A0A087YPQ9_POEFO Loading...

dCTP pyrophosphatase 1

Hydrolyzes deoxynucleoside triphosphates (dNTPs) to the corresponding nucleoside monophosphates. Has a strong preference for dCTP and its analogs including 5-iodo-dCTP and 5-methyl-dCTP for which it may even have a higher efficiency. May protect DNA or RNA against the incorporation of these genotoxic nucleotide analogs through their catabolism.

AlphaFold DB , UniProt , Accession A0A087YPQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 161 aa.

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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	35.5	Very low	34.5	Very low	164 Å²	164	151.4 Å²	151.4	81%	0.808	83%	0.825	S	S	*	*				0	91.6	0	-175.2	169.9	174.3	0	0	103.5	V3	M1-V3 PolarHBondContact O-N 3.32Å
2	A	31.9	Very low	34.5	Very low	71 Å²	71	149.3 Å²	149.3	59%	0.587	83%	0.825	S	S	*	*			trans	-69.6	128.1	-175.6	0	0	0	0	0	108.7	F4	A2-F4 PolarHBondContact O-N 3.08Å
3	V	40.5	Very low	34.4	Very low	115 Å²	115	147.5 Å²	147.5	70%	0.697	83%	0.829	S	S	*	*			trans	-81.8	101.4	173.1	-177.8	0	0	0	0	106.4	M1 S5 W62	M1-V3 PolarHBondContact O-N 3.32Å; V3-S5 PolarHBondContact O-N 3.38Å; V3-W62 HydrophobicContact CG2-CH2 4.24Å
4	F	35.8	Very low	34.4	Very low	188 Å²	188	144.3 Å²	144.3	83%	0.825	83%	0.83	S	S	*	*			trans	-60.4	118.1	170.9	-81.1	-92	0	0	0	109.9	A2	A2-F4 PolarHBondContact O-N 3.08Å
5	S	36.6	Very low	34.3	Very low	124 Å²	124	140.2 Å²	140.2	87%	0.867	83%	0.832	S	S	*	*			trans	-87.2	106.4	171.2	-153.3	0	0	0	0	109.5	V3	V3-S5 PolarHBondContact O-N 3.38Å
6	N	36.9	Very low	34.1	Very low	158 Å²	158	141.8 Å²	141.8	85%	0.845	84%	0.835	S	S	*	*			trans	-92	112.4	175.5	-110.2	-4.3	0	0	0	109.4
7	G	32.2	Very low	34	Very low	78 Å²	78	138.6 Å²	138.6	80%	0.804	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.9	123	173.7	0	0	0	0	0	112.8
8	C	31.5	Very low	33.9	Very low	135 Å²	135	135.1 Å²	135.1	91%	0.912	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-88.5	119.3	162.5	-76.2	0	0	0	0	109.2
9	R	31.4	Very low	33.9	Very low	248 Å²	248	135.6 Å²	135.6	94%	0.936	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-92.3	127	168.2	-77.7	179.8	175.4	167.7	-0.7	109.3
10	E	33.4	Very low	34	Very low	196 Å²	196	134 Å²	134	92%	0.916	82%	0.823	S	S	*	*			trans	-105	137.7	159.7	-72.2	-172.8	147.1	0	0	109.1
11	E	34.1	Very low	33.9	Very low	188 Å²	188	136.8 Å²	136.8	88%	0.879	83%	0.827	S	S	*	*			trans	-87.8	155.2	175.2	-70.4	-142.1	162.8	0	0	112.3
12	P	34.7	Very low	33.7	Very low	127 Å²	127	133.5 Å²	133.5	83%	0.825	83%	0.826	S	S	*	*			trans	-91.9	149.8	-173.7	36	-32.1	0	0	0	113.5
13	S	32.1	Very low	34	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	83%	0.834	S	S	*	*			trans	-104.7	136	169.7	177.7	0	0	0	0	111
14	A	35.3	Very low	33.6	Very low	103 Å²	103	137.8 Å²	137.8	85%	0.851	84%	0.839	S	S	*	*			trans	-79.7	150.8	-177	0	0	0	0	0	113.7
15	G	32.5	Very low	33.7	Very low	83 Å²	83	139.2 Å²	139.2	86%	0.856	84%	0.839	S	S	*	*			trans	-161.9	133.2	169.7	0	0	0	0	0	111.2
16	D	31.6	Very low	33.8	Very low	165 Å²	165	138.8 Å²	138.8	88%	0.882	84%	0.835	S	S	*	*			trans	-98.6	174.2	-153	-174.2	26.5	0	0	0	115.1
17	A	32.6	Very low	34.1	Very low	89 Å²	89	139.3 Å²	139.3	74%	0.736	84%	0.838	S	S	*	*			trans	88.2	115.8	156.1	0	0	0	0	0	118.9
18	G	31.2	Very low	34.3	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	83%	0.831	S	S	*	*			trans	-100.2	-174.7	-178.7	0	0	0	0	0	115.9
19	V	33.6	Very low	34.7	Very low	145 Å²	145	136.8 Å²	136.8	88%	0.879	83%	0.825	S	S	*	*			trans	-154.6	137.5	157.5	-168.3	0	0	0	0	108.5
20	S	36	Very low	35.3	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	82%	0.821	S	S	*	*			trans	-69.5	147.2	172.9	57	0	0	0	0	113.3
21	E	32.1	Very low	36	Very low	193 Å²	193	124.5 Å²	124.5	90%	0.902	81%	0.811	S	S	*	*			trans	-163.8	125	143.3	-113.3	167.6	-162.7	0	0	114.1
22	A	32.7	Very low	36.6	Very low	95 Å²	95	120.1 Å²	120.1	79%	0.785	81%	0.806	S	S	*	*			trans	45.6	114.9	145.3	0	0	0	0	0	122
23	E	36.8	Very low	37.4	Very low	161 Å²	161	120.1 Å²	120.1	75%	0.752	80%	0.804	S	S	*	*			trans	-52.9	131.6	159.4	-67.5	174.8	105.4	0	0	112.8	R25	E23-R25 IonicContact OE1-CZ 3.57Å; E23-R25 IonicContact OE1-NE 3.72Å; E23-R25 IonicContact OE1-NH2 2.81Å; E23-R25 PolarHBondContact OE1-NH2 2.78Å
24	S	33.1	Very low	38.4	Very low	115 Å²	115	118.6 Å²	118.6	80%	0.804	79%	0.793	S	S	*	*			trans	-129.4	106.4	150.5	64.8	0	0	0	0	109	S26	S24-S26 PolarHBondContact O-N 3.01Å; S24-S26 VanDerWaalsContact O-N 3.08Å
25	R	37.8	Very low	39.7	Very low	219 Å²	219	119.7 Å²	119.7	83%	0.826	79%	0.792	S	S	*	*			trans	-73.4	96.2	175.5	-68.8	179.2	-176	-178.9	1.7	108.5	E23	E23-R25 IonicContact OE1-CZ 3.57Å; E23-R25 IonicContact OE1-NE 3.72Å; E23-R25 IonicContact OE1-NH2 2.81Å; E23-R25 PolarHBondContact OE1-NH2 2.78Å
26	S	38.6	Very low	41.5	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	79%	0.792	S	S	*	*			trans	-83.7	109.3	159.8	76.5	0	0	0	0	108.2	S24 G28	S24-S26 PolarHBondContact O-N 3.01Å; S24-S26 VanDerWaalsContact O-N 3.08Å; S26-G28 PolarHBondContact O-N 3.06Å
27	N	42.4	Very low	44.3	Very low	170 Å²	170	125.8 Å²	125.8	91%	0.909	79%	0.79	S	S	*	*			trans	-75.4	76.2	175	-154.6	23	0	0	0	107.7	A29	N27-A29 PolarHBondContact O-N 2.91Å
28	G	36.8	Very low	47.2	Very low	62 Å²	62	129.1 Å²	129.1	64%	0.639	79%	0.788	S	S	*	*			trans	-76.9	104.7	171.9	0	0	0	0	0	108.6	S26 A30	S26-G28 PolarHBondContact O-N 3.06Å; G28-A30 PolarHBondContact O-N 2.78Å
29	A	41.1	Very low	50.3	Low	97 Å²	97	130.9 Å²	130.9	80%	0.802	78%	0.784	S	S	*	*			trans	-47.9	115.9	168.9	0	0	0	0	0	108.5	N27 A31	N27-A29 PolarHBondContact O-N 2.91Å; A29-A31 VanDerWaalsContact C-N 3.27Å; A29-A31 PolarHBondContact O-N 2.96Å
30	A	43.7	Very low	53.3	Low	103 Å²	103	132.4 Å²	132.4	85%	0.851	78%	0.779	S	S	*	*			trans	-60.1	94.8	174	0	0	0	0	0	107.5	G28 A32	G28-A30 PolarHBondContact O-N 2.78Å; A30-A32 PolarHBondContact O-N 2.93Å
31	A	46.4	Very low	56.3	Low	84 Å²	84	132.1 Å²	132.1	69%	0.694	78%	0.777	S	S	*	*			trans	-55.3	116.7	164.5	0	0	0	0	0	105.5	A29 V33	A29-A31 VanDerWaalsContact C-N 3.27Å; A29-A31 PolarHBondContact O-N 2.96Å; A31-V33 VanDerWaalsContact C-N 3.3Å; A31-V33 PolarHBondContact O-N 3.28Å
32	A	48	Very low	59.3	Low	95 Å²	95	129.1 Å²	129.1	79%	0.785	77%	0.774	S	S	*	*			trans	-57.6	98.7	175.5	0	0	0	0	0	107.8	A30 S34	A30-A32 PolarHBondContact O-N 2.93Å; A32-S34 PolarHBondContact O-N 3.25Å
33	V	50.2	Low	62.3	Low	127 Å²	127	131.7 Å²	131.7	77%	0.77	77%	0.77	S	S	*	*			trans	-65.9	103.7	174.2	-179.2	0	0	0	0	105.2	A31	A31-V33 VanDerWaalsContact C-N 3.3Å; A31-V33 PolarHBondContact O-N 3.28Å
34	S	54.5	Low	65.2	Low	94 Å²	94	127.8 Å²	127.8	66%	0.657	76%	0.759	S	S	*	*			trans	-57.1	129.3	167.6	-63.4	0	0	0	0	106.8	A32 Q36	A32-S34 PolarHBondContact O-N 3.25Å; S34-Q36 PolarHBondContact O-N 2.67Å
35	P	61.4	Low	68.2	Low	126 Å²	126	124.7 Å²	124.7	82%	0.818	74%	0.737	S	S	*	*			trans	-57.8	114.5	-177.9	21	-30.1	0	0	0	108	K37	P35-K37 PolarHBondContact O-N 3.27Å
36	Q	71.8	Confident	71	Confident	185 Å²	185	117.1 Å²	117.1	86%	0.864	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-61	128.2	175	-77.8	-159.8	3.2	0	0	107.8	S34 F38	S34-Q36 PolarHBondContact O-N 2.67Å; Q36-F38 PolarHBondContact O-N 3.36Å
37	K	89.3	Confident	73.9	Confident	190 Å²	190	115.6 Å²	115.6	83%	0.826	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.3	176.4	-175.6	177.7	-179.5	-179.8	0	108.5	P35	P35-K37 PolarHBondContact O-N 3.27Å
38	F	93.4	Very high	76.5	Confident	160 Å²	160	109.4 Å²	109.4	70%	0.702	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.1	136.8	177.2	177.8	-96.2	0	0	0	111.6	Q36 F40	Q36-F38 PolarHBondContact O-N 3.36Å; F38-F40 AromaticContact CE1-CD1 3.64Å; F38-F40 HydrophobicContact CE1-CD1 3.64Å; F38-F40 AromaticContact CE1-CE1 3.38Å; F38-F40 HydrophobicContact CE1-CE1 3.38Å; F38-F40 HydrophobicContact CE1-CG 4.48Å; F38-F40 HydrophobicContact CE1-CZ 4.03Å; F38-F40 AromaticContact CZ-CD1 3.67Å; F38-F40 HydrophobicContact CZ-CD1 3.67Å; F38-F40 AromaticContact CZ-CE1 3.54Å; F38-F40 HydrophobicContact CZ-CE1 3.54Å
39	T	96.3	Very high	79.4	Confident	111 Å²	111	107.6 Å²	107.6	68%	0.681	63%	0.634	S	S	*	*			trans	-141.7	145.1	175.2	57.8	0	0	0	0	109.7
40	F	97.1	Very high	82.1	Confident	177 Å²	177	106 Å²	106	78%	0.776	61%	0.607	S	S	*	*			trans	-74.2	156.1	168.8	-63	-46.9	0	0	0	111.7	F38	F38-F40 AromaticContact CE1-CD1 3.64Å; F38-F40 HydrophobicContact CE1-CD1 3.64Å; F38-F40 AromaticContact CE1-CE1 3.38Å; F38-F40 HydrophobicContact CE1-CE1 3.38Å; F38-F40 HydrophobicContact CE1-CG 4.48Å; F38-F40 HydrophobicContact CE1-CZ 4.03Å; F38-F40 AromaticContact CZ-CD1 3.67Å; F38-F40 HydrophobicContact CZ-CD1 3.67Å; F38-F40 AromaticContact CZ-CE1 3.54Å; F38-F40 HydrophobicContact CZ-CE1 3.54Å
41	S	97.9	Very high	84.7	Confident	97 Å²	97	106 Å²	106	68%	0.678	59%	0.586	S	S	*	*			trans	-58	148.4	167.1	-60.6	0	0	0	0	110.8	E43	S41-E43 WeakPolarHBondContact CB-O 3.47Å; S41-E43 PolarHBondContact O-N 3.11Å
42	P	95.1	Very high	87	Confident	130 Å²	130	107 Å²	107	84%	0.844	58%	0.577	S	S	*	*	S	Bend	trans	-69.6	-20.4	178.7	29	-35.4	0	0	0	113.3
43	E	96.1	Very high	89.2	Confident	149 Å²	149	104.1 Å²	104.1	70%	0.696	55%	0.547	S	S	*	.			trans	-134	154.1	179.7	-70.7	178.8	-177	0	0	110.1	S41	S41-E43 WeakPolarHBondContact CB-O 3.47Å; S41-E43 PolarHBondContact O-N 3.11Å
44	P	97.3	Very high	91.1	Very high	79 Å²	79	98.8 Å²	98.8	51%	0.513	52%	0.516	S	S	.	.	S	Bend	cis	-72.8	148.5	-3.7	30.4	-35.2	0	0	0	112.9	D48 I49 M52	P44-D48 HydrophobicContact CB-CB 3.79Å; P44-I49 HydrophobicContact CB-CG1 4.16Å; P44-I49 HydrophobicContact CG-CD1 4.36Å; P44-I49 HydrophobicContact CG-CG1 3.97Å; P44-M52 HydrophobicContact CB-CE 3.89Å; P44-M52 HydrophobicContact CG-CE 4.13Å
45	S	97.6	Very high	92.9	Very high	50 Å²	50	98.9 Å²	98.9	35%	0.35	51%	0.509	S	S	.	.			trans	-73.7	165.9	167.8	76.2	0	0	0	0	111.3	E47 D48 I49	S45-E47 PolarHBondContact O-N 3.31Å; S45-E47 PolarHBondContact OG-N 3.42Å; S45-D48 WeakPolarHBondContact CA-OD2 3.46Å; S45-D48 WeakPolarHBondContact CB-OD2 3.46Å; S45-D48 PolarHBondContact N-OD2 3.08Å; S45-D48 WeakPolarHBondContact O-CB 3.33Å; S45-D48 PolarHBondContact O-N 3.03Å; S45-D48 PolarHBondContact OG-N 2.76Å; S45-D48 PolarHBondContact OG-OD1 2.99Å; S45-D48 PolarHBondContact OG-OD2 3.44Å; S45-I49 WeakPolarHBondContact O-CG1 3.41Å; S45-I49 PolarHBondContact O-N 3.21Å
46	M	96.9	Very high	94.3	Very high	60 Å²	60	97 Å²	97	30%	0.296	49%	0.488	S	S	.	.	H	α-helix	trans	-59.5	-33.2	176.6	-173.1	170.2	-76.2	0	0	112.9	R50 V119 L129 P130	M46-R50 PolarHBondContact O-N 2.95Å; M46-V119 HydrophobicContact CG-CG2 3.89Å; M46-L129 HydrophobicContact CE-CD2 3.9Å; M46-L129 HydrophobicContact CE-CG 4.14Å; M46-L129 HydrophobicContact SD-CB 3.68Å; M46-L129 HydrophobicContact SD-CD2 3.58Å; M46-L129 VanDerWaalsContact SD-CD2 3.58Å; M46-L129 HydrophobicContact SD-CG 3.58Å; M46-L129 VanDerWaalsContact SD-CG 3.58Å; M46-P130 HydrophobicContact CB-CG 4.19Å; M46-P130 HydrophobicContact CG-CG 4.26Å; M46-P130 VanDerWaalsContact SD-CD 3.51Å; M46-P130 HydrophobicContact SD-CG 3.64Å
47	E	98.2	Very high	95.1	Very high	81 Å²	81	88.2 Å²	88.2	38%	0.379	45%	0.448	S	S	.	.	H	α-helix	trans	-76.2	-30.5	176.3	168.3	52	-153.6	0	0	111.5	S45 R50 R51	S45-E47 PolarHBondContact O-N 3.31Å; S45-E47 PolarHBondContact OG-N 3.42Å; E47-R50 PolarHBondContact O-N 2.92Å; E47-R50 IonicContact OE1-CZ 3.98Å; E47-R50 IonicContact OE1-NE 3.24Å; E47-R50 IonicContact OE1-NH2 3.03Å; E47-R50 PolarHBondContact OE1-NH2 2.74Å; E47-R50 IonicContact OE2-CZ 2.59Å; E47-R50 IonicContact OE2-NE 3.72Å; E47-R50 PolarHBondContact OE2-NE 3.34Å; E47-R50 IonicContact OE2-NH2 3.99Å; E47-R51 PolarHBondContact O-N 2.93Å; E47-R51 WeakPolarHBondContact OE1-CG 3.44Å; E47-R51 IonicContact OE1-CZ 3.99Å; E47-R51 IonicContact OE1-NH1 3.62Å; E47-R51 PolarHBondContact OE1-NH1 2.66Å
48	D	98.1	Very high	95.1	Very high	41 Å²	41	83.6 Å²	83.6	22%	0.219	43%	0.432	C	S	.	.	H	α-helix	trans	-65.3	-43.5	170	-54.6	-40.1	0	0	0	110.7	P44 S45 R50 R51 M52	P44-D48 HydrophobicContact CB-CB 3.79Å; S45-D48 WeakPolarHBondContact CA-OD2 3.46Å; S45-D48 WeakPolarHBondContact CB-OD2 3.46Å; S45-D48 PolarHBondContact N-OD2 3.08Å; S45-D48 WeakPolarHBondContact O-CB 3.33Å; S45-D48 PolarHBondContact O-N 3.03Å; S45-D48 PolarHBondContact OG-N 2.76Å; S45-D48 PolarHBondContact OG-OD1 2.99Å; S45-D48 PolarHBondContact OG-OD2 3.44Å; D48-R50 PolarHBondContact O-N 3.4Å; D48-R51 PolarHBondContact O-N 2.86Å; D48-R51 IonicContact OD1-CZ 3.38Å; D48-R51 IonicContact OD1-NH1 3.68Å; D48-R51 IonicContact OD1-NH2 2.67Å; D48-R51 PolarHBondContact OD1-NH2 3.09Å; D48-M52 WeakPolarHBondContact O-CG 3.41Å; D48-M52 PolarHBondContact O-N 3.19Å
49	I	97.8	Very high	95	Very high	23 Å²	23	83 Å²	83	12%	0.118	43%	0.432	C	S	.	.	H	α-helix	trans	-59.5	-47	175.1	-64.2	168.2	0	0	0	110.8	P44 S45 R51 M52 Q53 L115 V119	P44-I49 HydrophobicContact CB-CG1 4.16Å; P44-I49 HydrophobicContact CG-CD1 4.36Å; P44-I49 HydrophobicContact CG-CG1 3.97Å; S45-I49 WeakPolarHBondContact O-CG1 3.41Å; S45-I49 PolarHBondContact O-N 3.21Å; I49-R51 VanDerWaalsContact C-N 3.33Å; I49-R51 PolarHBondContact O-N 2.67Å; I49-M52 HydrophobicContact CB-CE 4.47Å; I49-M52 HydrophobicContact CG1-CE 4.11Å; I49-M52 PolarHBondContact O-N 3.32Å; I49-Q53 HydrophobicContact CG2-CG 4.49Å; I49-Q53 WeakPolarHBondContact O-CG 3.38Å; I49-Q53 PolarHBondContact O-N 3.31Å; I49-L115 HydrophobicContact CD1-CD2 3.9Å; I49-V119 HydrophobicContact CG2-CB 4.38Å; I49-V119 HydrophobicContact CG2-CG1 4.25Å; I49-V119 HydrophobicContact CG2-CG2 4.31Å
50	R	97.5	Very high	94.7	Very high	63 Å²	63	82.2 Å²	82.2	24%	0.238	42%	0.416	C	S	.	.	H	α-helix	trans	-57.2	-45.7	176.8	-169.8	-152.7	60.1	70.5	4.3	111.4	M46 E47 D48 Q53 A54 V119 E123	M46-R50 PolarHBondContact O-N 2.95Å; E47-R50 PolarHBondContact O-N 2.92Å; E47-R50 IonicContact OE1-CZ 3.98Å; E47-R50 IonicContact OE1-NE 3.24Å; E47-R50 IonicContact OE1-NH2 3.03Å; E47-R50 PolarHBondContact OE1-NH2 2.74Å; E47-R50 IonicContact OE2-CZ 2.59Å; E47-R50 IonicContact OE2-NE 3.72Å; E47-R50 PolarHBondContact OE2-NE 3.34Å; E47-R50 IonicContact OE2-NH2 3.99Å; D48-R50 PolarHBondContact O-N 3.4Å; R50-Q53 PolarHBondContact O-N 3.02Å; R50-A54 WeakPolarHBondContact O-CB 3.36Å; R50-A54 PolarHBondContact O-N 3.14Å; R50-V119 HydrophobicContact CB-CG1 3.71Å; R50-V119 HydrophobicContact CG-CG1 4.21Å; R50-E123 HydrophobicContact CG-CB 4.14Å; R50-E123 HydrophobicContact CG-CG 4.32Å; R50-E123 IonicContact CZ-OE1 3.53Å; R50-E123 IonicContact NH1-OE1 3.65Å; R50-E123 PolarHBondContact NH1-OE1 2.79Å
51	R	97.6	Very high	94.2	Very high	105 Å²	105	78.5 Å²	78.5	40%	0.396	40%	0.404	S	S	.	.	H	α-helix	trans	-62.5	-49.8	177.7	-76.7	-164.8	-54.3	-93.9	2.3	112.6	E47 D48 I49 Q53 A54 D55	E47-R51 PolarHBondContact O-N 2.93Å; E47-R51 WeakPolarHBondContact OE1-CG 3.44Å; E47-R51 IonicContact OE1-CZ 3.99Å; E47-R51 IonicContact OE1-NH1 3.62Å; E47-R51 PolarHBondContact OE1-NH1 2.66Å; D48-R51 PolarHBondContact O-N 2.86Å; D48-R51 IonicContact OD1-CZ 3.38Å; D48-R51 IonicContact OD1-NH1 3.68Å; D48-R51 IonicContact OD1-NH2 2.67Å; D48-R51 PolarHBondContact OD1-NH2 3.09Å; I49-R51 VanDerWaalsContact C-N 3.33Å; I49-R51 PolarHBondContact O-N 2.67Å; R51-Q53 PolarHBondContact O-N 2.74Å; R51-A54 PolarHBondContact O-N 2.64Å; R51-A54 VanDerWaalsContact O-N 3.16Å; R51-D55 VanDerWaalsContact O-CG 3.25Å; R51-D55 PolarHBondContact O-N 3.27Å
52	M	95.9	Very high	93.7	Very high	103 Å²	103	76.5 Å²	76.5	51%	0.507	38%	0.382	S	S	.	.	H	α-helix	trans	-56.2	-39.4	179.1	-70.4	-176	-66.2	0	0	111.7	P44 D48 I49 F56	P44-M52 HydrophobicContact CB-CE 3.89Å; P44-M52 HydrophobicContact CG-CE 4.13Å; D48-M52 WeakPolarHBondContact O-CG 3.41Å; D48-M52 PolarHBondContact O-N 3.19Å; I49-M52 HydrophobicContact CB-CE 4.47Å; I49-M52 HydrophobicContact CG1-CE 4.11Å; I49-M52 PolarHBondContact O-N 3.32Å; M52-F56 VanDerWaalsContact O-CB 3.3Å; M52-F56 WeakPolarHBondContact O-CB 3.25Å; M52-F56 PolarHBondContact O-N 3.09Å
53	Q	92.6	Very high	93	Very high	36 Å²	36	72.9 Å²	72.9	17%	0.168	36%	0.355	C	S	.	.	H	α-helix	trans	-72.4	-40.9	177.8	-71.4	-63	-18.2	0	0	113.5	I49 R50 R51 F56 T57 I116	I49-Q53 HydrophobicContact CG2-CG 4.49Å; I49-Q53 WeakPolarHBondContact O-CG 3.38Å; I49-Q53 PolarHBondContact O-N 3.31Å; R50-Q53 PolarHBondContact O-N 3.02Å; R51-Q53 PolarHBondContact O-N 2.74Å; Q53-F56 PolarHBondContact O-N 3.43Å; Q53-T57 VanDerWaalsContact O-CB 3.31Å; Q53-T57 WeakPolarHBondContact O-CB 3.43Å; Q53-T57 PolarHBondContact O-N 2.98Å; Q53-T57 PolarHBondContact O-OG1 2.99Å; Q53-I116 VanDerWaalsContact CD-CG2 3.42Å; Q53-I116 HydrophobicContact CG-CG2 4.03Å
54	A	90.6	Very high	92.4	Very high	14 Å²	14	71.3 Å²	71.3	12%	0.116	35%	0.346	C	S	.	.	H	α-helix	trans	-60.7	-47.5	175.2	0	0	0	0	0	110.6	R50 R51 F56 T57 D58	R50-A54 WeakPolarHBondContact O-CB 3.36Å; R50-A54 PolarHBondContact O-N 3.14Å; R51-A54 PolarHBondContact O-N 2.64Å; R51-A54 VanDerWaalsContact O-N 3.16Å; A54-F56 PolarHBondContact O-N 2.99Å; A54-T57 PolarHBondContact O-N 3.11Å; A54-D58 WeakPolarHBondContact O-CB 3.31Å; A54-D58 VanDerWaalsContact O-CG 3.25Å; A54-D58 PolarHBondContact O-N 3.5Å
55	D	93.1	Very high	91.6	Very high	96 Å²	96	72.2 Å²	72.2	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-47.3	177.7	-64.9	-18.5	0	0	0	110.8	R51 T57 D58 E59	R51-D55 VanDerWaalsContact O-CG 3.25Å; R51-D55 PolarHBondContact O-N 3.27Å; D55-T57 VanDerWaalsContact C-N 3.31Å; D55-T57 PolarHBondContact O-N 2.92Å; D55-D58 PolarHBondContact O-N 3.24Å; D55-E59 VanDerWaalsContact O-CG 3.29Å; D55-E59 WeakPolarHBondContact O-CG 3.47Å; D55-E59 PolarHBondContact O-N 2.99Å; D55-E59 VanDerWaalsContact O-N 3.1Å
56	F	89.8	Confident	91.1	Very high	86 Å²	86	71.3 Å²	71.3	38%	0.377	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-40.6	177.2	180	-92.1	0	0	0	113	M52 Q53 A54 R60 W62	M52-F56 VanDerWaalsContact O-CB 3.3Å; M52-F56 WeakPolarHBondContact O-CB 3.25Å; M52-F56 PolarHBondContact O-N 3.09Å; Q53-F56 PolarHBondContact O-N 3.43Å; A54-F56 PolarHBondContact O-N 2.99Å; F56-R60 VanDerWaalsContact CD2-CZ 3.46Å; F56-R60 WeakPolarHBondContact O-CD 3.19Å; F56-R60 PolarHBondContact O-NH1 3.03Å; F56-W62 HydrophobicContact CE1-CE3 4.41Å; F56-W62 HydrophobicContact CE1-CZ3 4.07Å
57	T	88.6	Confident	90.9	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-74.9	-40	-178.2	-60.4	0	0	0	0	111.9	Q53 A54 D55 R60 D61 W62 N63 H66	Q53-T57 VanDerWaalsContact O-CB 3.31Å; Q53-T57 WeakPolarHBondContact O-CB 3.43Å; Q53-T57 PolarHBondContact O-N 2.98Å; Q53-T57 PolarHBondContact O-OG1 2.99Å; A54-T57 PolarHBondContact O-N 3.11Å; D55-T57 VanDerWaalsContact C-N 3.31Å; D55-T57 PolarHBondContact O-N 2.92Å; T57-R60 PolarHBondContact O-N 3.19Å; T57-D61 PolarHBondContact O-N 2.95Å; T57-W62 HydrophobicContact CG2-CB 3.85Å; T57-W62 PolarHBondContact O-N 3.49Å; T57-W62 VanDerWaalsContact O-N 3.09Å; T57-N63 HydrophobicContact CG2-CB 4.46Å; T57-N63 WeakPolarHBondContact CG2-OD1 3.2Å; T57-H66 WeakPolarHBondContact CG2-ND1 3.33Å
58	D	88.8	Confident	90.8	Very high	94 Å²	94	72 Å²	72	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-64.9	-44.8	179.8	-78.2	2	0	0	0	111.1	A54 D55 R60 D61 N63	A54-D58 WeakPolarHBondContact O-CB 3.31Å; A54-D58 VanDerWaalsContact O-CG 3.25Å; A54-D58 PolarHBondContact O-N 3.5Å; D55-D58 PolarHBondContact O-N 3.24Å; D58-R60 PolarHBondContact O-N 2.59Å; D58-D61 PolarHBondContact O-N 3.49Å; D58-D61 VanDerWaalsContact O-N 3.15Å; D58-N63 PolarHBondContact OD1-ND2 3.05Å
59	E	91.3	Very high	90.8	Very high	147 Å²	147	78.8 Å²	78.8	69%	0.687	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.5	175.3	-76.6	175.9	174.7	0	0	113.5	D55	D55-E59 VanDerWaalsContact O-CG 3.29Å; D55-E59 WeakPolarHBondContact O-CG 3.47Å; D55-E59 PolarHBondContact O-N 2.99Å; D55-E59 VanDerWaalsContact O-N 3.1Å
60	R	90	Very high	90.7	Very high	95 Å²	95	80.8 Å²	80.8	36%	0.358	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-1.5	-173.8	-69.4	164.1	-176.8	64.8	5.8	113.3	F56 T57 D58 W62	F56-R60 VanDerWaalsContact CD2-CZ 3.46Å; F56-R60 WeakPolarHBondContact O-CD 3.19Å; F56-R60 PolarHBondContact O-NH1 3.03Å; T57-R60 PolarHBondContact O-N 3.19Å; D58-R60 PolarHBondContact O-N 2.59Å; R60-W62 HydrophobicContact CB-CB 4.34Å; R60-W62 HydrophobicContact CB-CD2 3.86Å; R60-W62 HydrophobicContact CB-CG 3.7Å; R60-W62 PolarHBondContact O-N 2.94Å
61	D	86.8	Confident	90.6	Very high	98 Å²	98	77.9 Å²	77.9	52%	0.524	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	39	-171.4	-176.2	46.8	0	0	0	112	T57 D58 K64	T57-D61 PolarHBondContact O-N 2.95Å; D58-D61 PolarHBondContact O-N 3.49Å; D58-D61 VanDerWaalsContact O-N 3.15Å; D61-K64 VanDerWaalsContact O-CE 3.26Å; D61-K64 WeakPolarHBondContact O-CE 3.4Å; D61-K64 PolarHBondContact O-NZ 3.26Å; D61-K64 IonicContact OD2-NZ 2.71Å; D61-K64 PolarHBondContact OD2-NZ 2.84Å
62	W	88.7	Confident	90.6	Very high	56 Å²	56	76.6 Å²	76.6	21%	0.212	36%	0.363	C	S	.	.			trans	-90.6	-8.1	-176.4	-79.1	10.4	0	0	0	113.8	V3 F56 T57 R60 K64 F65 H66	V3-W62 HydrophobicContact CG2-CH2 4.24Å; F56-W62 HydrophobicContact CE1-CE3 4.41Å; F56-W62 HydrophobicContact CE1-CZ3 4.07Å; T57-W62 HydrophobicContact CG2-CB 3.85Å; T57-W62 PolarHBondContact O-N 3.49Å; T57-W62 VanDerWaalsContact O-N 3.09Å; R60-W62 HydrophobicContact CB-CB 4.34Å; R60-W62 HydrophobicContact CB-CD2 3.86Å; R60-W62 HydrophobicContact CB-CG 3.7Å; R60-W62 PolarHBondContact O-N 2.94Å; W62-K64 PolarHBondContact O-N 3.04Å; W62-F65 PolarHBondContact O-N 3.03Å; W62-H66 PolarHBondContact O-CD2 3.47Å; W62-H66 PolarHBondContact O-N 3.14Å
63	N	80.6	Confident	90.7	Very high	54 Å²	54	77 Å²	77	29%	0.289	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-31	177.6	-83.7	-46.5	0	0	0	113.9	T57 D58 F65 H66 K124	T57-N63 HydrophobicContact CG2-CB 4.46Å; T57-N63 WeakPolarHBondContact CG2-OD1 3.2Å; D58-N63 PolarHBondContact OD1-ND2 3.05Å; N63-F65 PolarHBondContact O-N 3.36Å; N63-H66 PolarHBondContact O-N 3.5Å; N63-K124 PolarHBondContact OD1-NZ 2.91Å
64	K	82.5	Confident	90.9	Very high	115 Å²	115	76.5 Å²	76.5	50%	0.5	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.8	176.2	65.3	-164.7	170.1	-151.9	0	113.8	D61 W62	D61-K64 VanDerWaalsContact O-CE 3.26Å; D61-K64 WeakPolarHBondContact O-CE 3.4Å; D61-K64 PolarHBondContact O-NZ 3.26Å; D61-K64 IonicContact OD2-NZ 2.71Å; D61-K64 PolarHBondContact OD2-NZ 2.84Å; W62-K64 PolarHBondContact O-N 3.04Å
65	F	81.6	Confident	91.2	Very high	99 Å²	99	77.4 Å²	77.4	43%	0.434	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-18.6	179.6	-56	-62.4	0	0	0	112.8	W62 N63 Q67 N70	W62-F65 PolarHBondContact O-N 3.03Å; N63-F65 PolarHBondContact O-N 3.36Å; F65-Q67 PolarHBondContact O-N 2.91Å; F65-N70 WeakPolarHBondContact O-CB 3.45Å; F65-N70 PolarHBondContact O-ND2 3.18Å
66	H	85.5	Confident	91.5	Very high	30 Å²	30	77 Å²	77	14%	0.139	37%	0.371	C	S	.	.			trans	-88.5	55.2	-174	-66	-161.4	0	0	0	111.6	T57 W62 N63 L71 E120 K124	T57-H66 WeakPolarHBondContact CG2-ND1 3.33Å; W62-H66 PolarHBondContact O-CD2 3.47Å; W62-H66 PolarHBondContact O-N 3.14Å; N63-H66 PolarHBondContact O-N 3.5Å; H66-L71 HydrophobicContact CB-CD1 4.33Å; H66-L71 HydrophobicContact CB-CD2 4.14Å; H66-L71 HydrophobicContact CB-CG 4.37Å; H66-E120 VanDerWaalsContact CB-OE1 3.28Å; H66-E120 WeakPolarHBondContact CB-OE1 3.06Å; H66-E120 IonicContact CE1-OE1 3.57Å; H66-E120 IonicContact CE1-OE2 2.84Å; H66-E120 IonicContact CG-OE1 2.74Å; H66-E120 VanDerWaalsContact CG-OE1 3.24Å; H66-E120 VanDerWaalsContact ND1-CD 3.27Å; H66-E120 IonicContact ND1-OE1 3.27Å; H66-E120 PolarHBondContact ND1-OE1 3.08Å; H66-E120 IonicContact ND1-OE2 3.61Å; H66-E120 PolarHBondContact ND1-OE2 3.43Å; H66-K124 WeakPolarHBondContact O-CE 3.45Å
67	Q	93	Very high	91.9	Very high	106 Å²	106	74.6 Å²	74.6	50%	0.495	37%	0.371	S	S	.	.			trans	-79	147.6	169.8	-61.3	-59.3	-53.3	0	0	109.9	F65 R69 N70 L71	F65-Q67 PolarHBondContact O-N 2.91Å; Q67-R69 VanDerWaalsContact C-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.2Å; Q67-R69 VanDerWaalsContact O-N 3.08Å; Q67-N70 WeakPolarHBondContact O-CB 3.43Å; Q67-N70 PolarHBondContact O-N 3.29Å; Q67-L71 PolarHBondContact O-N 3.1Å; Q67-L71 VanDerWaalsContact O-N 3.11Å
68	P	96.4	Very high	92.4	Very high	51 Å²	51	75.4 Å²	75.4	33%	0.331	38%	0.375	S	S	.	.	H	α-helix	trans	-50.8	-41.2	-174.8	-30.9	35.2	0	0	0	114.9	N70 L71 L72 L121 K124	P68-N70 VanDerWaalsContact C-N 3.33Å; P68-N70 PolarHBondContact O-N 3.39Å; P68-L71 PolarHBondContact O-N 3.04Å; P68-L72 WeakPolarHBondContact O-CB 3.5Å; P68-L72 PolarHBondContact O-N 2.89Å; P68-L121 HydrophobicContact CB-CD1 3.92Å; P68-L121 WeakPolarHBondContact O-CD1 3.44Å; P68-K124 HydrophobicContact CG-CB 4.16Å
69	R	97.3	Very high	92.8	Very high	182 Å²	182	74.5 Å²	74.5	69%	0.687	37%	0.372	S	S	*	.	H	α-helix	trans	-62.5	-39.9	176.9	-175.2	-173.1	68.1	-168.3	-0.3	112.4	Q67 L73	Q67-R69 VanDerWaalsContact C-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.2Å; Q67-R69 VanDerWaalsContact O-N 3.08Å; R69-L73 HydrophobicContact CG-CD1 4.33Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 3.39Å; R69-L73 VanDerWaalsContact O-N 3.07Å
70	N	95.6	Very high	93.2	Very high	65 Å²	65	69 Å²	69	35%	0.348	36%	0.355	S	S	.	.	H	α-helix	trans	-71.5	-41.3	-177.2	-60.9	-10.7	0	0	0	110.5	F65 Q67 P68 L73 A74	F65-N70 WeakPolarHBondContact O-CB 3.45Å; F65-N70 PolarHBondContact O-ND2 3.18Å; Q67-N70 WeakPolarHBondContact O-CB 3.43Å; Q67-N70 PolarHBondContact O-N 3.29Å; P68-N70 VanDerWaalsContact C-N 3.33Å; P68-N70 PolarHBondContact O-N 3.39Å; N70-L73 PolarHBondContact O-N 3.32Å; N70-A74 WeakPolarHBondContact O-CB 3.35Å; N70-A74 PolarHBondContact O-N 3.07Å
71	L	95.8	Very high	93.6	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-42.3	174.7	-65.9	172.9	0	0	0	111.6	H66 Q67 P68 L73 A74 M75 Y117 E120 L121 K124	H66-L71 HydrophobicContact CB-CD1 4.33Å; H66-L71 HydrophobicContact CB-CD2 4.14Å; H66-L71 HydrophobicContact CB-CG 4.37Å; Q67-L71 PolarHBondContact O-N 3.1Å; Q67-L71 VanDerWaalsContact O-N 3.11Å; P68-L71 PolarHBondContact O-N 3.04Å; L71-L73 PolarHBondContact O-N 3.35Å; L71-A74 PolarHBondContact O-N 3.3Å; L71-M75 WeakPolarHBondContact O-CB 3.41Å; L71-M75 PolarHBondContact O-N 3.33Å; L71-Y117 HydrophobicContact CD2-CD1 3.96Å; L71-Y117 HydrophobicContact CD2-CE1 4.37Å; L71-E120 HydrophobicContact CD1-CB 4.36Å; L71-E120 HydrophobicContact CD1-CG 4.2Å; L71-E120 HydrophobicContact CD2-CB 4.47Å; L71-E120 HydrophobicContact CD2-CG 4.44Å; L71-E120 VanDerWaalsContact CD2-OE2 3.26Å; L71-E120 WeakPolarHBondContact CD2-OE2 3.32Å; L71-L121 HydrophobicContact CB-CB 4.25Å; L71-L121 HydrophobicContact CB-CD1 4.23Å; L71-K124 HydrophobicContact CD1-CB 4.21Å; L71-K124 HydrophobicContact CD1-CG 3.48Å; L71-K124 VanDerWaalsContact CD1-CG 3.48Å
72	L	98	Very high	94.2	Very high	78 Å²	78	65.2 Å²	65.2	41%	0.408	34%	0.34	S	S	.	.	H	α-helix	trans	-58.6	-46.1	173.8	174.3	63.3	0	0	0	111.9	P68 M75 V76 L121	P68-L72 WeakPolarHBondContact O-CB 3.5Å; P68-L72 PolarHBondContact O-N 2.89Å; L72-M75 HydrophobicContact CD1-CE 3.85Å; L72-M75 PolarHBondContact O-N 3.21Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 3.39Å; L72-L121 HydrophobicContact CB-CD2 4.3Å; L72-L121 HydrophobicContact CD1-CD2 4.41Å
73	L	97.9	Very high	94.6	Very high	110 Å²	110	65.2 Å²	65.2	58%	0.576	35%	0.352	S	S	*	.	H	α-helix	trans	-68	-37	-180	-70.3	174.4	0	0	0	112.3	R69 N70 L71 V76 G77	R69-L73 HydrophobicContact CG-CD1 4.33Å; R69-L73 WeakPolarHBondContact O-CG 3.48Å; R69-L73 PolarHBondContact O-N 3.39Å; R69-L73 VanDerWaalsContact O-N 3.07Å; N70-L73 PolarHBondContact O-N 3.32Å; L71-L73 PolarHBondContact O-N 3.35Å; L73-V76 PolarHBondContact O-N 2.95Å; L73-G77 PolarHBondContact O-N 2.94Å
74	A	96.5	Very high	95.5	Very high	26 Å²	26	68.5 Å²	68.5	22%	0.215	37%	0.366	C	S	.	.	H	α-helix	trans	-62.2	-50	172.9	0	0	0	0	0	110.9	N70 L71 V76 G77 E78 Y117	N70-A74 WeakPolarHBondContact O-CB 3.35Å; N70-A74 PolarHBondContact O-N 3.07Å; L71-A74 PolarHBondContact O-N 3.3Å; A74-V76 VanDerWaalsContact C-N 3.26Å; A74-V76 PolarHBondContact O-N 3.01Å; A74-G77 VanDerWaalsContact O-CA 3.31Å; A74-G77 WeakPolarHBondContact O-CA 3.37Å; A74-G77 PolarHBondContact O-N 2.86Å; A74-E78 PolarHBondContact O-N 3.07Å; A74-E78 VanDerWaalsContact O-N 3.09Å; A74-Y117 HydrophobicContact CB-CD1 3.91Å; A74-Y117 HydrophobicContact CB-CD2 4.3Å; A74-Y117 HydrophobicContact CB-CE1 3.59Å; A74-Y117 HydrophobicContact CB-CE2 4.03Å; A74-Y117 HydrophobicContact CB-CG 4.23Å
75	M	98.2	Very high	96.2	Very high	33 Å²	33	64.6 Å²	64.6	16%	0.163	35%	0.35	C	S	.	.	H	α-helix	trans	-55.5	-38.9	176.1	-171.3	-174.9	71.1	0	0	112.8	L71 L72 G77 E78 V79 V114 Y117 L118	L71-M75 WeakPolarHBondContact O-CB 3.41Å; L71-M75 PolarHBondContact O-N 3.33Å; L72-M75 HydrophobicContact CD1-CE 3.85Å; L72-M75 PolarHBondContact O-N 3.21Å; M75-G77 VanDerWaalsContact C-N 3.29Å; M75-G77 PolarHBondContact O-N 3.25Å; M75-E78 PolarHBondContact O-N 3.33Å; M75-V79 WeakPolarHBondContact O-CG2 3.47Å; M75-V79 PolarHBondContact O-N 2.82Å; M75-V114 HydrophobicContact CG-CG1 4.45Å; M75-Y117 HydrophobicContact CB-CG 4.49Å; M75-L118 HydrophobicContact SD-CB 3.95Å; M75-L118 HydrophobicContact SD-CD1 4.14Å
76	V	98.6	Very high	96.9	Very high	87 Å²	87	63.3 Å²	63.3	53%	0.527	34%	0.344	S	S	.	.	H	α-helix	trans	-64.9	-35.3	175.4	169.5	0	0	0	0	111.6	L72 L73 A74 G80	L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 3.39Å; L73-V76 PolarHBondContact O-N 2.95Å; A74-V76 VanDerWaalsContact C-N 3.26Å; A74-V76 PolarHBondContact O-N 3.01Å; V76-G80 PolarHBondContact O-N 3.21Å; V76-G80 VanDerWaalsContact O-N 3.11Å
77	G	98.4	Very high	97.4	Very high	36 Å²	36	66.8 Å²	66.8	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-58.4	-54	171.5	0	0	0	0	0	111.5	L73 A74 M75 V79 G80 E81	L73-G77 PolarHBondContact O-N 2.94Å; A74-G77 VanDerWaalsContact O-CA 3.31Å; A74-G77 WeakPolarHBondContact O-CA 3.37Å; A74-G77 PolarHBondContact O-N 2.86Å; M75-G77 VanDerWaalsContact C-N 3.29Å; M75-G77 PolarHBondContact O-N 3.25Å; G77-V79 VanDerWaalsContact C-N 3.3Å; G77-V79 PolarHBondContact O-N 3.34Å; G77-G80 CarbonylContact O-C 3.43Å; G77-G80 WeakPolarHBondContact O-CA 3.42Å; G77-G80 PolarHBondContact O-N 3.46Å; G77-E81 PolarHBondContact O-N 3.1Å
78	E	98.4	Very high	97.5	Very high	19 Å²	19	72.3 Å²	72.3	9%	0.089	38%	0.377	C	S	.	.	H	α-helix	trans	-63.3	-34.9	-179	-45.5	-48.7	159.8	0	0	112.5	A74 M75 G80 E81 V82 D113 V114 Y117	A74-E78 PolarHBondContact O-N 3.07Å; A74-E78 VanDerWaalsContact O-N 3.09Å; M75-E78 PolarHBondContact O-N 3.33Å; E78-G80 PolarHBondContact O-N 3.32Å; E78-E81 PolarHBondContact O-N 3.34Å; E78-E81 VanDerWaalsContact O-N 3.17Å; E78-V82 WeakPolarHBondContact O-CG2 3.43Å; E78-V82 PolarHBondContact O-N 2.81Å; E78-D113 HydrophobicContact CB-CB 4.16Å; E78-D113 HydrophobicContact CG-CB 3.84Å; E78-V114 HydrophobicContact CB-CG2 3.65Å; E78-Y117 HydrophobicContact CG-CD2 3.54Å; E78-Y117 HydrophobicContact CG-CE2 3.49Å; E78-Y117 VanDerWaalsContact CG-CE2 3.49Å; E78-Y117 WeakPolarHBondContact OE1-CE2 3.46Å
79	V	98.8	Very high	97.4	Very high	74 Å²	74	73.8 Å²	73.8	45%	0.448	38%	0.376	S	S	.	.	H	α-helix	trans	-62.4	-34.4	170.8	170.5	0	0	0	0	111.3	M75 G77 A83 V114	M75-V79 WeakPolarHBondContact O-CG2 3.47Å; M75-V79 PolarHBondContact O-N 2.82Å; G77-V79 VanDerWaalsContact C-N 3.3Å; G77-V79 PolarHBondContact O-N 3.34Å; V79-A83 WeakPolarHBondContact O-CB 3.24Å; V79-A83 PolarHBondContact O-N 3.5Å; V79-V114 HydrophobicContact CG2-CG1 4.01Å; V79-V114 HydrophobicContact CG2-CG2 3.76Å
80	G	98.6	Very high	97.2	Very high	31 Å²	31	68.4 Å²	68.4	32%	0.32	38%	0.377	S	S	.	.	H	α-helix	trans	-62.9	-46.7	170.9	0	0	0	0	0	111.9	V76 G77 E78 V82 A83 E84	V76-G80 PolarHBondContact O-N 3.21Å; V76-G80 VanDerWaalsContact O-N 3.11Å; G77-G80 CarbonylContact O-C 3.43Å; G77-G80 WeakPolarHBondContact O-CA 3.42Å; G77-G80 PolarHBondContact O-N 3.46Å; E78-G80 PolarHBondContact O-N 3.32Å; G80-V82 PolarHBondContact O-N 3.01Å; G80-A83 CarbonylContact O-C 3.57Å; G80-A83 WeakPolarHBondContact O-CA 3.5Å; G80-A83 WeakPolarHBondContact O-CB 3.29Å; G80-A83 PolarHBondContact O-N 3.11Å; G80-E84 WeakPolarHBondContact O-CG 3.37Å; G80-E84 PolarHBondContact O-N 3.48Å
81	E	98.4	Very high	97.1	Very high	88 Å²	88	75.1 Å²	75.1	41%	0.411	41%	0.406	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.8	-55.8	-158.6	-171.2	0	0	111.4	G77 E78 A83 E84 L85 E110	G77-E81 PolarHBondContact O-N 3.1Å; E78-E81 PolarHBondContact O-N 3.34Å; E78-E81 VanDerWaalsContact O-N 3.17Å; E81-A83 VanDerWaalsContact C-N 3.3Å; E81-A83 PolarHBondContact O-N 2.84Å; E81-E84 WeakPolarHBondContact O-CB 3.36Å; E81-E84 PolarHBondContact O-N 2.71Å; E81-L85 PolarHBondContact O-N 3.4Å; E81-E110 HydrophobicContact CB-CG 4.01Å; E81-E110 VanDerWaalsContact CB-OE2 3.28Å; E81-E110 WeakPolarHBondContact CB-OE2 3.44Å
82	V	98.6	Very high	97	Very high	26 Å²	26	77.6 Å²	77.6	16%	0.158	42%	0.421	C	S	.	.	H	α-helix	trans	-54.7	-48.2	168.8	176.2	0	0	0	0	110.5	E78 G80 E84 L85 F86 L107 E110 L111 V114	E78-V82 WeakPolarHBondContact O-CG2 3.43Å; E78-V82 PolarHBondContact O-N 2.81Å; G80-V82 PolarHBondContact O-N 3.01Å; V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.27Å; V82-L85 PolarHBondContact O-N 2.9Å; V82-F86 HydrophobicContact CG1-CE2 4.36Å; V82-F86 VanDerWaalsContact O-CD2 3.29Å; V82-F86 WeakPolarHBondContact O-CD2 3.3Å; V82-L107 HydrophobicContact CG1-CD1 4.46Å; V82-E110 HydrophobicContact CB-CB 4.4Å; V82-E110 HydrophobicContact CG2-CB 3.48Å; V82-E110 VanDerWaalsContact CG2-CB 3.48Å; V82-L111 HydrophobicContact CG1-CD2 4.34Å; V82-L111 HydrophobicContact CG2-CD2 4.27Å; V82-V114 HydrophobicContact CG2-CG2 4.05Å
83	A	98.4	Very high	96.8	Very high	56 Å²	56	76.2 Å²	76.2	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-63.7	-35.2	-178.7	0	0	0	0	0	112.6	V79 G80 E81 L85 F86 Q87	V79-A83 WeakPolarHBondContact O-CB 3.24Å; V79-A83 PolarHBondContact O-N 3.5Å; G80-A83 CarbonylContact O-C 3.57Å; G80-A83 WeakPolarHBondContact O-CA 3.5Å; G80-A83 WeakPolarHBondContact O-CB 3.29Å; G80-A83 PolarHBondContact O-N 3.11Å; E81-A83 VanDerWaalsContact C-N 3.3Å; E81-A83 PolarHBondContact O-N 2.84Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 3.16Å; A83-F86 PolarHBondContact O-N 3.23Å; A83-F86 VanDerWaalsContact O-N 3.07Å; A83-Q87 PolarHBondContact O-N 3.42Å
84	E	98.1	Very high	96.6	Very high	124 Å²	124	80.4 Å²	80.4	58%	0.579	44%	0.438	S	S	*	.	H	α-helix	trans	-61.3	-32.9	178.5	-73.7	-175	-174.4	0	0	112.9	G80 E81 V82 F86 Q87	G80-E84 WeakPolarHBondContact O-CG 3.37Å; G80-E84 PolarHBondContact O-N 3.48Å; E81-E84 WeakPolarHBondContact O-CB 3.36Å; E81-E84 PolarHBondContact O-N 2.71Å; V82-E84 VanDerWaalsContact C-N 3.3Å; V82-E84 PolarHBondContact O-N 3.27Å; E84-F86 PolarHBondContact O-N 2.94Å; E84-Q87 WeakPolarHBondContact O-CG 3.29Å; E84-Q87 PolarHBondContact O-NE2 2.96Å
85	L	97.4	Very high	96.5	Very high	32 Å²	32	81.6 Å²	81.6	17%	0.168	45%	0.453	C	S	.	.	H	α-helix	trans	-65.8	-24.6	176	-61.5	176.4	0	0	0	113.2	E81 V82 A83 R89 W99 Q106 L107 E110	E81-L85 PolarHBondContact O-N 3.4Å; V82-L85 PolarHBondContact O-N 2.9Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 3.16Å; L85-R89 PolarHBondContact O-NE 3.05Å; L85-W99 HydrophobicContact CB-CH2 4.18Å; L85-Q106 HydrophobicContact CD1-CB 4.45Å; L85-Q106 HydrophobicContact CD2-CB 4.25Å; L85-L107 HydrophobicContact CD1-CB 3.98Å; L85-L107 HydrophobicContact CD1-CD1 4.04Å; L85-E110 HydrophobicContact CD1-CB 4.5Å; L85-E110 HydrophobicContact CD1-CG 3.96Å
86	F	97.6	Very high	96.4	Very high	72 Å²	72	81.5 Å²	81.5	32%	0.316	45%	0.453	S	S	.	.	H	α-helix	trans	-105.7	-19.4	-178.5	-67.6	-95.5	0	0	0	113.8	V82 A83 E84 W88 R89 V92 W99 L107	V82-F86 HydrophobicContact CG1-CE2 4.36Å; V82-F86 VanDerWaalsContact O-CD2 3.29Å; V82-F86 WeakPolarHBondContact O-CD2 3.3Å; A83-F86 PolarHBondContact O-N 3.23Å; A83-F86 VanDerWaalsContact O-N 3.07Å; E84-F86 PolarHBondContact O-N 2.94Å; F86-W88 PolarHBondContact O-N 2.97Å; F86-R89 PolarHBondContact O-N 3.36Å; F86-V92 HydrophobicContact CD1-CB 4.49Å; F86-V92 HydrophobicContact CD1-CG2 3.99Å; F86-V92 HydrophobicContact CE1-CB 4.46Å; F86-V92 HydrophobicContact CE1-CG1 4.13Å; F86-V92 HydrophobicContact CE1-CG2 4.37Å; F86-W99 HydrophobicContact CD1-CH2 4.32Å; F86-W99 AromaticContact CD1-CZ2 3.99Å; F86-W99 HydrophobicContact CD1-CZ2 3.99Å; F86-W99 HydrophobicContact CD2-CH2 4.34Å; F86-W99 AromaticContact CE1-CH2 3.88Å; F86-W99 HydrophobicContact CE1-CH2 3.88Å; F86-W99 AromaticContact CE1-CZ2 3.62Å; F86-W99 HydrophobicContact CE1-CZ2 3.62Å; F86-W99 AromaticContact CE2-CH2 3.92Å; F86-W99 HydrophobicContact CE2-CH2 3.92Å; F86-W99 HydrophobicContact CE2-CZ2 4.48Å; F86-W99 AromaticContact CZ-CH2 3.65Å; F86-W99 HydrophobicContact CZ-CH2 3.65Å; F86-W99 AromaticContact CZ-CZ2 3.89Å; F86-W99 HydrophobicContact CZ-CZ2 3.89Å; F86-L107 HydrophobicContact CE2-CD1 3.65Å; F86-L107 HydrophobicContact CZ-CD1 4.05Å; F86-L107 HydrophobicContact CZ-CD2 4.13Å
87	Q	96.4	Very high	96.2	Very high	104 Å²	104	81.3 Å²	81.3	49%	0.486	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.1	-164	74.6	-175.4	-56.5	0	0	115.2	A83 E84	A83-Q87 PolarHBondContact O-N 3.42Å; E84-Q87 WeakPolarHBondContact O-CG 3.29Å; E84-Q87 PolarHBondContact O-NE2 2.96Å
88	W	95.1	Very high	96	Very high	222 Å²	222	86.2 Å²	86.2	84%	0.841	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	6.1	-178.8	-55.3	121.4	0	0	0	113.6	F86	F86-W88 PolarHBondContact O-N 2.97Å
89	R	93.2	Very high	96	Very high	82 Å²	82	86 Å²	86	31%	0.309	47%	0.47	S	S	.	.			trans	-88.6	148	177.8	-59	-170.7	-175.5	-101.5	-3	110	L85 F86 V92 W99 E103	L85-R89 PolarHBondContact O-NE 3.05Å; F86-R89 PolarHBondContact O-N 3.36Å; R89-V92 HydrophobicContact CB-CG2 3.74Å; R89-W99 VanDerWaalsContact NE-CZ2 3.3Å; R89-E103 IonicContact CZ-OE1 3.64Å; R89-E103 IonicContact NH1-OE1 2.6Å; R89-E103 VanDerWaalsContact NH2-CD 3.34Å; R89-E103 IonicContact NH2-OE1 3.98Å; R89-E103 PolarHBondContact NH2-OE1 2.93Å
90	G	92.5	Very high	95.9	Very high	68 Å²	68	86.3 Å²	86.3	70%	0.701	47%	0.472	S	S	*	.	S	Bend	trans	-72.8	-146.3	168	0	0	0	0	0	111.3	V92	G90-V92 PolarHBondContact O-N 3.3Å
91	E	93.9	Very high	95.8	Very high	207 Å²	207	91.9 Å²	91.9	97%	0.967	49%	0.489	S	S	*	.	S	Bend	trans	-61.4	127.2	169	-65.7	-168.9	164.5	0	0	110.1
92	V	93.4	Very high	95.8	Very high	54 Å²	54	90.9 Å²	90.9	33%	0.327	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-101.3	120.7	179.3	178.9	0	0	0	0	109	F86 R89 G90 L96 W99	F86-V92 HydrophobicContact CD1-CB 4.49Å; F86-V92 HydrophobicContact CD1-CG2 3.99Å; F86-V92 HydrophobicContact CE1-CB 4.46Å; F86-V92 HydrophobicContact CE1-CG1 4.13Å; F86-V92 HydrophobicContact CE1-CG2 4.37Å; R89-V92 HydrophobicContact CB-CG2 3.74Å; G90-V92 PolarHBondContact O-N 3.3Å; V92-L96 HydrophobicContact CG1-CD2 3.31Å; V92-W99 HydrophobicContact CG1-CZ2 4.33Å
93	A	94.8	Very high	95.8	Very high	50 Å²	50	92 Å²	92	41%	0.413	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-71.1	147.3	179.7	0	0	0	0	0	112.2	L96 P97	A93-L96 PolarHBondContact O-N 3.05Å; A93-L96 VanDerWaalsContact O-N 3.11Å; A93-P97 HydrophobicContact CB-CG 4.08Å
94	E	94.2	Very high	95.7	Very high	198 Å²	198	93.3 Å²	93.3	93%	0.925	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	139.3	172.4	-174.3	178.9	172.9	0	0	110.6	L96	E94-L96 PolarHBondContact O-N 3.39Å
95	G	93.1	Very high	95.7	Very high	51 Å²	51	92.7 Å²	92.7	53%	0.526	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-0.9	-177.9	0	0	0	0	0	114.7	R104	G95-R104 VanDerWaalsContact O-CZ 3.27Å; G95-R104 PolarHBondContact O-NH1 3.31Å; G95-R104 PolarHBondContact O-NH2 3.41Å
96	L	95.6	Very high	95.8	Very high	30 Å²	30	95.5 Å²	95.5	16%	0.157	50%	0.498	C	S	.	.			trans	56.3	42.3	170.1	-50.3	178.4	0	0	0	115.1	V92 A93 E94 D98 W99 R104 L107	V92-L96 HydrophobicContact CG1-CD2 3.31Å; A93-L96 PolarHBondContact O-N 3.05Å; A93-L96 VanDerWaalsContact O-N 3.11Å; E94-L96 PolarHBondContact O-N 3.39Å; L96-D98 PolarHBondContact O-N 2.87Å; L96-W99 HydrophobicContact CB-CB 4Å; L96-W99 HydrophobicContact CB-CD2 4.13Å; L96-W99 HydrophobicContact CB-CG 3.71Å; L96-W99 HydrophobicContact CD1-CD2 4.02Å; L96-W99 HydrophobicContact CD1-CE3 4.04Å; L96-W99 HydrophobicContact CD1-CG 4.45Å; L96-W99 HydrophobicContact CD1-CZ3 4.42Å; L96-W99 HydrophobicContact CD2-CD2 4.27Å; L96-W99 HydrophobicContact CD2-CZ2 4.14Å; L96-W99 HydrophobicContact CG-CD2 4.37Å; L96-W99 HydrophobicContact CG-CG 4.45Å; L96-W99 WeakPolarHBondContact O-CB 3.28Å; L96-W99 PolarHBondContact O-N 3.47Å; L96-R104 PolarHBondContact O-NH2 2.99Å; L96-L107 HydrophobicContact CD1-CD2 3.4Å
97	P	95.4	Very high	95.8	Very high	84 Å²	84	92.9 Å²	92.9	55%	0.545	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.2	-170.1	25.4	-36.1	0	0	0	114.2	A93 W99	A93-P97 HydrophobicContact CB-CG 4.08Å; P97-W99 VanDerWaalsContact C-N 3.33Å
98	D	95	Very high	95.9	Very high	139 Å²	139	90.3 Å²	90.3	74%	0.743	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	5.7	-179	-52.7	-49.8	0	0	0	113.7	L96	L96-D98 PolarHBondContact O-N 2.87Å
99	W	97	Very high	96.1	Very high	15 Å²	15	84.5 Å²	84.5	6%	0.057	47%	0.466	C	S	.	.	S	Bend	trans	-95.3	134.5	177.3	-68.1	43.1	0	0	0	110.3	L85 F86 R89 V92 L96 P97 E103 R104 L107	L85-W99 HydrophobicContact CB-CH2 4.18Å; F86-W99 HydrophobicContact CD1-CH2 4.32Å; F86-W99 AromaticContact CD1-CZ2 3.99Å; F86-W99 HydrophobicContact CD1-CZ2 3.99Å; F86-W99 HydrophobicContact CD2-CH2 4.34Å; F86-W99 AromaticContact CE1-CH2 3.88Å; F86-W99 HydrophobicContact CE1-CH2 3.88Å; F86-W99 AromaticContact CE1-CZ2 3.62Å; F86-W99 HydrophobicContact CE1-CZ2 3.62Å; F86-W99 AromaticContact CE2-CH2 3.92Å; F86-W99 HydrophobicContact CE2-CH2 3.92Å; F86-W99 HydrophobicContact CE2-CZ2 4.48Å; F86-W99 AromaticContact CZ-CH2 3.65Å; F86-W99 HydrophobicContact CZ-CH2 3.65Å; F86-W99 AromaticContact CZ-CZ2 3.89Å; F86-W99 HydrophobicContact CZ-CZ2 3.89Å; R89-W99 VanDerWaalsContact NE-CZ2 3.3Å; V92-W99 HydrophobicContact CG1-CZ2 4.33Å; L96-W99 HydrophobicContact CB-CB 4Å; L96-W99 HydrophobicContact CB-CD2 4.13Å; L96-W99 HydrophobicContact CB-CG 3.71Å; L96-W99 HydrophobicContact CD1-CD2 4.02Å; L96-W99 HydrophobicContact CD1-CE3 4.04Å; L96-W99 HydrophobicContact CD1-CG 4.45Å; L96-W99 HydrophobicContact CD1-CZ3 4.42Å; L96-W99 HydrophobicContact CD2-CD2 4.27Å; L96-W99 HydrophobicContact CD2-CZ2 4.14Å; L96-W99 HydrophobicContact CG-CD2 4.37Å; L96-W99 HydrophobicContact CG-CG 4.45Å; L96-W99 WeakPolarHBondContact O-CB 3.28Å; L96-W99 PolarHBondContact O-N 3.47Å; P97-W99 VanDerWaalsContact C-N 3.33Å; W99-E103 WeakPolarHBondContact CA-OE2 3.48Å; W99-E103 HydrophobicContact CB-CB 4.34Å; W99-E103 HydrophobicContact CD2-CB 4.34Å; W99-E103 HydrophobicContact CE3-CB 3.65Å; W99-E103 HydrophobicContact CZ3-CB 4.33Å; W99-R104 HydrophobicContact CB-CG 3.97Å; W99-R104 PolarHBondContact O-NE 3.17Å; W99-L107 HydrophobicContact CH2-CD2 4.26Å; W99-L107 HydrophobicContact CZ3-CB 3.97Å; W99-L107 HydrophobicContact CZ3-CD2 3.98Å; W99-L107 HydrophobicContact CZ3-CG 4.47Å
100	T	97.7	Very high	96.3	Very high	80 Å²	80	82 Å²	82	49%	0.491	46%	0.457	S	S	.	.			trans	-64.8	160.3	168.9	65.2	0	0	0	0	111	S102 E103 R104	T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 PolarHBondContact O-N 3.42Å; T100-E103 WeakPolarHBondContact CB-OE2 3.49Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.39Å; T100-E103 PolarHBondContact N-OE2 3Å; T100-E103 PolarHBondContact O-N 3.34Å; T100-E103 VanDerWaalsContact OG1-CD 3.31Å; T100-E103 VanDerWaalsContact OG1-CG 3.25Å; T100-E103 WeakPolarHBondContact OG1-CG 3.42Å; T100-E103 PolarHBondContact OG1-N 3.23Å; T100-E103 PolarHBondContact OG1-OE2 3.31Å; T100-R104 WeakPolarHBondContact O-CG 3.36Å; T100-R104 PolarHBondContact O-N 3.39Å; T100-R104 VanDerWaalsContact O-N 3.08Å
101	E	97	Very high	96.6	Very high	147 Å²	147	83.2 Å²	83.2	69%	0.687	45%	0.448	S	S	*	.	H	α-helix	trans	-59	-40.2	177.4	-169.3	59	-156.8	0	0	111.9	E103 R104 E105	E101-E103 PolarHBondContact O-N 2.82Å; E101-R104 WeakPolarHBondContact O-CB 3.47Å; E101-R104 PolarHBondContact O-N 3.09Å; E101-E105 WeakPolarHBondContact O-CB 3.4Å; E101-E105 PolarHBondContact O-N 2.87Å
102	S	97.8	Very high	96.8	Very high	68 Å²	68	76.1 Å²	76.1	48%	0.476	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-39.2	178.2	-180	0	0	0	0	112.5	T100 R104 E105 Q106	T100-S102 VanDerWaalsContact C-N 3.26Å; T100-S102 PolarHBondContact O-N 3.42Å; S102-R104 VanDerWaalsContact C-N 3.34Å; S102-E105 PolarHBondContact O-N 2.99Å; S102-Q106 WeakPolarHBondContact O-CG 3.4Å; S102-Q106 PolarHBondContact O-N 3.1Å
103	E	97.4	Very high	97.1	Very high	49 Å²	49	76.3 Å²	76.3	23%	0.229	42%	0.42	C	S	.	.	H	α-helix	trans	-68.3	-35.3	175.7	-68.5	164	126.9	0	0	111.8	R89 W99 T100 E101 L107	R89-E103 IonicContact CZ-OE1 3.64Å; R89-E103 IonicContact NH1-OE1 2.6Å; R89-E103 VanDerWaalsContact NH2-CD 3.34Å; R89-E103 IonicContact NH2-OE1 3.98Å; R89-E103 PolarHBondContact NH2-OE1 2.93Å; W99-E103 WeakPolarHBondContact CA-OE2 3.48Å; W99-E103 HydrophobicContact CB-CB 4.34Å; W99-E103 HydrophobicContact CD2-CB 4.34Å; W99-E103 HydrophobicContact CE3-CB 3.65Å; W99-E103 HydrophobicContact CZ3-CB 4.33Å; T100-E103 WeakPolarHBondContact CB-OE2 3.49Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.39Å; T100-E103 PolarHBondContact N-OE2 3Å; T100-E103 PolarHBondContact O-N 3.34Å; T100-E103 VanDerWaalsContact OG1-CD 3.31Å; T100-E103 VanDerWaalsContact OG1-CG 3.25Å; T100-E103 WeakPolarHBondContact OG1-CG 3.42Å; T100-E103 PolarHBondContact OG1-N 3.23Å; T100-E103 PolarHBondContact OG1-OE2 3.31Å; E101-E103 PolarHBondContact O-N 2.82Å; E103-L107 WeakPolarHBondContact O-CB 3.36Å; E103-L107 PolarHBondContact O-N 3.11Å
104	R	97.6	Very high	97.2	Very high	84 Å²	84	75.3 Å²	75.3	32%	0.317	41%	0.409	S	S	.	.	H	α-helix	trans	-67.9	-38.9	175	-68.7	168.1	175	-97.4	6.8	111.6	G95 L96 W99 T100 E101 S102 L107 A108	G95-R104 VanDerWaalsContact O-CZ 3.27Å; G95-R104 PolarHBondContact O-NH1 3.31Å; G95-R104 PolarHBondContact O-NH2 3.41Å; L96-R104 PolarHBondContact O-NH2 2.99Å; W99-R104 HydrophobicContact CB-CG 3.97Å; W99-R104 PolarHBondContact O-NE 3.17Å; T100-R104 WeakPolarHBondContact O-CG 3.36Å; T100-R104 PolarHBondContact O-N 3.39Å; T100-R104 VanDerWaalsContact O-N 3.08Å; E101-R104 WeakPolarHBondContact O-CB 3.47Å; E101-R104 PolarHBondContact O-N 3.09Å; S102-R104 VanDerWaalsContact C-N 3.34Å; R104-L107 PolarHBondContact O-N 3.47Å; R104-A108 WeakPolarHBondContact O-CB 3.36Å; R104-A108 PolarHBondContact O-N 2.92Å
105	E	98.2	Very high	97.4	Very high	111 Å²	111	69.1 Å²	69.1	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-45.2	175.4	-175.9	171.3	-147.6	0	0	111.1	E101 S102 L107 A108 H109	E101-E105 WeakPolarHBondContact O-CB 3.4Å; E101-E105 PolarHBondContact O-N 2.87Å; S102-E105 PolarHBondContact O-N 2.99Å; E105-L107 VanDerWaalsContact C-N 3.35Å; E105-L107 PolarHBondContact O-N 3.36Å; E105-A108 WeakPolarHBondContact O-CB 3.32Å; E105-A108 PolarHBondContact O-N 3.06Å; E105-A108 VanDerWaalsContact O-N 3.09Å; E105-H109 PolarHBondContact O-CD2 3.3Å; E105-H109 PolarHBondContact O-N 3.3Å
106	Q	98.2	Very high	97.6	Very high	90 Å²	90	68.5 Å²	68.5	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-47.8	172.2	-75	179	-24.1	0	0	111.6	L85 S102 A108 H109 E110	L85-Q106 HydrophobicContact CD1-CB 4.45Å; L85-Q106 HydrophobicContact CD2-CB 4.25Å; S102-Q106 WeakPolarHBondContact O-CG 3.4Å; S102-Q106 PolarHBondContact O-N 3.1Å; Q106-A108 VanDerWaalsContact C-N 3.27Å; Q106-A108 PolarHBondContact O-N 3.25Å; Q106-H109 WeakPolarHBondContact O-CB 3.31Å; Q106-H109 PolarHBondContact O-N 3.35Å; Q106-H109 VanDerWaalsContact O-N 3.11Å; Q106-E110 WeakPolarHBondContact O-CG 3.4Å; Q106-E110 PolarHBondContact O-N 2.82Å
107	L	98.4	Very high	97.7	Very high	18 Å²	18	69 Å²	69	9%	0.094	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-40.6	175.1	178.9	61.9	0	0	0	112.5	V82 L85 F86 L96 W99 E103 R104 E105 H109 L111	V82-L107 HydrophobicContact CG1-CD1 4.46Å; L85-L107 HydrophobicContact CD1-CB 3.98Å; L85-L107 HydrophobicContact CD1-CD1 4.04Å; F86-L107 HydrophobicContact CE2-CD1 3.65Å; F86-L107 HydrophobicContact CZ-CD1 4.05Å; F86-L107 HydrophobicContact CZ-CD2 4.13Å; L96-L107 HydrophobicContact CD1-CD2 3.4Å; W99-L107 HydrophobicContact CH2-CD2 4.26Å; W99-L107 HydrophobicContact CZ3-CB 3.97Å; W99-L107 HydrophobicContact CZ3-CD2 3.98Å; W99-L107 HydrophobicContact CZ3-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CB 3.36Å; E103-L107 PolarHBondContact O-N 3.11Å; R104-L107 PolarHBondContact O-N 3.47Å; E105-L107 VanDerWaalsContact C-N 3.35Å; E105-L107 PolarHBondContact O-N 3.36Å; L107-H109 VanDerWaalsContact C-N 3.32Å; L107-L111 HydrophobicContact CD1-CD1 3.89Å; L107-L111 HydrophobicContact CD1-CG 3.95Å; L107-L111 HydrophobicContact CD2-CD1 4.5Å; L107-L111 HydrophobicContact CG-CD1 3.83Å; L107-L111 HydrophobicContact CG-CG 4.31Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 WeakPolarHBondContact O-CG 3.22Å; L107-L111 PolarHBondContact O-N 3.03Å
108	A	98.4	Very high	97.9	Very high	50 Å²	50	68.2 Å²	68.2	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-37.9	177.3	0	0	0	0	0	111.9	R104 E105 Q106 S112	R104-A108 WeakPolarHBondContact O-CB 3.36Å; R104-A108 PolarHBondContact O-N 2.92Å; E105-A108 WeakPolarHBondContact O-CB 3.32Å; E105-A108 PolarHBondContact O-N 3.06Å; E105-A108 VanDerWaalsContact O-N 3.09Å; Q106-A108 VanDerWaalsContact C-N 3.27Å; Q106-A108 PolarHBondContact O-N 3.25Å; A108-S112 VanDerWaalsContact O-CB 3.31Å; A108-S112 WeakPolarHBondContact O-CB 3.29Å; A108-S112 PolarHBondContact O-N 3.15Å; A108-S112 VanDerWaalsContact O-N 3.09Å; A108-S112 PolarHBondContact O-OG 3.41Å
109	H	98.5	Very high	98	Very high	99 Å²	99	61.8 Å²	61.8	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-55.2	173.8	-70.9	-52.9	0	0	0	111.6	E105 Q106 L107 L111 S112 D113	E105-H109 PolarHBondContact O-CD2 3.3Å; E105-H109 PolarHBondContact O-N 3.3Å; Q106-H109 WeakPolarHBondContact O-CB 3.31Å; Q106-H109 PolarHBondContact O-N 3.35Å; Q106-H109 VanDerWaalsContact O-N 3.11Å; L107-H109 VanDerWaalsContact C-N 3.32Å; H109-L111 VanDerWaalsContact C-N 3.32Å; H109-L111 PolarHBondContact O-N 3.45Å; H109-S112 CarbonylContact O-C 3.52Å; H109-S112 WeakPolarHBondContact O-CA 3.35Å; H109-S112 VanDerWaalsContact O-CB 3.29Å; H109-S112 WeakPolarHBondContact O-CB 3.41Å; H109-S112 PolarHBondContact O-N 3.16Å; H109-D113 PolarHBondContact O-N 3.43Å
110	E	98.7	Very high	97.9	Very high	29 Å²	29	61.2 Å²	61.2	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-37.9	-176.1	-55.2	-43.4	142.5	0	0	112.6	E81 V82 L85 Q106 S112 D113 V114	E81-E110 HydrophobicContact CB-CG 4.01Å; E81-E110 VanDerWaalsContact CB-OE2 3.28Å; E81-E110 WeakPolarHBondContact CB-OE2 3.44Å; V82-E110 HydrophobicContact CB-CB 4.4Å; V82-E110 HydrophobicContact CG2-CB 3.48Å; V82-E110 VanDerWaalsContact CG2-CB 3.48Å; L85-E110 HydrophobicContact CD1-CB 4.5Å; L85-E110 HydrophobicContact CD1-CG 3.96Å; Q106-E110 WeakPolarHBondContact O-CG 3.4Å; Q106-E110 PolarHBondContact O-N 2.82Å; E110-S112 VanDerWaalsContact C-N 3.29Å; E110-S112 PolarHBondContact O-N 2.89Å; E110-D113 PolarHBondContact O-N 2.92Å; E110-V114 WeakPolarHBondContact O-CG2 3.21Å; E110-V114 PolarHBondContact O-N 3.31Å; E110-V114 VanDerWaalsContact O-N 3.1Å
111	L	98.8	Very high	97.9	Very high	95 Å²	95	58.8 Å²	58.8	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-64	-35.6	172.8	-71.8	174.1	0	0	0	112.3	V82 L107 H109 L115	V82-L111 HydrophobicContact CG1-CD2 4.34Å; V82-L111 HydrophobicContact CG2-CD2 4.27Å; L107-L111 HydrophobicContact CD1-CD1 3.89Å; L107-L111 HydrophobicContact CD1-CG 3.95Å; L107-L111 HydrophobicContact CD2-CD1 4.5Å; L107-L111 HydrophobicContact CG-CD1 3.83Å; L107-L111 HydrophobicContact CG-CG 4.31Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 WeakPolarHBondContact O-CG 3.22Å; L107-L111 PolarHBondContact O-N 3.03Å; H109-L111 VanDerWaalsContact C-N 3.32Å; H109-L111 PolarHBondContact O-N 3.45Å; L111-L115 PolarHBondContact O-N 3.48Å
112	S	98.3	Very high	98	Very high	58 Å²	58	52.3 Å²	52.3	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-42.2	177.1	-61.3	0	0	0	0	111.1	A108 H109 E110 V114 L115 I116	A108-S112 VanDerWaalsContact O-CB 3.31Å; A108-S112 WeakPolarHBondContact O-CB 3.29Å; A108-S112 PolarHBondContact O-N 3.15Å; A108-S112 VanDerWaalsContact O-N 3.09Å; A108-S112 PolarHBondContact O-OG 3.41Å; H109-S112 CarbonylContact O-C 3.52Å; H109-S112 WeakPolarHBondContact O-CA 3.35Å; H109-S112 VanDerWaalsContact O-CB 3.29Å; H109-S112 WeakPolarHBondContact O-CB 3.41Å; H109-S112 PolarHBondContact O-N 3.16Å; E110-S112 VanDerWaalsContact C-N 3.29Å; E110-S112 PolarHBondContact O-N 2.89Å; S112-V114 PolarHBondContact O-N 3.11Å; S112-L115 WeakPolarHBondContact O-CB 3.47Å; S112-L115 PolarHBondContact O-N 3.33Å; S112-L115 VanDerWaalsContact O-N 3.14Å; S112-I116 WeakPolarHBondContact O-CB 3.17Å; S112-I116 WeakPolarHBondContact O-CD1 3.49Å; S112-I116 VanDerWaalsContact O-CG1 3.24Å; S112-I116 WeakPolarHBondContact O-CG1 2.94Å; S112-I116 PolarHBondContact O-N 3.46Å
113	D	98.3	Very high	97.9	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-41.1	179.5	-71.7	-33.1	0	0	0	111.7	E78 H109 E110 L115 I116 Y117	E78-D113 HydrophobicContact CB-CB 4.16Å; E78-D113 HydrophobicContact CG-CB 3.84Å; H109-D113 PolarHBondContact O-N 3.43Å; E110-D113 PolarHBondContact O-N 2.92Å; D113-L115 VanDerWaalsContact C-N 3.34Å; D113-L115 PolarHBondContact O-N 3.1Å; D113-I116 PolarHBondContact O-N 3.25Å; D113-Y117 VanDerWaalsContact O-CD2 3.22Å; D113-Y117 WeakPolarHBondContact O-CD2 3.36Å; D113-Y117 PolarHBondContact O-N 3.31Å
114	V	98.6	Very high	97.8	Very high	30 Å²	30	52.4 Å²	52.4	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-57.1	-46.9	170.4	173.8	0	0	0	0	111.5	M75 E78 V79 V82 E110 S112 L118	M75-V114 HydrophobicContact CG-CG1 4.45Å; E78-V114 HydrophobicContact CB-CG2 3.65Å; V79-V114 HydrophobicContact CG2-CG1 4.01Å; V79-V114 HydrophobicContact CG2-CG2 3.76Å; V82-V114 HydrophobicContact CG2-CG2 4.05Å; E110-V114 WeakPolarHBondContact O-CG2 3.21Å; E110-V114 PolarHBondContact O-N 3.31Å; E110-V114 VanDerWaalsContact O-N 3.1Å; S112-V114 PolarHBondContact O-N 3.11Å; V114-L118 WeakPolarHBondContact O-CB 3.43Å; V114-L118 PolarHBondContact O-N 3.06Å
115	L	98.4	Very high	97.7	Very high	67 Å²	67	51.4 Å²	51.4	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-64	-42.5	180	176.5	62	0	0	0	111.6	I49 L111 S112 D113 L118 V119	I49-L115 HydrophobicContact CD1-CD2 3.9Å; L111-L115 PolarHBondContact O-N 3.48Å; S112-L115 WeakPolarHBondContact O-CB 3.47Å; S112-L115 PolarHBondContact O-N 3.33Å; S112-L115 VanDerWaalsContact O-N 3.14Å; D113-L115 VanDerWaalsContact C-N 3.34Å; D113-L115 PolarHBondContact O-N 3.1Å; L115-L118 PolarHBondContact O-N 3.37Å; L115-V119 HydrophobicContact CD1-CG2 4.09Å; L115-V119 HydrophobicContact CG-CG2 4.5Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 2.84Å
116	I	97.1	Very high	97.7	Very high	38 Å²	38	57.3 Å²	57.3	20%	0.195	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-54	179.5	-77.4	164.3	0	0	0	110.4	Q53 S112 D113 L118 V119 E120	Q53-I116 VanDerWaalsContact CD-CG2 3.42Å; Q53-I116 HydrophobicContact CG-CG2 4.03Å; S112-I116 WeakPolarHBondContact O-CB 3.17Å; S112-I116 WeakPolarHBondContact O-CD1 3.49Å; S112-I116 VanDerWaalsContact O-CG1 3.24Å; S112-I116 WeakPolarHBondContact O-CG1 2.94Å; S112-I116 PolarHBondContact O-N 3.46Å; D113-I116 PolarHBondContact O-N 3.25Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.86Å; I116-V119 PolarHBondContact O-N 3.45Å; I116-E120 PolarHBondContact O-N 3.47Å
117	Y	97.2	Very high	97.7	Very high	40 Å²	40	56.2 Å²	56.2	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-32.4	179.8	-73.2	-63.9	0	0	0	112.7	L71 A74 M75 E78 D113 E120 L121	L71-Y117 HydrophobicContact CD2-CD1 3.96Å; L71-Y117 HydrophobicContact CD2-CE1 4.37Å; A74-Y117 HydrophobicContact CB-CD1 3.91Å; A74-Y117 HydrophobicContact CB-CD2 4.3Å; A74-Y117 HydrophobicContact CB-CE1 3.59Å; A74-Y117 HydrophobicContact CB-CE2 4.03Å; A74-Y117 HydrophobicContact CB-CG 4.23Å; M75-Y117 HydrophobicContact CB-CG 4.49Å; E78-Y117 HydrophobicContact CG-CD2 3.54Å; E78-Y117 HydrophobicContact CG-CE2 3.49Å; E78-Y117 VanDerWaalsContact CG-CE2 3.49Å; E78-Y117 WeakPolarHBondContact OE1-CE2 3.46Å; D113-Y117 VanDerWaalsContact O-CD2 3.22Å; D113-Y117 WeakPolarHBondContact O-CD2 3.36Å; D113-Y117 PolarHBondContact O-N 3.31Å; Y117-E120 PolarHBondContact O-N 3.47Å; Y117-L121 WeakPolarHBondContact O-CB 3.34Å; Y117-L121 PolarHBondContact O-N 2.87Å
118	L	98.4	Very high	97.7	Very high	68 Å²	68	59.7 Å²	59.7	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-63.7	-46.4	175.1	176.9	61.5	0	0	0	111.8	M75 V114 L115 I116 E120 L121 A122 L129	M75-L118 HydrophobicContact SD-CB 3.95Å; M75-L118 HydrophobicContact SD-CD1 4.14Å; V114-L118 WeakPolarHBondContact O-CB 3.43Å; V114-L118 PolarHBondContact O-N 3.06Å; L115-L118 PolarHBondContact O-N 3.37Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.86Å; L118-E120 VanDerWaalsContact C-N 3.35Å; L118-L121 PolarHBondContact O-N 3.01Å; L118-A122 WeakPolarHBondContact O-CB 3.32Å; L118-A122 PolarHBondContact O-N 3.47Å; L118-L129 HydrophobicContact CD2-CD2 4.43Å; L118-L129 HydrophobicContact CG-CD2 4.09Å
119	V	97.8	Very high	97.7	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-44.5	177.6	170.1	0	0	0	0	110.3	M46 I49 R50 L115 I116 A122 E123 L129	M46-V119 HydrophobicContact CG-CG2 3.89Å; I49-V119 HydrophobicContact CG2-CB 4.38Å; I49-V119 HydrophobicContact CG2-CG1 4.25Å; I49-V119 HydrophobicContact CG2-CG2 4.31Å; R50-V119 HydrophobicContact CB-CG1 3.71Å; R50-V119 HydrophobicContact CG-CG1 4.21Å; L115-V119 HydrophobicContact CD1-CG2 4.09Å; L115-V119 HydrophobicContact CG-CG2 4.5Å; L115-V119 WeakPolarHBondContact O-CG2 3.43Å; L115-V119 PolarHBondContact O-N 2.84Å; I116-V119 PolarHBondContact O-N 3.45Å; V119-A122 WeakPolarHBondContact O-CB 3.36Å; V119-A122 PolarHBondContact O-N 3.38Å; V119-E123 PolarHBondContact O-N 3.39Å; V119-L129 HydrophobicContact CG2-CD2 4.42Å
120	E	95.8	Very high	97.7	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-41.4	-180	-153.5	-160.8	149.1	0	0	112.3	H66 L71 I116 Y117 L118 A122 E123 K124	H66-E120 VanDerWaalsContact CB-OE1 3.28Å; H66-E120 WeakPolarHBondContact CB-OE1 3.06Å; H66-E120 IonicContact CE1-OE1 3.57Å; H66-E120 IonicContact CE1-OE2 2.84Å; H66-E120 IonicContact CG-OE1 2.74Å; H66-E120 VanDerWaalsContact CG-OE1 3.24Å; H66-E120 VanDerWaalsContact ND1-CD 3.27Å; H66-E120 IonicContact ND1-OE1 3.27Å; H66-E120 PolarHBondContact ND1-OE1 3.08Å; H66-E120 IonicContact ND1-OE2 3.61Å; H66-E120 PolarHBondContact ND1-OE2 3.43Å; L71-E120 HydrophobicContact CD1-CB 4.36Å; L71-E120 HydrophobicContact CD1-CG 4.2Å; L71-E120 HydrophobicContact CD2-CB 4.47Å; L71-E120 HydrophobicContact CD2-CG 4.44Å; L71-E120 VanDerWaalsContact CD2-OE2 3.26Å; L71-E120 WeakPolarHBondContact CD2-OE2 3.32Å; I116-E120 PolarHBondContact O-N 3.47Å; Y117-E120 PolarHBondContact O-N 3.47Å; L118-E120 VanDerWaalsContact C-N 3.35Å; E120-A122 VanDerWaalsContact C-N 3.27Å; E120-A122 PolarHBondContact O-N 3.41Å; E120-E123 WeakPolarHBondContact O-CB 3.43Å; E120-E123 PolarHBondContact O-N 2.92Å; E120-E123 VanDerWaalsContact O-N 3.17Å; E120-K124 WeakPolarHBondContact O-CG 3.41Å; E120-K124 PolarHBondContact O-N 3.24Å; E120-K124 WeakPolarHBondContact OE1-CE 3.46Å; E120-K124 IonicContact OE1-NZ 3.67Å
121	L	97.3	Very high	97.7	Very high	29 Å²	29	59.6 Å²	59.6	15%	0.152	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-41.3	174	177.3	60.6	0	0	0	111.1	P68 L71 L72 Y117 L118 K124 C125	P68-L121 HydrophobicContact CB-CD1 3.92Å; P68-L121 WeakPolarHBondContact O-CD1 3.44Å; L71-L121 HydrophobicContact CB-CB 4.25Å; L71-L121 HydrophobicContact CB-CD1 4.23Å; L72-L121 HydrophobicContact CB-CD2 4.3Å; L72-L121 HydrophobicContact CD1-CD2 4.41Å; Y117-L121 WeakPolarHBondContact O-CB 3.34Å; Y117-L121 PolarHBondContact O-N 2.87Å; L118-L121 PolarHBondContact O-N 3.01Å; L121-K124 PolarHBondContact O-N 3.18Å; L121-C125 VanDerWaalsContact O-CB 3.29Å; L121-C125 WeakPolarHBondContact O-CB 3.33Å; L121-C125 PolarHBondContact O-N 3Å; L121-C125 PolarHBondContact O-SG 3.25Å
122	A	98	Very high	97.6	Very high	11 Å²	11	56.3 Å²	56.3	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-42.6	176.1	0	0	0	0	0	111.6	L118 V119 E120 C125 R126 V127 L129	L118-A122 WeakPolarHBondContact O-CB 3.32Å; L118-A122 PolarHBondContact O-N 3.47Å; V119-A122 WeakPolarHBondContact O-CB 3.36Å; V119-A122 PolarHBondContact O-N 3.38Å; E120-A122 VanDerWaalsContact C-N 3.27Å; E120-A122 PolarHBondContact O-N 3.41Å; A122-C125 CarbonylContact O-C 3.47Å; A122-C125 PolarHBondContact O-N 3.17Å; A122-R126 PolarHBondContact O-N 3Å; A122-V127 HydrophobicContact CB-CB 4.27Å; A122-V127 PolarHBondContact O-N 3.49Å; A122-L129 HydrophobicContact CB-CB 3.96Å; A122-L129 HydrophobicContact CB-CD2 4.06Å; A122-L129 HydrophobicContact CB-CG 4.45Å
123	E	96.1	Very high	97.6	Very high	54 Å²	54	57 Å²	57	25%	0.252	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-52.6	174.3	176.5	-179.6	-134.8	0	0	111.7	R50 V119 E120 C125 R126	R50-E123 HydrophobicContact CG-CB 4.14Å; R50-E123 HydrophobicContact CG-CG 4.32Å; R50-E123 IonicContact CZ-OE1 3.53Å; R50-E123 IonicContact NH1-OE1 3.65Å; R50-E123 PolarHBondContact NH1-OE1 2.79Å; V119-E123 PolarHBondContact O-N 3.39Å; E120-E123 WeakPolarHBondContact O-CB 3.43Å; E120-E123 PolarHBondContact O-N 2.92Å; E120-E123 VanDerWaalsContact O-N 3.17Å; E123-C125 PolarHBondContact O-N 2.68Å; E123-R126 PolarHBondContact O-N 3.37Å
124	K	95.1	Very high	97.5	Very high	64 Å²	64	59.4 Å²	59.4	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-29.6	179.5	-60.7	-50.3	-173.4	-158.9	0	112.3	N63 H66 P68 L71 E120 L121 R126	N63-K124 PolarHBondContact OD1-NZ 2.91Å; H66-K124 WeakPolarHBondContact O-CE 3.45Å; P68-K124 HydrophobicContact CG-CB 4.16Å; L71-K124 HydrophobicContact CD1-CB 4.21Å; L71-K124 HydrophobicContact CD1-CG 3.48Å; L71-K124 VanDerWaalsContact CD1-CG 3.48Å; E120-K124 WeakPolarHBondContact O-CG 3.41Å; E120-K124 PolarHBondContact O-N 3.24Å; E120-K124 WeakPolarHBondContact OE1-CE 3.46Å; E120-K124 IonicContact OE1-NZ 3.67Å; L121-K124 PolarHBondContact O-N 3.18Å; K124-R126 VanDerWaalsContact C-N 3.34Å
125	C	97.3	Very high	97.4	Very high	64 Å²	64	64.9 Å²	64.9	43%	0.432	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.9	174.8	-63.7	0	0	0	0	114.1	L121 A122 E123 V127	L121-C125 VanDerWaalsContact O-CB 3.29Å; L121-C125 WeakPolarHBondContact O-CB 3.33Å; L121-C125 PolarHBondContact O-N 3Å; L121-C125 PolarHBondContact O-SG 3.25Å; A122-C125 CarbonylContact O-C 3.47Å; A122-C125 PolarHBondContact O-N 3.17Å; E123-C125 PolarHBondContact O-N 2.68Å; C125-V127 VanDerWaalsContact C-N 3.3Å; C125-V127 HydrophobicContact CB-CG2 3.95Å; C125-V127 PolarHBondContact O-N 2.81Å
126	R	97.5	Very high	97.2	Very high	235 Å²	235	66.9 Å²	66.9	89%	0.887	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	41.8	-175	-56.1	-176.3	176.8	-166.3	-2.2	113.4	A122 E123 K124	A122-R126 PolarHBondContact O-N 3Å; E123-R126 PolarHBondContact O-N 3.37Å; K124-R126 VanDerWaalsContact C-N 3.34Å
127	V	98.4	Very high	97	Very high	66 Å²	66	69.3 Å²	69.3	40%	0.4	34%	0.341	S	S	.	.			trans	-99.7	117.6	176	178	0	0	0	0	109	A122 C125 L129 A132	A122-V127 HydrophobicContact CB-CB 4.27Å; A122-V127 PolarHBondContact O-N 3.49Å; C125-V127 VanDerWaalsContact C-N 3.3Å; C125-V127 HydrophobicContact CB-CG2 3.95Å; C125-V127 PolarHBondContact O-N 2.81Å; V127-L129 VanDerWaalsContact C-N 3.29Å; V127-L129 PolarHBondContact O-N 2.93Å; V127-A132 HydrophobicContact CG1-CB 4.11Å
128	D	98.3	Very high	96.7	Very high	91 Å²	91	70.1 Å²	70.1	49%	0.487	36%	0.356	S	S	.	.			trans	-68.2	91.4	164.3	-178.2	-22.8	0	0	0	108.6	P130 Q131 A132	D128-P130 WeakPolarHBondContact OD1-CD 3.15Å; D128-Q131 HydrophobicContact CB-CB 4.27Å; D128-Q131 PolarHBondContact O-N 3.27Å; D128-Q131 WeakPolarHBondContact OD1-CB 3.48Å; D128-Q131 WeakPolarHBondContact OD1-CG 3.33Å; D128-Q131 PolarHBondContact OD1-N 2.85Å; D128-Q131 VanDerWaalsContact OD1-N 3.08Å; D128-Q131 WeakPolarHBondContact OD2-CG 3.41Å; D128-A132 VanDerWaalsContact O-CB 3.32Å; D128-A132 WeakPolarHBondContact O-CB 3.45Å; D128-A132 PolarHBondContact O-N 2.91Å
129	L	98.2	Very high	96.3	Very high	29 Å²	29	71.8 Å²	71.8	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-44.3	-171.8	-175.6	59.3	0	0	0	112.6	M46 L118 V119 A122 V127 Q131 A132 V133	M46-L129 HydrophobicContact CE-CD2 3.9Å; M46-L129 HydrophobicContact CE-CG 4.14Å; M46-L129 HydrophobicContact SD-CB 3.68Å; M46-L129 HydrophobicContact SD-CD2 3.58Å; M46-L129 VanDerWaalsContact SD-CD2 3.58Å; M46-L129 HydrophobicContact SD-CG 3.58Å; M46-L129 VanDerWaalsContact SD-CG 3.58Å; L118-L129 HydrophobicContact CD2-CD2 4.43Å; L118-L129 HydrophobicContact CG-CD2 4.09Å; V119-L129 HydrophobicContact CG2-CD2 4.42Å; A122-L129 HydrophobicContact CB-CB 3.96Å; A122-L129 HydrophobicContact CB-CD2 4.06Å; A122-L129 HydrophobicContact CB-CG 4.45Å; V127-L129 VanDerWaalsContact C-N 3.29Å; V127-L129 PolarHBondContact O-N 2.93Å; L129-Q131 PolarHBondContact O-N 2.9Å; L129-A132 PolarHBondContact O-N 3.46Å; L129-V133 HydrophobicContact CD1-CG2 4.41Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.49Å
130	P	98.1	Very high	95.7	Very high	58 Å²	58	73.9 Å²	73.9	38%	0.377	38%	0.375	S	S	.	.	H	α-helix	trans	-55.5	-47.2	173.3	-26.3	35.1	0	0	0	112.8	M46 D128 A132 V133 L134	M46-P130 HydrophobicContact CB-CG 4.19Å; M46-P130 HydrophobicContact CG-CG 4.26Å; M46-P130 VanDerWaalsContact SD-CD 3.51Å; M46-P130 HydrophobicContact SD-CG 3.64Å; D128-P130 WeakPolarHBondContact OD1-CD 3.15Å; P130-A132 PolarHBondContact O-N 3.5Å; P130-V133 PolarHBondContact O-N 2.63Å; P130-L134 WeakPolarHBondContact O-CG 3.26Å; P130-L134 PolarHBondContact O-N 2.6Å; P130-L134 VanDerWaalsContact O-N 3.1Å
131	Q	98.3	Very high	95.2	Very high	90 Å²	90	82.3 Å²	82.3	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-69.2	-34	178.6	-64.3	-60	-40.5	0	0	112.3	D128 L129 L134 R135	D128-Q131 HydrophobicContact CB-CB 4.27Å; D128-Q131 PolarHBondContact O-N 3.27Å; D128-Q131 WeakPolarHBondContact OD1-CB 3.48Å; D128-Q131 WeakPolarHBondContact OD1-CG 3.33Å; D128-Q131 PolarHBondContact OD1-N 2.85Å; D128-Q131 VanDerWaalsContact OD1-N 3.08Å; D128-Q131 WeakPolarHBondContact OD2-CG 3.41Å; L129-Q131 PolarHBondContact O-N 2.9Å; Q131-L134 PolarHBondContact O-N 3.44Å; Q131-R135 WeakPolarHBondContact O-CG 3.31Å; Q131-R135 PolarHBondContact O-N 3.22Å; Q131-R135 PolarHBondContact O-NH1 3.35Å
132	A	98.1	Very high	94.5	Very high	25 Å²	25	87.7 Å²	87.7	21%	0.207	44%	0.435	C	S	.	.	H	α-helix	trans	-62.8	-41.7	174.2	0	0	0	0	0	111.9	V127 D128 L129 P130 R135 K136	V127-A132 HydrophobicContact CG1-CB 4.11Å; D128-A132 VanDerWaalsContact O-CB 3.32Å; D128-A132 WeakPolarHBondContact O-CB 3.45Å; D128-A132 PolarHBondContact O-N 2.91Å; L129-A132 PolarHBondContact O-N 3.46Å; P130-A132 PolarHBondContact O-N 3.5Å; A132-R135 PolarHBondContact O-N 3.42Å; A132-K136 WeakPolarHBondContact O-CB 3.28Å; A132-K136 PolarHBondContact O-N 3.22Å
133	V	97.5	Very high	93.5	Very high	73 Å²	73	91.2 Å²	91.2	44%	0.442	45%	0.449	S	S	.	.	H	α-helix	trans	-62	-45.9	174.5	171.1	0	0	0	0	110.9	L129 P130 R135 K136 M137	L129-V133 HydrophobicContact CD1-CG2 4.41Å; L129-V133 WeakPolarHBondContact O-CG2 3.44Å; L129-V133 PolarHBondContact O-N 3.49Å; P130-V133 PolarHBondContact O-N 2.63Å; V133-R135 PolarHBondContact O-N 3.04Å; V133-K136 PolarHBondContact O-N 2.86Å; V133-K136 VanDerWaalsContact O-N 3.16Å; V133-M137 HydrophobicContact CG1-CG 4.25Å; V133-M137 WeakPolarHBondContact O-CB 3.26Å; V133-M137 WeakPolarHBondContact O-CG 3.44Å; V133-M137 PolarHBondContact O-N 3.49Å
134	L	96.1	Very high	92.3	Very high	108 Å²	108	92.8 Å²	92.8	57%	0.565	45%	0.453	S	S	*	.	H	α-helix	trans	-56.8	-48.5	177	-71.3	175	0	0	0	111.9	P130 Q131 K136 M137 A138	P130-L134 WeakPolarHBondContact O-CG 3.26Å; P130-L134 PolarHBondContact O-N 2.6Å; P130-L134 VanDerWaalsContact O-N 3.1Å; Q131-L134 PolarHBondContact O-N 3.44Å; L134-K136 PolarHBondContact O-N 2.99Å; L134-M137 PolarHBondContact O-N 2.88Å; L134-A138 PolarHBondContact O-N 3.18Å; L134-A138 VanDerWaalsContact O-N 3.1Å
135	R	97.1	Very high	91.3	Very high	144 Å²	144	91.9 Å²	91.9	54%	0.543	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-43.7	175.8	-69.1	-171.9	-61.9	-89.2	1.9	111.7	Q131 A132 V133 M137 A138 L139	Q131-R135 WeakPolarHBondContact O-CG 3.31Å; Q131-R135 PolarHBondContact O-N 3.22Å; Q131-R135 PolarHBondContact O-NH1 3.35Å; A132-R135 PolarHBondContact O-N 3.42Å; V133-R135 PolarHBondContact O-N 3.04Å; R135-M137 VanDerWaalsContact C-N 3.34Å; R135-M137 PolarHBondContact O-N 3.09Å; R135-A138 PolarHBondContact O-N 3.28Å; R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 3.48Å; R135-L139 VanDerWaalsContact O-N 3.11Å
136	K	93.9	Very high	89.9	Confident	109 Å²	109	94.5 Å²	94.5	47%	0.474	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-38.3	179.9	-171.9	69.1	179.2	87.1	0	112.2	A132 V133 L134 L139 N140	A132-K136 WeakPolarHBondContact O-CB 3.28Å; A132-K136 PolarHBondContact O-N 3.22Å; V133-K136 PolarHBondContact O-N 2.86Å; V133-K136 VanDerWaalsContact O-N 3.16Å; L134-K136 PolarHBondContact O-N 2.99Å; K136-L139 PolarHBondContact O-N 3.46Å; K136-N140 PolarHBondContact NZ-OD1 2.96Å; K136-N140 VanDerWaalsContact O-CG 3.28Å; K136-N140 PolarHBondContact O-N 3.14Å; K136-N140 PolarHBondContact O-OD1 3.4Å
137	M	92.5	Very high	88.3	Confident	90 Å²	90	88.5 Å²	88.5	44%	0.443	46%	0.462	S	S	.	.	H	α-helix	trans	-66.8	-39.9	176.8	-74.4	-58.3	-69.1	0	0	112.1	V133 L134 R135 L139 N140 R141	V133-M137 HydrophobicContact CG1-CG 4.25Å; V133-M137 WeakPolarHBondContact O-CB 3.26Å; V133-M137 WeakPolarHBondContact O-CG 3.44Å; V133-M137 PolarHBondContact O-N 3.49Å; L134-M137 PolarHBondContact O-N 2.88Å; R135-M137 VanDerWaalsContact C-N 3.34Å; R135-M137 PolarHBondContact O-N 3.09Å; M137-L139 VanDerWaalsContact C-N 3.32Å; M137-L139 PolarHBondContact O-N 3.25Å; M137-N140 PolarHBondContact O-N 2.94Å; M137-R141 WeakPolarHBondContact O-CG 3.29Å; M137-R141 PolarHBondContact O-N 2.74Å
138	A	91.6	Very high	86.3	Confident	56 Å²	56	89.9 Å²	89.9	46%	0.463	46%	0.462	S	S	.	.	H	α-helix	trans	-59	-44.7	172.1	0	0	0	0	0	111.4	L134 R135 R141 L142	L134-A138 PolarHBondContact O-N 3.18Å; L134-A138 VanDerWaalsContact O-N 3.1Å; R135-A138 PolarHBondContact O-N 3.28Å; A138-R141 PolarHBondContact O-N 3.02Å; A138-L142 PolarHBondContact O-N 3.2Å
139	L	89.1	Confident	84.3	Confident	104 Å²	104	87 Å²	87	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-63.6	-40.4	174.9	-66.5	172.6	0	0	0	112.8	R135 K136 M137 R141 L142 K143	R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 3.48Å; R135-L139 VanDerWaalsContact O-N 3.11Å; K136-L139 PolarHBondContact O-N 3.46Å; M137-L139 VanDerWaalsContact C-N 3.32Å; M137-L139 PolarHBondContact O-N 3.25Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 3.41Å; L139-L142 PolarHBondContact O-N 2.85Å; L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 2.98Å
140	N	86.1	Confident	81.9	Confident	48 Å²	48	94.1 Å²	94.1	26%	0.257	48%	0.48	S	S	.	.	H	α-helix	trans	-62.8	-39.4	177.5	-74.8	-8.2	0	0	0	111.7	K136 M137 L142 K143 Y144	K136-N140 PolarHBondContact NZ-OD1 2.96Å; K136-N140 VanDerWaalsContact O-CG 3.28Å; K136-N140 PolarHBondContact O-N 3.14Å; K136-N140 PolarHBondContact O-OD1 3.4Å; M137-N140 PolarHBondContact O-N 2.94Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 2.91Å; N140-K143 PolarHBondContact O-N 3.22Å; N140-Y144 WeakPolarHBondContact O-CD2 3.48Å; N140-Y144 PolarHBondContact O-N 3.14Å
141	R	85.3	Confident	80	Confident	181 Å²	181	95.5 Å²	95.5	68%	0.683	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-38.1	176.8	-71.4	176.7	-171.9	-88.6	1.8	112.5	M137 A138 L139 Y144	M137-R141 WeakPolarHBondContact O-CG 3.29Å; M137-R141 PolarHBondContact O-N 2.74Å; A138-R141 PolarHBondContact O-N 3.02Å; L139-R141 VanDerWaalsContact C-N 3.33Å; L139-R141 PolarHBondContact O-N 3.41Å; R141-Y144 CarbonylContact O-C 3.55Å
142	L	81.8	Confident	77.7	Confident	141 Å²	141	93.4 Å²	93.4	74%	0.738	50%	0.5	S	S	*	.	H	α-helix	trans	-68.4	-37.9	174.7	-64.4	174.3	0	0	0	111.7	A138 L139 N140	A138-L142 PolarHBondContact O-N 3.2Å; L139-L142 PolarHBondContact O-N 2.85Å; N140-L142 VanDerWaalsContact C-N 3.33Å; N140-L142 PolarHBondContact O-N 2.91Å
143	K	77.3	Confident	75.7	Confident	86 Å²	86	97.6 Å²	97.6	37%	0.374	54%	0.535	S	S	.	.	H	α-helix	trans	-73.1	-28	-179.5	-170.1	171.7	-179.2	173.5	0	113.3	L139 N140 Y156	L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 2.98Å; N140-K143 PolarHBondContact O-N 3.22Å; K143-Y156 HydrophobicContact CD-CD1 4.29Å; K143-Y156 HydrophobicContact CD-CE1 4.37Å; K143-Y156 HydrophobicContact CG-CD1 4.18Å; K143-Y156 HydrophobicContact CG-CD2 4.46Å; K143-Y156 HydrophobicContact CG-CG 4.08Å; K143-Y156 VanDerWaalsContact NZ-CE1 3.3Å
144	Y	71.6	Confident	73.5	Confident	86 Å²	86	99.6 Å²	99.6	34%	0.337	54%	0.538	S	S	.	.	S	Bend	trans	-131.5	71.9	-177.5	-59.7	-79.7	0	0	0	110.5	N140 R141 T146 V149 Y156	N140-Y144 WeakPolarHBondContact O-CD2 3.48Å; N140-Y144 PolarHBondContact O-N 3.14Å; R141-Y144 CarbonylContact O-C 3.55Å; Y144-T146 PolarHBondContact O-N 2.97Å; Y144-V149 HydrophobicContact CD1-CG1 3.94Å; Y144-Y156 HydrophobicContact CE1-CD1 4.39Å
145	P	73.5	Confident	71.3	Confident	45 Å²	45	101.4 Å²	101.4	29%	0.292	54%	0.541	S	S	.	.			trans	-66.6	136.3	-179.7	26.1	-31.6	0	0	0	110.3	S147 K148 V149	P145-S147 PolarHBondContact O-N 2.98Å; P145-K148 HydrophobicContact CG-CB 4.04Å; P145-K148 HydrophobicContact CG-CD 3.98Å; P145-K148 HydrophobicContact CG-CG 3.95Å; P145-K148 PolarHBondContact O-N 3.48Å; P145-V149 WeakPolarHBondContact O-CG2 3.36Å; P145-V149 PolarHBondContact O-N 3.29Å
146	T	68.2	Low	69.1	Low	119 Å²	119	99.8 Å²	99.8	73%	0.73	54%	0.536	S	S	*	.	H	α-helix	trans	-54.3	-31.8	-175.9	43.9	0	0	0	0	113.3	Y144 K148 H150	Y144-T146 PolarHBondContact O-N 2.97Å; T146-K148 PolarHBondContact O-N 3.43Å; T146-H150 WeakPolarHBondContact O-CB 3.42Å; T146-H150 PolarHBondContact O-N 3.45Å
147	S	62.5	Low	67.3	Low	109 Å²	109	99.2 Å²	99.2	76%	0.762	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-21.2	174.9	53.7	0	0	0	0	114.5	P145	P145-S147 PolarHBondContact O-N 2.98Å
148	K	56.9	Low	65.5	Low	96 Å²	96	100.5 Å²	100.5	42%	0.417	55%	0.546	S	S	.	.	H	α-helix	trans	-105.4	-24.5	-179.7	-62.7	-169.5	171.2	-165.5	0	113.5	P145 T146 Y159 D161	P145-K148 HydrophobicContact CG-CB 4.04Å; P145-K148 HydrophobicContact CG-CD 3.98Å; P145-K148 HydrophobicContact CG-CG 3.95Å; P145-K148 PolarHBondContact O-N 3.48Å; T146-K148 PolarHBondContact O-N 3.43Å; K148-Y159 HydrophobicContact CB-CD1 4.35Å; K148-Y159 HydrophobicContact CB-CG 4.29Å; K148-Y159 WeakPolarHBondContact O-CD1 3.5Å; K148-Y159 WeakPolarHBondContact O-CE1 3.34Å; K148-D161 IonicContact NZ-OD1 2.72Å; K148-D161 PolarHBondContact NZ-OD1 2.72Å
149	V	56.5	Low	63.7	Low	30 Å²	30	100.5 Å²	100.5	18%	0.182	53%	0.534	C	S	.	.	H	α-helix	trans	-118.4	6	-169.5	-59.7	0	0	0	0	115.3	Y144 P145 G151 S152 Y159	Y144-V149 HydrophobicContact CD1-CG1 3.94Å; P145-V149 WeakPolarHBondContact O-CG2 3.36Å; P145-V149 PolarHBondContact O-N 3.29Å; V149-G151 PolarHBondContact O-N 3.26Å; V149-S152 PolarHBondContact O-N 3.44Å; V149-S152 VanDerWaalsContact O-N 3.11Å; V149-Y159 HydrophobicContact CG1-CD2 4.41Å; V149-Y159 HydrophobicContact CG1-CE2 3.53Å; V149-Y159 WeakPolarHBondContact CG1-OH 3.42Å
150	H	48.7	Very low	61.8	Low	178 Å²	178	104.9 Å²	104.9	82%	0.824	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	111.4	-179.9	-169.2	-80.8	0	0	0	111	T146	T146-H150 WeakPolarHBondContact O-CB 3.42Å; T146-H150 PolarHBondContact O-N 3.45Å
151	G	57.4	Low	60.3	Low	88 Å²	88	112.5 Å²	112.5	91%	0.907	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.6	13.7	-179.2	0	0	0	0	0	115.7	V149	V149-G151 PolarHBondContact O-N 3.26Å
152	S	50.7	Low	59.1	Low	45 Å²	45	109.1 Å²	109.1	32%	0.315	59%	0.585	S	S	.	*			trans	-132.4	121.5	-179.6	-161.1	0	0	0	0	113.1	V149 K154 Y159	V149-S152 PolarHBondContact O-N 3.44Å; V149-S152 VanDerWaalsContact O-N 3.11Å; S152-K154 PolarHBondContact O-N 3.29Å; S152-K154 WeakPolarHBondContact OG-CG 3.34Å; S152-Y159 PolarHBondContact O-OH 3.08Å
153	A	56.1	Low	57.9	Low	113 Å²	113	107.4 Å²	107.4	93%	0.934	58%	0.577	S	S	*	*			trans	-81.4	12.2	173.2	0	0	0	0	0	113.4
154	K	51	Low	56.8	Low	116 Å²	116	108.6 Å²	108.6	50%	0.504	59%	0.589	S	S	.	*			trans	-64.4	140.7	-179.5	-71.9	179.5	-179.5	-175.1	0	110.9	S152 Y159	S152-K154 PolarHBondContact O-N 3.29Å; S152-K154 WeakPolarHBondContact OG-CG 3.34Å; K154-Y159 PolarHBondContact O-OH 3.07Å
155	K	49.1	Very low	55.9	Low	146 Å²	146	109.9 Å²	109.9	64%	0.635	60%	0.603	S	S	*	*			trans	-61.4	143.4	174.5	-82.4	-175.8	177.1	175.6	0	109.6	T157 E158	K155-T157 PolarHBondContact O-N 2.85Å; K155-E158 WeakPolarHBondContact O-CB 3.45Å; K155-E158 PolarHBondContact O-N 3.03Å
156	Y	52.1	Low	54.8	Low	110 Å²	110	114 Å²	114	43%	0.431	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-56.3	-21	-179.1	71.4	-76.1	0	0	0	114.4	K143 Y144 E158 Y159	K143-Y156 HydrophobicContact CD-CD1 4.29Å; K143-Y156 HydrophobicContact CD-CE1 4.37Å; K143-Y156 HydrophobicContact CG-CD1 4.18Å; K143-Y156 HydrophobicContact CG-CD2 4.46Å; K143-Y156 HydrophobicContact CG-CG 4.08Å; K143-Y156 VanDerWaalsContact NZ-CE1 3.3Å; Y144-Y156 HydrophobicContact CE1-CD1 4.39Å; Y156-E158 PolarHBondContact O-N 3.11Å; Y156-Y159 PolarHBondContact O-N 3.27Å
157	T	54.4	Low	53.9	Low	96 Å²	96	113.7 Å²	113.7	59%	0.589	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-66.8	-10.7	174.5	49.2	0	0	0	0	113.9	K155	K155-T157 PolarHBondContact O-N 2.85Å
158	E	54.8	Low	53.3	Low	117 Å²	117	114 Å²	114	55%	0.547	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-103	-8.1	-178.6	-65.9	175.9	-140.5	0	0	113.8	K155 Y156 K160	K155-E158 WeakPolarHBondContact O-CB 3.45Å; K155-E158 PolarHBondContact O-N 3.03Å; Y156-E158 PolarHBondContact O-N 3.11Å; E158-K160 PolarHBondContact O-N 2.89Å; E158-K160 VanDerWaalsContact O-N 3.14Å
159	Y	54.1	Low	53	Low	56 Å²	56	115.4 Å²	115.4	22%	0.22	62%	0.62	C	S	.	*			trans	-84.5	87.5	173.2	-54.6	-70.3	0	0	0	109.1	K148 V149 S152 K154 Y156	K148-Y159 HydrophobicContact CB-CD1 4.35Å; K148-Y159 HydrophobicContact CB-CG 4.29Å; K148-Y159 WeakPolarHBondContact O-CD1 3.5Å; K148-Y159 WeakPolarHBondContact O-CE1 3.34Å; V149-Y159 HydrophobicContact CG1-CD2 4.41Å; V149-Y159 HydrophobicContact CG1-CE2 3.53Å; V149-Y159 WeakPolarHBondContact CG1-OH 3.42Å; S152-Y159 PolarHBondContact O-OH 3.08Å; K154-Y159 PolarHBondContact O-OH 3.07Å; Y156-Y159 PolarHBondContact O-N 3.27Å
160	K	49.7	Very low	52.8	Low	197 Å²	197	122.5 Å²	122.5	86%	0.857	66%	0.656	S	S	*	*			trans	-71.3	138.9	164.2	-67.1	-174.4	178.9	-178.7	0	108.7	E158	E158-K160 PolarHBondContact O-N 2.89Å; E158-K160 VanDerWaalsContact O-N 3.14Å
161	D	54.9	Low	53.1	Low	208 Å²	208	117.5 Å²	117.5	100%	1.112	64%	0.641	S	S	*	*			trans	-61.8	0	170.1	-63.9	-44.1	0	0	0	111.6	K148	K148-D161 IonicContact NZ-OD1 2.72Å; K148-D161 PolarHBondContact NZ-OD1 2.72Å

Retrieved 161 of 161 residues in 28 ms (Link to these results)

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