsContact O-N 3.11Å; L98-Q100 VanDerWaalsContact C-N 3.27Å; L98-Q100 PolarHBondContact O-N 3.1Å; Q100-K103 WeakPolarHBondContact O-CB 3.35Å; Q100-K103 PolarHBondContact O-N 3.29Å; Q100-D104 PolarHBondContact NE2-OD1 3.38Å; Q100-D104 WeakPolarHBondContact O-CB 3.43Å; Q100-D104 PolarHBondContact O-N 2.88Å
101	W	71	Confident	62.7	Low	64 Å²	64	83.5 Å²	83.5	24%	0.242	44%	0.438	C	S	.	.	H	α-helix	trans	-63	-45.2	175.3	178.9	86.5	0	0	0	111.3	F52 G97 L98 K103 D104 V105	F52-W101 HydrophobicContact CB-CZ3 4.4Å; F52-W101 HydrophobicContact CD2-CH2 4.43Å; F52-W101 HydrophobicContact CD2-CZ3 4.45Å; G97-W101 WeakPolarHBondContact O-CB 3.2Å; G97-W101 PolarHBondContact O-N 3.31Å; L98-W101 HydrophobicContact CD1-CE3 3.83Å; L98-W101 HydrophobicContact CD1-CZ3 4.39Å; L98-W101 CarbonylContact O-C 3.5Å; L98-W101 WeakPolarHBondContact O-CB 3.42Å; L98-W101 PolarHBondContact O-N 3.11Å; L98-W101 VanDerWaalsContact O-N 3.13Å; W101-K103 VanDerWaalsContact C-N 3.31Å; W101-K103 PolarHBondContact O-N 3.29Å; W101-D104 CarbonylContact O-C 3.6Å; W101-D104 WeakPolarHBondContact O-CA 3.47Å; W101-D104 WeakPolarHBondContact O-CB 3.28Å; W101-D104 PolarHBondContact O-N 3.32Å; W101-V105 HydrophobicContact CD2-CG2 3.82Å; W101-V105 HydrophobicContact CE3-CG2 4.07Å; W101-V105 HydrophobicContact CG-CG2 4.5Å; W101-V105 HydrophobicContact CH2-CG2 3.82Å; W101-V105 HydrophobicContact CZ2-CG2 3.55Å; W101-V105 HydrophobicContact CZ3-CG2 4.07Å; W101-V105 WeakPolarHBondContact O-CG2 3.42Å; W101-V105 PolarHBondContact O-N 3.13Å
102	L	65.8	Low	61.9	Low	40 Å²	40	85.6 Å²	85.6	21%	0.209	44%	0.439	C	S	.	.	H	α-helix	trans	-60.7	-41.2	175.7	-70.9	170.8	0	0	0	111.3	P48 L98 D104 V105 K106	P48-L102 HydrophobicContact CB-CD2 3.58Å; P48-L102 HydrophobicContact CG-CD2 3.91Å; L98-L102 HydrophobicContact CD1-CG 4.47Å; L98-L102 HydrophobicContact CD2-CD1 4.38Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 HydrophobicContact CG-CG 4.23Å; L98-L102 WeakPolarHBondContact O-CB 2.96Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 2.8Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-V105 PolarHBondContact O-N 3.31Å; L102-K106 WeakPolarHBondContact O-CB 3.45Å; L102-K106 PolarHBondContact O-N 3.47Å
103	K	69.1	Low	61.5	Low	110 Å²	110	87.9 Å²	87.9	48%	0.478	46%	0.458	S	S	.	.	H	α-helix	trans	-61.6	-41.1	172.4	-76.1	167.8	179.6	163.5	0	112	D99 Q100 W101 R107	D99-K103 WeakPolarHBondContact O-CB 3.33Å; D99-K103 VanDerWaalsContact O-CG 3.3Å; D99-K103 WeakPolarHBondContact O-CG 3.37Å; D99-K103 PolarHBondContact O-N 3.25Å; D99-K103 VanDerWaalsContact OD1-CE 3.22Å; D99-K103 WeakPolarHBondContact OD1-CE 3.5Å; D99-K103 IonicContact OD1-NZ 2.64Å; D99-K103 PolarHBondContact OD1-NZ 2.79Å; D99-K103 IonicContact OD2-NZ 3.81Å; Q100-K103 WeakPolarHBondContact O-CB 3.35Å; Q100-K103 PolarHBondContact O-N 3.29Å; W101-K103 VanDerWaalsContact C-N 3.31Å; W101-K103 PolarHBondContact O-N 3.29Å; K103-R107 VanDerWaalsContact O-CB 3.25Å; K103-R107 WeakPolarHBondContact O-CB 3.36Å; K103-R107 PolarHBondContact O-N 2.71Å
104	D	60.7	Low	60.9	Low	70 Å²	70	91.6 Å²	91.6	37%	0.374	48%	0.476	S	S	.	.	H	α-helix	trans	-69.5	-40.1	178.8	-69.1	-16.7	0	0	0	111.7	Q100 W101 L102 R107 L108	Q100-D104 PolarHBondContact NE2-OD1 3.38Å; Q100-D104 WeakPolarHBondContact O-CB 3.43Å; Q100-D104 PolarHBondContact O-N 2.88Å; W101-D104 CarbonylContact O-C 3.6Å; W101-D104 WeakPolarHBondContact O-CA 3.47Å; W101-D104 WeakPolarHBondContact O-CB 3.28Å; W101-D104 PolarHBondContact O-N 3.32Å; L102-D104 VanDerWaalsContact C-N 3.33Å; D104-R107 PolarHBondContact O-N 2.87Å; D104-L108 WeakPolarHBondContact O-CB 3.42Å; D104-L108 WeakPolarHBondContact O-CD1 3.48Å; D104-L108 VanDerWaalsContact O-CG 3.25Å; D104-L108 WeakPolarHBondContact O-CG 3.37Å; D104-L108 PolarHBondContact O-N 2.82Å
105	V	58.9	Low	59.9	Low	34 Å²	34	87.2 Å²	87.2	21%	0.206	46%	0.462	C	S	.	.	H	α-helix	trans	-63.1	-46.1	173.6	170.7	0	0	0	0	110.7	W101 L102 R107 L108 S109	W101-V105 HydrophobicContact CD2-CG2 3.82Å; W101-V105 HydrophobicContact CE3-CG2 4.07Å; W101-V105 HydrophobicContact CG-CG2 4.5Å; W101-V105 HydrophobicContact CH2-CG2 3.82Å; W101-V105 HydrophobicContact CZ2-CG2 3.55Å; W101-V105 HydrophobicContact CZ3-CG2 4.07Å; W101-V105 WeakPolarHBondContact O-CG2 3.42Å; W101-V105 PolarHBondContact O-N 3.13Å; L102-V105 PolarHBondContact O-N 3.31Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 2.84Å; V105-L108 CarbonylContact O-C 3.57Å; V105-L108 WeakPolarHBondContact O-CA 3.29Å; V105-L108 WeakPolarHBondContact O-CB 3.37Å; V105-L108 PolarHBondContact O-N 3Å; V105-L108 VanDerWaalsContact O-N 3.12Å; V105-S109 PolarHBondContact O-N 3.16Å
106	K	63.2	Low	58.9	Low	125 Å²	125	88.3 Å²	88.3	54%	0.543	46%	0.461	S	S	.	.	H	α-helix	trans	-61.2	-42.3	175	-177.4	174.6	179.7	172.4	0	111.6	L102 L108 S109 E110	L102-K106 WeakPolarHBondContact O-CB 3.45Å; L102-K106 PolarHBondContact O-N 3.47Å; K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 3.13Å; K106-S109 PolarHBondContact O-N 3.28Å; K106-S109 PolarHBondContact O-OG 3.24Å; K106-E110 WeakPolarHBondContact CE-OE1 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.23Å; K106-E110 PolarHBondContact O-N 3.39Å
107	R	62.7	Low	58	Low	174 Å²	174	89 Å²	89	66%	0.657	46%	0.457	S	S	*	.	H	α-helix	trans	-65	-34.1	175.7	-172.8	178	-179.7	-148.5	-1.8	111.8	K103 D104 V105 C111	K103-R107 VanDerWaalsContact O-CB 3.25Å; K103-R107 WeakPolarHBondContact O-CB 3.36Å; K103-R107 PolarHBondContact O-N 2.71Å; D104-R107 PolarHBondContact O-N 2.87Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 2.84Å; R107-C111 PolarHBondContact O-N 3.36Å
108	L	56.6	Low	56.8	Low	71 Å²	71	91.8 Å²	91.8	37%	0.372	46%	0.461	S	S	.	.	H	α-helix	trans	-69	-39.9	174.6	-80.9	162	0	0	0	111.6	D104 V105 K106 E110 C111 A119	D104-L108 WeakPolarHBondContact O-CB 3.42Å; D104-L108 WeakPolarHBondContact O-CD1 3.48Å; D104-L108 VanDerWaalsContact O-CG 3.25Å; D104-L108 WeakPolarHBondContact O-CG 3.37Å; D104-L108 PolarHBondContact O-N 2.82Å; V105-L108 CarbonylContact O-C 3.57Å; V105-L108 WeakPolarHBondContact O-CA 3.29Å; V105-L108 WeakPolarHBondContact O-CB 3.37Å; V105-L108 PolarHBondContact O-N 3Å; V105-L108 VanDerWaalsContact O-N 3.12Å; K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 3.13Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 3.16Å; L108-C111 WeakPolarHBondContact O-CB 3.47Å; L108-C111 PolarHBondContact O-N 3.02Å; L108-C111 VanDerWaalsContact O-O 3.07Å; L108-A119 HydrophobicContact CD1-CB 4.03Å; L108-A119 HydrophobicContact CD2-CB 3.39Å; L108-A119 HydrophobicContact CG-CB 4.36Å
109	S	54.2	Low	55.5	Low	62 Å²	62	92.1 Å²	92.1	43%	0.434	47%	0.466	S	S	.	.	H	α-helix	trans	-68	-32	175.5	68.3	0	0	0	0	112.3	V105 K106	V105-S109 PolarHBondContact O-N 3.16Å; K106-S109 PolarHBondContact O-N 3.28Å; K106-S109 PolarHBondContact O-OG 3.24Å
110	E	59.4	Low	54.2	Low	137 Å²	137	95 Å²	95	64%	0.64	48%	0.475	S	S	*	.	H	α-helix	trans	-70.9	-29.6	171.3	-71.8	173.2	-174.4	0	0	113	K106 L108 R112	K106-E110 WeakPolarHBondContact CE-OE1 3.28Å; K106-E110 WeakPolarHBondContact O-CG 3.23Å; K106-E110 PolarHBondContact O-N 3.39Å; L108-E110 VanDerWaalsContact C-N 3.31Å; L108-E110 PolarHBondContact O-N 3.16Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.08Å
111	C	54.7	Low	52.8	Low	64 Å²	64	97.6 Å²	97.6	43%	0.432	49%	0.489	S	S	.	.	S	Bend	trans	-70.3	88.7	169	-82.3	0	0	0	0	109	R107 L108 A113	R107-C111 PolarHBondContact O-N 3.36Å; L108-C111 WeakPolarHBondContact O-CB 3.47Å; L108-C111 PolarHBondContact O-N 3.02Å; L108-C111 VanDerWaalsContact O-O 3.07Å; C111-A113 PolarHBondContact O-N 2.98Å
112	R	47	Very low	51	Low	194 Å²	194	100.3 Å²	100.3	73%	0.732	50%	0.499	S	S	*	.			trans	-2.1	118	165.6	-168.7	177.8	177.3	172.9	7.4	113.3	E110 D114 C115	E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 3.08Å; R112-D114 WeakPolarHBondContact CD-OD2 3.44Å; R112-D114 HydrophobicContact CG-CB 4.48Å; R112-D114 WeakPolarHBondContact CG-OD2 3.07Å; R112-D114 IonicContact CZ-OD2 3.71Å; R112-D114 IonicContact NE-OD2 3.21Å; R112-D114 PolarHBondContact NE-OD2 3.04Å; R112-D114 IonicContact NH2-OD2 2.76Å; R112-D114 PolarHBondContact O-N 3.29Å; R112-C115 PolarHBondContact O-N 3.13Å
113	A	49.2	Very low	49.6	Very low	71 Å²	71	102.2 Å²	102.2	59%	0.587	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-35.4	-31.9	-177	0	0	0	0	0	116	C111 C115 M116	C111-A113 PolarHBondContact O-N 2.98Å; A113-C115 PolarHBondContact O-N 2.88Å; A113-M116 HydrophobicContact CB-CE 4.47Å; A113-M116 PolarHBondContact O-N 2.92Å; A113-M116 VanDerWaalsContact O-N 3.11Å
114	D	46.2	Very low	47.9	Very low	119 Å²	119	104.8 Å²	104.8	64%	0.636	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-56	-14.1	173.1	-54.6	-43.9	0	0	0	115.3	R112	R112-D114 WeakPolarHBondContact CD-OD2 3.44Å; R112-D114 HydrophobicContact CG-CB 4.48Å; R112-D114 WeakPolarHBondContact CG-OD2 3.07Å; R112-D114 IonicContact CZ-OD2 3.71Å; R112-D114 IonicContact NE-OD2 3.21Å; R112-D114 PolarHBondContact NE-OD2 3.04Å; R112-D114 IonicContact NH2-OD2 2.76Å; R112-D114 PolarHBondContact O-N 3.29Å
115	C	44.9	Very low	46.8	Very low	62 Å²	62	106 Å²	106	42%	0.419	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-107	-8.4	177.5	-74.1	0	0	0	0	114.6	R112 A113 D117	R112-C115 PolarHBondContact O-N 3.13Å; A113-C115 PolarHBondContact O-N 2.88Å; C115-D117 PolarHBondContact O-N 3.21Å
116	M	41.7	Very low	46.1	Very low	63 Å²	63	111.4 Å²	111.4	31%	0.31	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-76.5	-16.8	-166.2	-68.9	-161.3	-144.9	0	0	114.8	A113 I118 A119	A113-M116 HydrophobicContact CB-CE 4.47Å; A113-M116 PolarHBondContact O-N 2.92Å; A113-M116 VanDerWaalsContact O-N 3.11Å; M116-I118 PolarHBondContact O-N 3.2Å; M116-A119 PolarHBondContact O-N 3.28Å
117	D	42.2	Very low	45.1	Very low	145 Å²	145	112.9 Å²	112.9	78%	0.775	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-56.9	-21.4	176.4	-79.8	-38.1	0	0	0	113.5	C115	C115-D117 PolarHBondContact O-N 3.21Å
118	I	42.9	Very low	44	Very low	103 Å²	103	107.9 Å²	107.9	53%	0.528	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-99.9	-20	-168.8	-60.7	177.4	0	0	0	113.2	M116	M116-I118 PolarHBondContact O-N 3.2Å
119	A	38.6	Very low	43	Very low	26 Å²	26	112.1 Å²	112.1	22%	0.215	58%	0.578	C	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-35.8	-168.7	0	0	0	0	0	114.7	L108 M116 M121 R122	L108-A119 HydrophobicContact CD1-CB 4.03Å; L108-A119 HydrophobicContact CD2-CB 3.39Å; L108-A119 HydrophobicContact CG-CB 4.36Å; M116-A119 PolarHBondContact O-N 3.28Å; A119-M121 VanDerWaalsContact C-N 3.31Å; A119-M121 PolarHBondContact O-N 3.32Å; A119-R122 WeakPolarHBondContact O-CB 3.39Å; A119-R122 PolarHBondContact O-N 2.65Å
120	F	40.6	Very low	42.2	Very low	162 Å²	162	120.5 Å²	120.5	71%	0.711	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-26.2	-170.3	-154.4	-95.9	0	0	0	113	R122	F120-R122 PolarHBondContact O-N 2.72Å
121	M	39.2	Very low	40.8	Very low	154 Å²	154	121.7 Å²	121.7	76%	0.759	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-0.7	174	-94.1	-167.1	-72.9	0	0	114.3	A119 T123	A119-M121 VanDerWaalsContact C-N 3.31Å; A119-M121 PolarHBondContact O-N 3.32Å; M121-T123 WeakPolarHBondContact O-CG2 3.47Å; M121-T123 PolarHBondContact O-N 2.61Å
122	R	33.9	Very low	39.7	Very low	121 Å²	121	124.5 Å²	124.5	46%	0.457	62%	0.621	S	S	.	*	S	Bend	trans	-75.9	60.2	174.5	-148.4	-177.5	-140.5	162.2	-1.2	111.8	A119 F120 Y124 C133 M135	A119-R122 WeakPolarHBondContact O-CB 3.39Å; A119-R122 PolarHBondContact O-N 2.65Å; F120-R122 PolarHBondContact O-N 2.72Å; R122-Y124 PolarHBondContact O-N 3.42Å; R122-C133 PolarHBondContact NE-O 3.42Å; R122-C133 PolarHBondContact NH2-O 3.49Å; R122-C133 VanDerWaalsContact NH2-O 3.07Å; R122-M135 HydrophobicContact CB-CE 3.76Å; R122-M135 HydrophobicContact CB-SD 3.5Å; R122-M135 VanDerWaalsContact CB-SD 3.5Å; R122-M135 WeakPolarHBondContact CD-SD 3.29Å; R122-M135 HydrophobicContact CG-CE 3.71Å; R122-M135 HydrophobicContact CG-CG 4.11Å; R122-M135 HydrophobicContact CG-SD 3.27Å; R122-M135 WeakPolarHBondContact CG-SD 3.41Å; R122-M135 VanDerWaalsContact CZ-CG 3.42Å; R122-M135 PolarHBondContact NE-SD 2.71Å
123	T	35	Very low	38.9	Very low	79 Å²	79	118.2 Å²	118.2	49%	0.485	61%	0.606	S	S	.	*			trans	52.3	72.7	133.2	61.1	0	0	0	0	115.1	M121 D125	M121-T123 WeakPolarHBondContact O-CG2 3.47Å; M121-T123 PolarHBondContact O-N 2.61Å; T123-D125 PolarHBondContact O-N 2.99Å
124	Y	34.1	Very low	38.1	Very low	164 Å²	164	121 Å²	121	64%	0.643	61%	0.609	S	S	*	*			trans	-71.8	87.7	131	-74.2	-82.8	0	0	0	106.4	R122 M126	R122-Y124 PolarHBondContact O-N 3.42Å; Y124-M126 VanDerWaalsContact C-N 3.29Å; Y124-M126 PolarHBondContact O-N 3.03Å; Y124-M126 VanDerWaalsContact O-N 3.11Å
125	D	38.1	Very low	37.6	Very low	95 Å²	95	118 Å²	118	51%	0.508	59%	0.592	S	S	.	*			trans	-63.9	105.8	150.1	-170.8	-88.6	0	0	0	104	T123 H127 G128	T123-D125 PolarHBondContact O-N 2.99Å; D125-H127 PolarHBondContact O-N 3.34Å; D125-H127 WeakPolarHBondContact OD1-CB 3.42Å; D125-H127 IonicContact OD1-CD2 3.97Å; D125-H127 IonicContact OD1-CG 3.45Å; D125-G128 PolarHBondContact O-N 3.22Å; D125-G128 VanDerWaalsContact O-N 3.15Å
126	M	43.5	Very low	36.8	Very low	148 Å²	148	118 Å²	118	73%	0.729	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-5.1	-172.3	-71.4	-93.5	-88.8	0	0	113.8	Y124 G128	Y124-M126 VanDerWaalsContact C-N 3.29Å; Y124-M126 PolarHBondContact O-N 3.03Å; Y124-M126 VanDerWaalsContact O-N 3.11Å; M126-G128 VanDerWaalsContact C-N 3.34Å
127	H	42.1	Very low	36.6	Very low	156 Å²	156	121.3 Å²	121.3	72%	0.722	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	12	177.2	-62	-77.5	0	0	0	114.6	D125 K129	D125-H127 PolarHBondContact O-N 3.34Å; D125-H127 WeakPolarHBondContact OD1-CB 3.42Å; D125-H127 IonicContact OD1-CD2 3.97Å; D125-H127 IonicContact OD1-CG 3.45Å; H127-K129 PolarHBondContact O-N 2.98Å
128	G	39.5	Very low	36.1	Very low	70 Å²	70	125.2 Å²	125.2	72%	0.722	63%	0.63	S	S	*	*			trans	65.6	10.8	171.1	0	0	0	0	0	114.4	D125 M126 R130	D125-G128 PolarHBondContact O-N 3.22Å; D125-G128 VanDerWaalsContact O-N 3.15Å; M126-G128 VanDerWaalsContact C-N 3.34Å; G128-R130 PolarHBondContact O-N 3.2Å
129	K	36.9	Very low	35.6	Very low	159 Å²	159	125.4 Å²	125.4	69%	0.691	64%	0.64	S	S	*	*			trans	-90.7	104.8	178.1	-69.2	-165.8	-179.5	177.7	0	109.6	H127 K131	H127-K129 PolarHBondContact O-N 2.98Å; K129-K131 VanDerWaalsContact C-N 3.29Å; K129-K131 PolarHBondContact O-N 2.84Å
130	R	36.2	Very low	35.7	Very low	239 Å²	239	133 Å²	133	90%	0.902	69%	0.689	S	S	*	*			trans	-55.1	85.7	168.8	-72.9	-177.1	166.9	-168	-2.8	110.7	G128 P132	G128-R130 PolarHBondContact O-N 3.2Å; R130-P132 WeakPolarHBondContact O-CD 3.26Å
131	K	31.2	Very low	35.4	Very low	162 Å²	162	131.5 Å²	131.5	70%	0.704	69%	0.688	S	S	*	*			trans	-88.7	115.8	161.5	-76.1	-174	178.5	175.3	0	107.7	K129 C133	K129-K131 VanDerWaalsContact C-N 3.29Å; K129-K131 PolarHBondContact O-N 2.84Å; K131-C133 VanDerWaalsContact C-N 3.33Å; K131-C133 PolarHBondContact O-N 2.83Å
132	P	31.7	Very low	35.2	Very low	123 Å²	123	130.3 Å²	130.3	80%	0.799	69%	0.685	S	S	*	*			trans	-71	91.5	178.4	27.4	-32	0	0	0	109.6	R130 I134	R130-P132 WeakPolarHBondContact O-CD 3.26Å; P132-I134 PolarHBondContact O-N 3.18Å
133	C	30.1	Very low	35.3	Very low	62 Å²	62	130.8 Å²	130.8	42%	0.419	70%	0.697	S	S	.	*			trans	-75	107	170.2	-65.7	0	0	0	0	108.9	R122 K131 M135	R122-C133 PolarHBondContact NE-O 3.42Å; R122-C133 PolarHBondContact NH2-O 3.49Å; R122-C133 VanDerWaalsContact NH2-O 3.07Å; K131-C133 VanDerWaalsContact C-N 3.33Å; K131-C133 PolarHBondContact O-N 2.83Å; C133-M135 PolarHBondContact O-N 2.83Å
134	I	31.4	Very low	35.3	Very low	128 Å²	128	133.9 Å²	133.9	66%	0.656	71%	0.71	S	S	*	*			trans	-61.3	97.9	170.9	-59.5	162.8	0	0	0	107.2	F13 P132	F13-I134 HydrophobicContact CD1-CD1 4.27Å; F13-I134 HydrophobicContact CE1-CD1 3.57Å; F13-I134 HydrophobicContact CE1-CG1 4.19Å; F13-I134 HydrophobicContact CE1-CG2 4.11Å; F13-I134 HydrophobicContact CZ-CD1 4.34Å; F13-I134 HydrophobicContact CZ-CG2 3.79Å; P132-I134 PolarHBondContact O-N 3.18Å
135	M	35.9	Very low	35.4	Very low	56 Å²	56	132 Å²	132	28%	0.276	71%	0.714	S	S	.	*			trans	-91.8	114.6	170.7	-58.6	-166.5	-35.5	0	0	107.5	R122 C133 V137	R122-M135 HydrophobicContact CB-CE 3.76Å; R122-M135 HydrophobicContact CB-SD 3.5Å; R122-M135 VanDerWaalsContact CB-SD 3.5Å; R122-M135 WeakPolarHBondContact CD-SD 3.29Å; R122-M135 HydrophobicContact CG-CE 3.71Å; R122-M135 HydrophobicContact CG-CG 4.11Å; R122-M135 HydrophobicContact CG-SD 3.27Å; R122-M135 WeakPolarHBondContact CG-SD 3.41Å; R122-M135 VanDerWaalsContact CZ-CG 3.42Å; R122-M135 PolarHBondContact NE-SD 2.71Å; C133-M135 PolarHBondContact O-N 2.83Å; M135-V137 PolarHBondContact O-N 3.04Å; M135-V137 VanDerWaalsContact O-N 3.16Å
136	G	27.7	Very low	35.2	Very low	62 Å²	62	134.5 Å²	134.5	64%	0.639	73%	0.728	S	S	*	*			trans	-61.5	114	165.8	0	0	0	0	0	108.3	R138	G136-R138 PolarHBondContact O-N 3.26Å; G136-R138 VanDerWaalsContact O-N 3.15Å
137	V	37.3	Very low	34.7	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	73%	0.728	S	S	*	*			trans	-71.5	104.5	166.1	-177.5	0	0	0	0	106	M135 S139	M135-V137 PolarHBondContact O-N 3.04Å; M135-V137 VanDerWaalsContact O-N 3.16Å; V137-S139 PolarHBondContact O-N 3.3Å
138	R	31.4	Very low	34.1	Very low	228 Å²	228	131.8 Å²	131.8	86%	0.86	73%	0.728	S	S	*	*			trans	-80.4	100.2	161.4	-100.9	-177.9	156.1	176.1	-6.9	106.7	G136	G136-R138 PolarHBondContact O-N 3.26Å; G136-R138 VanDerWaalsContact O-N 3.15Å
139	S	33.7	Very low	33.6	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	73%	0.729	S	S	*	*			trans	-69.3	142.5	158.3	-163.2	0	0	0	0	107.7	V137	V137-S139 PolarHBondContact O-N 3.3Å
140	C	39.9	Very low	33.3	Very low	185 Å²	185	134.9 Å²	134.9	100%	1.25	73%	0.732	S	S	*	*			trans	-32.2	0	-175.1	-56.6	0	0	0	0	115.7

Retrieved 140 of 140 residues in 133.7 ms (Link to these results)

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