A0A078BPH2_CAEEL Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A078BPH2, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 101 aa.

						>A0A078BPH2_CAEEL|A0A078BPH2
MESLDTNSAKYILQVPQLPPLPAHVGQQLKNKQMLESIFQCNRETQQQPENRIVPTKRLDSKKLPTVSKFDNSIKQNILYGTCPTTLILFKASQEIAQMKD
					

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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	38.1	Very low	41.5	Very low	247 Å²	247	149.8 Å²	149.8	100%	1.217	79%	0.793	S	S	*	*				0	97.9	0	-85.7	174.9	158.7	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 3.44Å
2	E	39.8	Very low	41.1	Very low	198 Å²	198	149.5 Å²	149.5	93%	0.925	79%	0.789	S	S	*	*			trans	-72.7	120.5	171.7	-82.8	175.8	141.7	0	0	108.5	L4	E2-L4 PolarHBondContact O-N 3.36Å
3	S	38.6	Very low	40.7	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	79%	0.785	S	S	*	*			trans	-69.5	114.6	173.5	49.3	0	0	0	0	109.3	M1 D5	M1-S3 PolarHBondContact O-N 3.44Å; S3-D5 PolarHBondContact O-N 3.13Å; S3-D5 VanDerWaalsContact O-N 3.13Å
4	L	39	Very low	40	Very low	163 Å²	163	151.4 Å²	151.4	85%	0.853	79%	0.791	S	S	*	*			trans	-59.7	113.1	168.5	-91	149.2	0	0	0	109.2	E2 T6	E2-L4 PolarHBondContact O-N 3.36Å; L4-T6 PolarHBondContact O-N 3Å
5	D	45.2	Very low	39.8	Very low	98 Å²	98	148.9 Å²	148.9	52%	0.524	79%	0.785	S	S	.	*			trans	-55.3	127.4	-176.6	-163.5	-37.6	0	0	0	111.6	S3 N7 S8	S3-D5 PolarHBondContact O-N 3.13Å; S3-D5 VanDerWaalsContact O-N 3.13Å; D5-N7 PolarHBondContact O-N 2.71Å; D5-N7 PolarHBondContact OD1-N 3.44Å; D5-N7 VanDerWaalsContact OD1-N 3.15Å; D5-N7 PolarHBondContact OD1-ND2 2.7Å; D5-S8 WeakPolarHBondContact O-CB 3.39Å; D5-S8 PolarHBondContact O-N 2.93Å; D5-S8 PolarHBondContact O-OG 3.15Å
6	T	50.9	Low	40	Very low	137 Å²	137	146.3 Å²	146.3	84%	0.84	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-55.3	-9.1	177.9	-19	0	0	0	0	113.9	L4 S8	L4-T6 PolarHBondContact O-N 3Å; T6-S8 VanDerWaalsContact C-N 3.29Å
7	N	50.7	Low	39.6	Very low	127 Å²	127	149 Å²	149	68%	0.679	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-75.7	-10.4	171.1	-73.2	-54.5	0	0	0	114.6	D5 A9	D5-N7 PolarHBondContact O-N 2.71Å; D5-N7 PolarHBondContact OD1-N 3.44Å; D5-N7 VanDerWaalsContact OD1-N 3.15Å; D5-N7 PolarHBondContact OD1-ND2 2.7Å; N7-A9 VanDerWaalsContact C-N 3.3Å; N7-A9 PolarHBondContact O-N 3.36Å
8	S	38.3	Very low	39.8	Very low	79 Å²	79	149.4 Å²	149.4	55%	0.552	79%	0.788	S	S	*	*	G	3₁₀ helix	trans	-74.6	-14.5	-176.8	-47.3	0	0	0	0	114.6	D5 T6 K10	D5-S8 WeakPolarHBondContact O-CB 3.39Å; D5-S8 PolarHBondContact O-N 2.93Å; D5-S8 PolarHBondContact O-OG 3.15Å; T6-S8 VanDerWaalsContact C-N 3.29Å; S8-K10 PolarHBondContact O-N 2.93Å
9	A	39.2	Very low	39.9	Very low	81 Å²	81	147.1 Å²	147.1	67%	0.669	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-90	10.1	-173.9	0	0	0	0	0	114.7	N7	N7-A9 VanDerWaalsContact C-N 3.3Å; N7-A9 PolarHBondContact O-N 3.36Å
10	K	38.9	Very low	40.4	Very low	191 Å²	191	145.8 Å²	145.8	83%	0.83	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-100.2	6.1	-178.6	-112.4	-178.7	-178.4	176.6	0	115.8	S8 I12	S8-K10 PolarHBondContact O-N 2.93Å; K10-I12 VanDerWaalsContact C-N 3.35Å; K10-I12 PolarHBondContact O-N 2.97Å
11	Y	38.1	Very low	40.5	Very low	213 Å²	213	144.3 Å²	144.3	84%	0.835	77%	0.773	S	S	*	*			trans	-99.1	58.6	165.6	-64.4	-80.2	0	0	0	110.4	L13	Y11-L13 PolarHBondContact O-N 3.47Å
12	I	36.1	Very low	40.8	Very low	146 Å²	146	135.4 Å²	135.4	75%	0.749	73%	0.734	S	S	*	*			trans	-63.2	109.8	161.1	-63.1	174.6	0	0	0	105.2	K10 Q14	K10-I12 VanDerWaalsContact C-N 3.35Å; K10-I12 PolarHBondContact O-N 2.97Å; I12-Q14 PolarHBondContact O-N 3.09Å
13	L	35.9	Very low	41.2	Very low	141 Å²	141	130 Å²	130	74%	0.738	72%	0.723	S	S	*	*			trans	-48.9	100.7	169.1	-87	144.6	0	0	0	108.1	Y11 V15	Y11-L13 PolarHBondContact O-N 3.47Å; L13-V15 PolarHBondContact O-N 3.29Å
14	Q	30.7	Very low	41.7	Very low	184 Å²	184	130.2 Å²	130.2	86%	0.86	71%	0.712	S	S	*	*			trans	-61.4	99.3	158.1	-80.4	-178.4	-32.1	0	0	105.6	I12 P16	I12-Q14 PolarHBondContact O-N 3.09Å; Q14-P16 WeakPolarHBondContact O-CD 3.35Å; Q14-P16 VanDerWaalsContact O-N 3.16Å
15	V	37	Very low	41.9	Very low	115 Å²	115	123.8 Å²	123.8	70%	0.697	68%	0.679	S	S	*	*			trans	-62.2	113.5	167.4	-179.3	0	0	0	0	105.1	L13 Q17	L13-V15 PolarHBondContact O-N 3.29Å; V15-Q17 PolarHBondContact O-N 3.13Å
16	P	43.9	Very low	41.8	Very low	106 Å²	106	121.2 Å²	121.2	69%	0.688	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-54.9	131.7	171.2	22.5	-30.7	0	0	0	107.3	Q14 L18	Q14-P16 WeakPolarHBondContact O-CD 3.35Å; Q14-P16 VanDerWaalsContact O-N 3.16Å; P16-L18 PolarHBondContact O-N 2.86Å
17	Q	33.6	Very low	41.3	Very low	193 Å²	193	121.4 Å²	121.4	90%	0.902	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-51	120	174.1	-83.4	-177.1	-14.7	0	0	107.8	V15	V15-Q17 PolarHBondContact O-N 3.13Å
18	L	41.8	Very low	41.1	Very low	157 Å²	157	121.3 Å²	121.3	82%	0.822	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-56.4	133.5	175.8	-73.8	164.8	0	0	0	107.8	P16	P16-L18 PolarHBondContact O-N 2.86Å
19	P	42.9	Very low	41.4	Very low	105 Å²	105	119.4 Å²	119.4	68%	0.682	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-56.1	144.8	173.2	24.3	-32.3	0	0	0	108.9	L21	P19-L21 PolarHBondContact O-N 2.85Å
20	P	48.7	Very low	41.8	Very low	120 Å²	120	124.2 Å²	124.2	78%	0.779	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.2	129.4	175.7	23	-31.7	0	0	0	108.4	P22	P20-P22 WeakPolarHBondContact O-CD 3.35Å; P20-P22 VanDerWaalsContact O-N 3.17Å
21	L	43.1	Very low	42.3	Very low	115 Å²	115	118.8 Å²	118.8	60%	0.602	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-53.8	125.9	173.4	-72.7	167.9	0	0	0	107.3	P19 A23 V25 L29	P19-L21 PolarHBondContact O-N 2.85Å; L21-A23 PolarHBondContact O-N 3.45Å; L21-V25 HydrophobicContact CD2-CG1 3.99Å; L21-L29 HydrophobicContact CD1-CD1 3.9Å
22	P	43.8	Very low	43.1	Very low	60 Å²	60	115.6 Å²	115.6	39%	0.39	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-53.5	141.1	177.3	-21.8	28.2	0	0	0	109.9	P20 H24 V25 G26	P20-P22 WeakPolarHBondContact O-CD 3.35Å; P20-P22 VanDerWaalsContact O-N 3.17Å; P22-H24 WeakPolarHBondContact CB-CE1 3.36Å; P22-H24 VanDerWaalsContact CB-ND1 3.33Å; P22-H24 WeakPolarHBondContact CB-ND1 3.04Å; P22-H24 PolarHBondContact O-N 2.76Å; P22-V25 HydrophobicContact CB-CB 4.37Å; P22-V25 HydrophobicContact CB-CG2 3.9Å; P22-V25 HydrophobicContact CG-CB 4.42Å; P22-V25 HydrophobicContact CG-CG2 3.73Å; P22-V25 WeakPolarHBondContact O-CA 3.43Å; P22-V25 WeakPolarHBondContact O-CB 3.29Å; P22-V25 PolarHBondContact O-N 3.49Å; P22-G26 PolarHBondContact O-N 3.02Å
23	A	49.6	Very low	43.8	Very low	84 Å²	84	115.2 Å²	115.2	69%	0.694	62%	0.617	S	S	*	*	H	α-helix	trans	-54.3	-30.4	-175.7	0	0	0	0	0	113	L21 G26 Q27	L21-A23 PolarHBondContact O-N 3.45Å; A23-G26 PolarHBondContact O-N 3.23Å; A23-Q27 PolarHBondContact O-N 3.46Å; A23-Q27 VanDerWaalsContact O-N 3.13Å
24	H	49	Very low	44.5	Very low	120 Å²	120	112.6 Å²	112.6	56%	0.556	60%	0.602	S	S	*	*	H	α-helix	trans	-70.5	-35	173.6	63.8	-95.8	0	0	0	113.3	P22 Q27 Q28	P22-H24 WeakPolarHBondContact CB-CE1 3.36Å; P22-H24 VanDerWaalsContact CB-ND1 3.33Å; P22-H24 WeakPolarHBondContact CB-ND1 3.04Å; P22-H24 PolarHBondContact O-N 2.76Å; H24-Q27 PolarHBondContact O-N 2.95Å; H24-Q28 PolarHBondContact O-N 2.8Å
25	V	41.8	Very low	45.5	Very low	28 Å²	28	105.9 Å²	105.9	17%	0.17	57%	0.572	C	S	.	*	H	α-helix	trans	-68.1	-38.8	172.1	-178.7	0	0	0	0	109.7	L21 P22 Q27 Q28 L29	L21-V25 HydrophobicContact CD2-CG1 3.99Å; P22-V25 HydrophobicContact CB-CB 4.37Å; P22-V25 HydrophobicContact CB-CG2 3.9Å; P22-V25 HydrophobicContact CG-CB 4.42Å; P22-V25 HydrophobicContact CG-CG2 3.73Å; P22-V25 WeakPolarHBondContact O-CA 3.43Å; P22-V25 WeakPolarHBondContact O-CB 3.29Å; P22-V25 PolarHBondContact O-N 3.49Å; V25-Q27 PolarHBondContact O-N 3.02Å; V25-Q28 PolarHBondContact O-N 3.38Å; V25-L29 HydrophobicContact CG1-CD1 3.89Å; V25-L29 HydrophobicContact CG1-CG 4.27Å; V25-L29 WeakPolarHBondContact O-CB 3.41Å; V25-L29 WeakPolarHBondContact O-CD1 3.38Å; V25-L29 WeakPolarHBondContact O-CG 3.5Å; V25-L29 PolarHBondContact O-N 3.48Å
26	G	43.1	Very low	46.5	Very low	44 Å²	44	105.3 Å²	105.3	45%	0.454	56%	0.562	S	S	.	*	H	α-helix	trans	-59.6	-31.2	170.7	0	0	0	0	0	113.9	P22 A23	P22-G26 PolarHBondContact O-N 3.02Å; A23-G26 PolarHBondContact O-N 3.23Å
27	Q	41.8	Very low	47.1	Very low	140 Å²	140	103.7 Å²	103.7	65%	0.654	55%	0.553	S	S	*	*	H	α-helix	trans	-84.2	-25.8	174.6	-71.9	-170.8	12.7	0	0	114.2	A23 H24 V25 K30	A23-Q27 PolarHBondContact O-N 3.46Å; A23-Q27 VanDerWaalsContact O-N 3.13Å; H24-Q27 PolarHBondContact O-N 2.95Å; V25-Q27 PolarHBondContact O-N 3.02Å; Q27-K30 VanDerWaalsContact O-CG 3.25Å; Q27-K30 WeakPolarHBondContact O-CG 3.32Å
28	Q	45.1	Very low	48.1	Very low	125 Å²	125	96.2 Å²	96.2	58%	0.584	52%	0.519	S	S	*	.	H	α-helix	trans	-80.5	-23.8	172.2	-76.6	-173.3	-27.1	0	0	112.3	H24 V25 K30	H24-Q28 PolarHBondContact O-N 2.8Å; V25-Q28 PolarHBondContact O-N 3.38Å; Q28-K30 PolarHBondContact O-N 3.41Å
29	L	44.7	Very low	49	Very low	39 Å²	39	95 Å²	95	20%	0.204	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	31.1	166.6	-64.7	163.9	0	0	0	112.5	L21 V25 N31 L35	L21-L29 HydrophobicContact CD1-CD1 3.9Å; V25-L29 HydrophobicContact CG1-CD1 3.89Å; V25-L29 HydrophobicContact CG1-CG 4.27Å; V25-L29 WeakPolarHBondContact O-CB 3.41Å; V25-L29 WeakPolarHBondContact O-CD1 3.38Å; V25-L29 WeakPolarHBondContact O-CG 3.5Å; V25-L29 PolarHBondContact O-N 3.48Å; L29-N31 PolarHBondContact O-N 3.11Å; L29-N31 VanDerWaalsContact O-N 3.1Å; L29-L35 HydrophobicContact CB-CD1 3.65Å; L29-L35 HydrophobicContact CB-CG 4.04Å; L29-L35 HydrophobicContact CD1-CD1 4.11Å; L29-L35 HydrophobicContact CD1-CD2 3.96Å; L29-L35 HydrophobicContact CD1-CG 4.33Å; L29-L35 HydrophobicContact CD2-CD1 4.34Å; L29-L35 HydrophobicContact CD2-CD2 3.72Å; L29-L35 HydrophobicContact CD2-CG 3.82Å; L29-L35 HydrophobicContact CG-CD1 4.23Å; L29-L35 HydrophobicContact CG-CD2 4.27Å; L29-L35 HydrophobicContact CG-CG 4.26Å
30	K	47.5	Very low	49.9	Very low	182 Å²	182	94.2 Å²	94.2	79%	0.791	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.6	167.3	-94.2	174.8	-175.3	-176.9	0	112.9	Q27 Q28 K32	Q27-K30 VanDerWaalsContact O-CG 3.25Å; Q27-K30 WeakPolarHBondContact O-CG 3.32Å; Q28-K30 PolarHBondContact O-N 3.41Å; K30-K32 PolarHBondContact O-N 2.93Å
31	N	51.4	Low	50.5	Low	77 Å²	77	88.7 Å²	88.7	41%	0.412	46%	0.459	S	S	.	.			trans	-83.5	74.9	172.9	-147.9	-16.1	0	0	0	109.5	L29 Q33 M34 L35	L29-N31 PolarHBondContact O-N 3.11Å; L29-N31 VanDerWaalsContact O-N 3.1Å; N31-Q33 PolarHBondContact O-N 3.2Å; N31-Q33 VanDerWaalsContact O-N 3.09Å; N31-M34 HydrophobicContact CB-CB 3.85Å; N31-M34 HydrophobicContact CB-CE 3.85Å; N31-M34 WeakPolarHBondContact ND2-CE 3.48Å; N31-M34 WeakPolarHBondContact O-CA 3.42Å; N31-M34 WeakPolarHBondContact O-CB 3.33Å; N31-M34 PolarHBondContact O-N 3.11Å; N31-L35 PolarHBondContact O-N 3.36Å
32	K	53	Low	51.4	Low	146 Å²	146	86.6 Å²	86.6	64%	0.635	45%	0.448	S	S	*	.	H	α-helix	trans	-46.9	-38.6	176.7	-177.2	177.6	172.2	-177.9	0	111.6	K30 M34 L35 E36	K30-K32 PolarHBondContact O-N 2.93Å; K32-M34 VanDerWaalsContact C-N 3.35Å; K32-M34 PolarHBondContact O-N 3.44Å; K32-L35 PolarHBondContact O-N 2.86Å; K32-E36 WeakPolarHBondContact CE-OE1 3.11Å; K32-E36 HydrophobicContact CG-CG 4.47Å; K32-E36 WeakPolarHBondContact CG-OE1 3.26Å; K32-E36 WeakPolarHBondContact O-CB 3.42Å; K32-E36 VanDerWaalsContact O-CG 3.25Å; K32-E36 WeakPolarHBondContact O-CG 3.11Å; K32-E36 PolarHBondContact O-N 2.97Å
33	Q	52	Low	52.3	Low	139 Å²	139	90.5 Å²	90.5	65%	0.65	46%	0.455	S	S	*	.	H	α-helix	trans	-63.9	-35	176.4	-66.6	-178.6	-25.2	0	0	113.5	N31 S37	N31-Q33 PolarHBondContact O-N 3.2Å; N31-Q33 VanDerWaalsContact O-N 3.09Å; Q33-S37 VanDerWaalsContact O-CB 3.31Å; Q33-S37 WeakPolarHBondContact O-CB 3.06Å; Q33-S37 PolarHBondContact O-N 3.02Å; Q33-S37 PolarHBondContact O-OG 3.08Å
34	M	51	Low	52.8	Low	85 Å²	85	89.6 Å²	89.6	42%	0.419	44%	0.436	S	S	.	.	H	α-helix	trans	-72	-44.6	178.4	-167	-169.7	-48.3	0	0	111.1	N31 K32 S37 I38	N31-M34 HydrophobicContact CB-CB 3.85Å; N31-M34 HydrophobicContact CB-CE 3.85Å; N31-M34 WeakPolarHBondContact ND2-CE 3.48Å; N31-M34 WeakPolarHBondContact O-CA 3.42Å; N31-M34 WeakPolarHBondContact O-CB 3.33Å; N31-M34 PolarHBondContact O-N 3.11Å; K32-M34 VanDerWaalsContact C-N 3.35Å; K32-M34 PolarHBondContact O-N 3.44Å; M34-S37 WeakPolarHBondContact O-CB 3.21Å; M34-S37 PolarHBondContact O-N 2Å; M34-I38 HydrophobicContact CG-CD1 4.32Å; M34-I38 WeakPolarHBondContact O-CD1 3.31Å; M34-I38 VanDerWaalsContact O-CG1 3.23Å; M34-I38 WeakPolarHBondContact O-CG1 3.4Å; M34-I38 PolarHBondContact O-N 2.74Å
35	L	51.3	Low	53.2	Low	44 Å²	44	85 Å²	85	23%	0.23	42%	0.416	C	S	.	.	H	α-helix	trans	-61	-46.8	173.2	-85.1	179.4	0	0	0	111.8	L29 N31 K32 S37 I38 F39	L29-L35 HydrophobicContact CB-CD1 3.65Å; L29-L35 HydrophobicContact CB-CG 4.04Å; L29-L35 HydrophobicContact CD1-CD1 4.11Å; L29-L35 HydrophobicContact CD1-CD2 3.96Å; L29-L35 HydrophobicContact CD1-CG 4.33Å; L29-L35 HydrophobicContact CD2-CD1 4.34Å; L29-L35 HydrophobicContact CD2-CD2 3.72Å; L29-L35 HydrophobicContact CD2-CG 3.82Å; L29-L35 HydrophobicContact CG-CD1 4.23Å; L29-L35 HydrophobicContact CG-CD2 4.27Å; L29-L35 HydrophobicContact CG-CG 4.26Å; N31-L35 PolarHBondContact O-N 3.36Å; K32-L35 PolarHBondContact O-N 2.86Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 2.83Å; L35-I38 PolarHBondContact O-N 2.84Å; L35-I38 VanDerWaalsContact O-N 3.13Å; L35-F39 HydrophobicContact CB-CD2 4.31Å; L35-F39 HydrophobicContact CB-CE2 4.25Å; L35-F39 HydrophobicContact CD2-CE2 4.02Å; L35-F39 WeakPolarHBondContact O-CD2 3.08Å; L35-F39 PolarHBondContact O-N 3.36Å
36	E	58.5	Low	53.9	Low	102 Å²	102	90.3 Å²	90.3	48%	0.477	44%	0.44	S	S	.	.	H	α-helix	trans	-58.2	-42.6	176	-76.8	170.7	174.3	0	0	111.2	K32 I38 F39 Q40	K32-E36 WeakPolarHBondContact CE-OE1 3.11Å; K32-E36 HydrophobicContact CG-CG 4.47Å; K32-E36 WeakPolarHBondContact CG-OE1 3.26Å; K32-E36 WeakPolarHBondContact O-CB 3.42Å; K32-E36 VanDerWaalsContact O-CG 3.25Å; K32-E36 WeakPolarHBondContact O-CG 3.11Å; K32-E36 PolarHBondContact O-N 2.97Å; E36-I38 PolarHBondContact O-N 2.84Å; E36-F39 PolarHBondContact O-N 3.17Å; E36-Q40 WeakPolarHBondContact O-CB 3.4Å; E36-Q40 PolarHBondContact O-N 3.12Å
37	S	56.6	Low	54.6	Low	72 Å²	72	94.4 Å²	94.4	50%	0.503	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-42.1	175.3	-60.6	0	0	0	0	111.9	Q33 M34 L35 C41	Q33-S37 VanDerWaalsContact O-CB 3.31Å; Q33-S37 WeakPolarHBondContact O-CB 3.06Å; Q33-S37 PolarHBondContact O-N 3.02Å; Q33-S37 PolarHBondContact O-OG 3.08Å; M34-S37 WeakPolarHBondContact O-CB 3.21Å; M34-S37 PolarHBondContact O-N 2Å; L35-S37 VanDerWaalsContact C-N 3.28Å; L35-S37 PolarHBondContact O-N 2.83Å; S37-C41 WeakPolarHBondContact O-CB 3.33Å; S37-C41 PolarHBondContact O-N 3.23Å
38	I	53.6	Low	55.4	Low	36 Å²	36	92.1 Å²	92.1	19%	0.185	44%	0.436	C	S	.	.	H	α-helix	trans	-65.4	-45.8	176.7	-65	158.2	0	0	0	111.1	M34 L35 E36 N42 I88	M34-I38 HydrophobicContact CG-CD1 4.32Å; M34-I38 WeakPolarHBondContact O-CD1 3.31Å; M34-I38 VanDerWaalsContact O-CG1 3.23Å; M34-I38 WeakPolarHBondContact O-CG1 3.4Å; M34-I38 PolarHBondContact O-N 2.74Å; L35-I38 PolarHBondContact O-N 2.84Å; L35-I38 VanDerWaalsContact O-N 3.13Å; E36-I38 PolarHBondContact O-N 2.84Å; I38-N42 WeakPolarHBondContact O-CB 3.49Å; I38-N42 PolarHBondContact O-N 3.23Å; I38-I88 HydrophobicContact CD1-CD1 4.26Å; I38-I88 HydrophobicContact CD1-CG2 3.62Å; I38-I88 HydrophobicContact CG1-CD1 3.51Å; I38-I88 HydrophobicContact CG1-CG2 3.98Å
39	F	61.2	Low	55.9	Low	133 Å²	133	90.3 Å²	90.3	58%	0.583	44%	0.435	S	S	*	.	H	α-helix	trans	-66.9	-41.4	179.8	-76.7	-63.3	0	0	0	112	L35 E36 N42 R43	L35-F39 HydrophobicContact CB-CD2 4.31Å; L35-F39 HydrophobicContact CB-CE2 4.25Å; L35-F39 HydrophobicContact CD2-CE2 4.02Å; L35-F39 WeakPolarHBondContact O-CD2 3.08Å; L35-F39 PolarHBondContact O-N 3.36Å; E36-F39 PolarHBondContact O-N 3.17Å; F39-N42 PolarHBondContact O-N 2.93Å; F39-R43 VanDerWaalsContact O-CB 3.32Å; F39-R43 WeakPolarHBondContact O-CB 2.97Å; F39-R43 PolarHBondContact O-N 2.84Å
40	Q	61.3	Low	56.1	Low	87 Å²	87	95 Å²	95	41%	0.407	46%	0.456	S	S	.	.	H	α-helix	trans	-63.9	-45.8	177	-177.2	58.8	28.3	0	0	111	E36 R43 E44	E36-Q40 WeakPolarHBondContact O-CB 3.4Å; E36-Q40 PolarHBondContact O-N 3.12Å; Q40-R43 WeakPolarHBondContact O-CB 3.49Å; Q40-R43 PolarHBondContact O-N 2.9Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.34Å; Q40-E44 PolarHBondContact NE2-OE1 3.35Å; Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.4Å; Q40-E44 PolarHBondContact O-N 2.81Å
41	C	61.8	Low	56.1	Low	5 Å²	5	88.3 Å²	88.3	3%	0.034	43%	0.429	C	S	.	.	H	α-helix	trans	-59.5	-45.8	173.6	176.6	0	0	0	0	111.8	S37 R43 E44 T45 C83 P84 T85	S37-C41 WeakPolarHBondContact O-CB 3.33Å; S37-C41 PolarHBondContact O-N 3.23Å; C41-R43 VanDerWaalsContact C-N 3.33Å; C41-R43 PolarHBondContact O-N 3.46Å; C41-E44 PolarHBondContact O-N 2.87Å; C41-T45 WeakPolarHBondContact O-CB 3.34Å; C41-T45 PolarHBondContact O-N 3.46Å; C41-T45 PolarHBondContact O-OG1 3.16Å; C41-C83 WeakPolarHBondContact CA-SG 3.38Å; C41-C83 HydrophobicContact CB-CB 4.23Å; C41-C83 WeakPolarHBondContact CB-SG 3.41Å; C41-C83 PolarHBondContact O-SG 3.27Å; C41-C83 WeakPolarHBondContact SG-CA 3.48Å; C41-C83 WeakPolarHBondContact SG-CB 3.49Å; C41-C83 CovalentContact SG-SG 2Å; C41-C83 PolarHBondContact SG-SG 2.99Å; C41-P84 WeakPolarHBondContact SG-CD 3.37Å; C41-P84 VanDerWaalsContact SG-N 3.37Å; C41-T85 PolarHBondContact SG-OG1 2.88Å
42	N	60.9	Low	55.9	Low	71 Å²	71	91.5 Å²	91.5	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-39.3	175.2	-170.5	19.1	0	0	0	111.8	I38 F39 T45 Q46	I38-N42 WeakPolarHBondContact O-CB 3.49Å; I38-N42 PolarHBondContact O-N 3.23Å; F39-N42 PolarHBondContact O-N 2.93Å; N42-T45 PolarHBondContact O-N 2.88Å; N42-Q46 WeakPolarHBondContact O-CB 3.23Å; N42-Q46 VanDerWaalsContact O-CG 3.29Å; N42-Q46 WeakPolarHBondContact O-CG 3.39Å; N42-Q46 PolarHBondContact O-N 2.96Å; N42-Q46 PolarHBondContact OD1-NE2 2.7Å
43	R	63.1	Low	55.7	Low	141 Å²	141	87.8 Å²	87.8	53%	0.532	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-45.3	175.7	-175.9	-177.1	-179.9	-176.3	3.1	111.9	F39 Q40 C41 T45 Q46 Q47	F39-R43 VanDerWaalsContact O-CB 3.32Å; F39-R43 WeakPolarHBondContact O-CB 2.97Å; F39-R43 PolarHBondContact O-N 2.84Å; Q40-R43 WeakPolarHBondContact O-CB 3.49Å; Q40-R43 PolarHBondContact O-N 2.9Å; C41-R43 VanDerWaalsContact C-N 3.33Å; C41-R43 PolarHBondContact O-N 3.46Å; R43-T45 VanDerWaalsContact C-N 3.3Å; R43-T45 PolarHBondContact O-N 3.37Å; R43-Q46 PolarHBondContact O-N 2.88Å; R43-Q47 WeakPolarHBondContact O-CG 3.18Å; R43-Q47 PolarHBondContact O-N 3.31Å
44	E	61.1	Low	55.3	Low	66 Å²	66	84.3 Å²	84.3	31%	0.308	41%	0.41	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175.9	-75.2	168.3	-168.7	0	0	111.1	Q40 C41 Q46 Q47 Q48	Q40-E44 WeakPolarHBondContact CG-OE1 3.34Å; Q40-E44 PolarHBondContact NE2-OE1 3.35Å; Q40-E44 WeakPolarHBondContact O-CB 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.4Å; Q40-E44 PolarHBondContact O-N 2.81Å; C41-E44 PolarHBondContact O-N 2.87Å; E44-Q46 VanDerWaalsContact C-N 3.33Å; E44-Q46 PolarHBondContact O-N 2.85Å; E44-Q47 PolarHBondContact O-N 2.93Å; E44-Q48 PolarHBondContact O-N 2.81Å
45	T	57.4	Low	55.2	Low	22 Å²	22	84.5 Å²	84.5	14%	0.135	42%	0.418	C	S	.	.	H	α-helix	trans	-70.1	-28.1	177.8	-54.9	0	0	0	0	113.1	C41 N42 R43 Q48 R52 C83	C41-T45 WeakPolarHBondContact O-CB 3.34Å; C41-T45 PolarHBondContact O-N 3.46Å; C41-T45 PolarHBondContact O-OG1 3.16Å; N42-T45 PolarHBondContact O-N 2.88Å; R43-T45 VanDerWaalsContact C-N 3.3Å; R43-T45 PolarHBondContact O-N 3.37Å; T45-Q48 CarbonylContact O-C 3.56Å; T45-R52 HydrophobicContact CG2-CB 3.61Å; T45-R52 HydrophobicContact CG2-CG 3.63Å; T45-C83 PolarHBondContact OG1-SG 3.06Å
46	Q	56.5	Low	54.7	Low	141 Å²	141	88.5 Å²	88.5	66%	0.659	44%	0.444	S	S	*	.	H	α-helix	trans	-76.3	-34	172.5	-75.6	179.4	14.4	0	0	112.6	N42 R43 E44	N42-Q46 WeakPolarHBondContact O-CB 3.23Å; N42-Q46 VanDerWaalsContact O-CG 3.29Å; N42-Q46 WeakPolarHBondContact O-CG 3.39Å; N42-Q46 PolarHBondContact O-N 2.96Å; N42-Q46 PolarHBondContact OD1-NE2 2.7Å; R43-Q46 PolarHBondContact O-N 2.88Å; E44-Q46 VanDerWaalsContact C-N 3.33Å; E44-Q46 PolarHBondContact O-N 2.85Å
47	Q	57.7	Low	53.9	Low	130 Å²	130	91.9 Å²	91.9	61%	0.607	46%	0.457	S	S	*	.	H	α-helix	trans	-80.7	-31.6	179.1	-71	-179	-7.1	0	0	112.7	R43 E44	R43-Q47 WeakPolarHBondContact O-CG 3.18Å; R43-Q47 PolarHBondContact O-N 3.31Å; E44-Q47 PolarHBondContact O-N 2.93Å
48	Q	58.1	Low	53.2	Low	92 Å²	92	100 Å²	100	43%	0.43	48%	0.477	S	S	.	.			trans	-125.6	84.4	178.6	-69.1	-177.8	10.3	0	0	108.3	E44 T45 E50 N51	E44-Q48 PolarHBondContact O-N 2.81Å; T45-Q48 CarbonylContact O-C 3.56Å; Q48-E50 VanDerWaalsContact C-OE2 3.24Å; Q48-E50 WeakPolarHBondContact CA-OE2 3.47Å; Q48-E50 HydrophobicContact CB-CG 4.19Å; Q48-E50 PolarHBondContact O-N 3.28Å; Q48-E50 VanDerWaalsContact O-N 3.09Å; Q48-N51 HydrophobicContact CB-CB 4.24Å; Q48-N51 WeakPolarHBondContact CB-ND2 3.06Å; Q48-N51 WeakPolarHBondContact O-CB 3.25Å; Q48-N51 PolarHBondContact O-N 2.8Å; Q48-N51 PolarHBondContact OE1-ND2 3.22Å
49	P	54.4	Low	52.7	Low	87 Å²	87	102.7 Å²	102.7	57%	0.565	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-59.6	-18.1	178.4	23.9	-33.1	0	0	0	113.1	N51 R52	P49-N51 VanDerWaalsContact C-N 3.29Å; P49-R52 WeakPolarHBondContact O-CB 2.99Å; P49-R52 PolarHBondContact O-N 3.21Å; P49-R52 VanDerWaalsContact O-N 3.13Å
50	E	49	Very low	51.6	Low	137 Å²	137	101.3 Å²	101.3	64%	0.64	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-65.3	-27.5	168.9	62.4	-88.1	-154.9	0	0	113.5	Q48 R52	Q48-E50 VanDerWaalsContact C-OE2 3.24Å; Q48-E50 WeakPolarHBondContact CA-OE2 3.47Å; Q48-E50 HydrophobicContact CB-CG 4.19Å; Q48-E50 PolarHBondContact O-N 3.28Å; Q48-E50 VanDerWaalsContact O-N 3.09Å; E50-R52 PolarHBondContact O-N 3.42Å
51	N	48.4	Very low	50.7	Low	41 Å²	41	102.1 Å²	102.1	22%	0.219	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-82.9	-2.8	172.6	-64.9	-17.2	0	0	0	112.2	Q48 P49 I53	Q48-N51 HydrophobicContact CB-CB 4.24Å; Q48-N51 WeakPolarHBondContact CB-ND2 3.06Å; Q48-N51 WeakPolarHBondContact O-CB 3.25Å; Q48-N51 PolarHBondContact O-N 2.8Å; Q48-N51 PolarHBondContact OE1-ND2 3.22Å; P49-N51 VanDerWaalsContact C-N 3.29Å; N51-I53 PolarHBondContact O-N 3.22Å
52	R	46.2	Very low	50	Low	145 Å²	145	111.2 Å²	111.2	55%	0.547	54%	0.544	S	S	.	.			trans	-70.9	103.8	172.5	-161.1	175.7	179.5	-172.7	2.4	107.7	T45 P49 E50 V54	T45-R52 HydrophobicContact CG2-CB 3.61Å; T45-R52 HydrophobicContact CG2-CG 3.63Å; P49-R52 WeakPolarHBondContact O-CB 2.99Å; P49-R52 PolarHBondContact O-N 3.21Å; P49-R52 VanDerWaalsContact O-N 3.13Å; E50-R52 PolarHBondContact O-N 3.42Å; R52-V54 HydrophobicContact CB-CG2 3.98Å; R52-V54 HydrophobicContact CG-CG2 3.63Å; R52-V54 PolarHBondContact O-N 2.89Å
53	I	49.5	Very low	49.2	Very low	67 Å²	67	115.7 Å²	115.7	34%	0.344	56%	0.56	S	S	.	*			trans	-65.9	85.1	158.9	-55.2	175.9	0	0	0	105.9	N51 P55	N51-I53 PolarHBondContact O-N 3.22Å; I53-P55 VanDerWaalsContact O-CD 3.26Å; I53-P55 WeakPolarHBondContact O-CD 3.49Å
54	V	43.5	Very low	48.4	Very low	66 Å²	66	114.6 Å²	114.6	40%	0.4	56%	0.564	S	S	.	*			trans	-75.1	118.4	172.5	-171.7	0	0	0	0	105.9	R52 T56	R52-V54 HydrophobicContact CB-CG2 3.98Å; R52-V54 HydrophobicContact CG-CG2 3.63Å; R52-V54 PolarHBondContact O-N 2.89Å; V54-T56 HydrophobicContact CB-CG2 3.8Å; V54-T56 HydrophobicContact CG1-CG2 3.39Å; V54-T56 PolarHBondContact O-N 3.37Å
55	P	48.2	Very low	47.6	Very low	90 Å²	90	114.1 Å²	114.1	58%	0.584	57%	0.567	S	S	*	*			trans	-67.8	86.3	153.2	11.4	3.5	0	0	0	105.4	I53 K57	I53-P55 VanDerWaalsContact O-CD 3.26Å; I53-P55 WeakPolarHBondContact O-CD 3.49Å; P55-K57 CarbonylContact O-C 3.56Å; P55-K57 PolarHBondContact O-N 3.2Å
56	T	41.8	Very low	47.1	Very low	128 Å²	128	118.2 Å²	118.2	79%	0.785	59%	0.592	S	S	*	*			trans	-69	15.7	-179	30.1	0	0	0	0	113.1	V54	V54-T56 HydrophobicContact CB-CG2 3.8Å; V54-T56 HydrophobicContact CG1-CG2 3.39Å; V54-T56 PolarHBondContact O-N 3.37Å
57	K	42	Very low	46.6	Very low	172 Å²	172	116.2 Å²	116.2	75%	0.748	59%	0.589	S	S	*	*	S	Bend	trans	-108.6	108.1	162.3	-66.1	-175.3	-178.7	178.5	0	106	P55 L59	P55-K57 CarbonylContact O-C 3.56Å; P55-K57 PolarHBondContact O-N 3.2Å; K57-L59 PolarHBondContact O-N 2.79Å
58	R	41.6	Very low	45.9	Very low	243 Å²	243	114.2 Å²	114.2	92%	0.917	59%	0.589	S	S	*	*			trans	-43.3	105.7	147.9	-85.6	-177.4	170.1	-179.9	-2.4	104.8	D60	R58-D60 PolarHBondContact O-N 3.48Å
59	L	42.5	Very low	45.3	Very low	92 Å²	92	116.4 Å²	116.4	48%	0.482	60%	0.598	S	S	.	*			trans	-65.4	94.7	171.9	-77.8	164	0	0	0	103.7	K57 S61 L64 P65	K57-L59 PolarHBondContact O-N 2.79Å; L59-S61 PolarHBondContact O-N 3.4Å; L59-L64 HydrophobicContact CB-CD2 4.5Å; L59-L64 HydrophobicContact CD1-CD2 4.21Å; L59-L64 HydrophobicContact CD2-CD2 4.33Å; L59-P65 VanDerWaalsContact CD2-CD 3.48Å; L59-P65 HydrophobicContact CD2-CG 4.21Å
60	D	38.2	Very low	44.9	Very low	105 Å²	105	115 Å²	115	56%	0.561	58%	0.583	S	S	*	*			trans	-48.5	120.2	159.2	-90.1	-31.9	0	0	0	105	R58 K62 K63	R58-D60 PolarHBondContact O-N 3.48Å; D60-K62 PolarHBondContact O-N 3.24Å; D60-K63 HydrophobicContact CB-CB 4.38Å; D60-K63 CarbonylContact O-C 3.57Å; D60-K63 PolarHBondContact O-N 3.13Å
61	S	43.4	Very low	44.8	Very low	104 Å²	104	112.1 Å²	112.1	73%	0.727	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	-15	176.3	50.3	0	0	0	0	112.2	L59	L59-S61 PolarHBondContact O-N 3.4Å
62	K	45.8	Very low	44.5	Very low	196 Å²	196	114.9 Å²	114.9	85%	0.852	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-7.8	174.4	-60.4	-173.4	177.8	-177.4	0	115.1	D60	D60-K62 PolarHBondContact O-N 3.24Å
63	K	45.7	Very low	44.4	Very low	165 Å²	165	111 Å²	111	72%	0.717	58%	0.581	S	S	*	*			trans	-138.3	35.8	-177.2	-67.4	-172.7	-179.9	177.4	0	112.6	D60 P65	D60-K63 HydrophobicContact CB-CB 4.38Å; D60-K63 CarbonylContact O-C 3.57Å; D60-K63 PolarHBondContact O-N 3.13Å; K63-P65 VanDerWaalsContact O-CD 3.23Å; K63-P65 WeakPolarHBondContact O-CD 3.41Å; K63-P65 VanDerWaalsContact O-N 3.1Å
64	L	46	Very low	44.1	Very low	118 Å²	118	108.9 Å²	108.9	62%	0.618	57%	0.57	S	S	*	*			trans	-55.9	115.7	168.5	-82.4	158.6	0	0	0	108.6	L59 T66	L59-L64 HydrophobicContact CB-CD2 4.5Å; L59-L64 HydrophobicContact CD1-CD2 4.21Å; L59-L64 HydrophobicContact CD2-CD2 4.33Å; L64-T66 PolarHBondContact O-N 2.92Å
65	P	43	Very low	44.2	Very low	56 Å²	56	111 Å²	111	36%	0.364	57%	0.574	S	S	.	*			trans	-59.7	129.2	168.8	1.1	7.8	0	0	0	107	L59 K63 V67 K69	L59-P65 VanDerWaalsContact CD2-CD 3.48Å; L59-P65 HydrophobicContact CD2-CG 4.21Å; K63-P65 VanDerWaalsContact O-CD 3.23Å; K63-P65 WeakPolarHBondContact O-CD 3.41Å; K63-P65 VanDerWaalsContact O-N 3.1Å; P65-V67 PolarHBondContact O-N 3.43Å; P65-K69 HydrophobicContact CB-CB 3.91Å; P65-K69 HydrophobicContact CB-CD 4.39Å
66	T	47.5	Very low	43.8	Very low	107 Å²	107	113.5 Å²	113.5	66%	0.656	58%	0.578	S	S	*	*			trans	-41.2	134.1	169.7	5.5	0	0	0	0	109.3	L64 S68 K69	L64-T66 PolarHBondContact O-N 2.92Å; T66-S68 PolarHBondContact O-N 3.43Å; T66-K69 PolarHBondContact O-N 3.21Å
67	V	46.5	Very low	43.7	Very low	100 Å²	100	111.7 Å²	111.7	61%	0.606	56%	0.564	S	S	*	*	H	α-helix	trans	-41.3	-31	-173	177.6	0	0	0	0	113.7	P65 K69 F70 D71 F90	P65-V67 PolarHBondContact O-N 3.43Å; V67-K69 PolarHBondContact O-N 3.49Å; V67-F70 PolarHBondContact O-N 3.21Å; V67-D71 PolarHBondContact O-N 2.87Å; V67-F90 HydrophobicContact CG1-CZ 4.4Å
68	S	43.4	Very low	43.7	Very low	88 Å²	88	108.1 Å²	108.1	62%	0.615	55%	0.552	S	S	*	*	H	α-helix	trans	-60.1	-37.1	173.6	176.2	0	0	0	0	115.8	T66	T66-S68 PolarHBondContact O-N 3.43Å
69	K	45.2	Very low	43.6	Very low	138 Å²	138	102.8 Å²	102.8	60%	0.6	54%	0.541	S	S	*	.	H	α-helix	trans	-76.9	-30.1	178.2	-71.6	-174.5	179.7	-178.4	0	112.3	P65 T66 V67 D71 S73	P65-K69 HydrophobicContact CB-CB 3.91Å; P65-K69 HydrophobicContact CB-CD 4.39Å; T66-K69 PolarHBondContact O-N 3.21Å; V67-K69 PolarHBondContact O-N 3.49Å; K69-D71 VanDerWaalsContact C-N 3.34Å; K69-S73 PolarHBondContact O-N 3.26Å; K69-S73 PolarHBondContact O-OG 3.48Å
70	F	45.1	Very low	43.4	Very low	57 Å²	57	107.7 Å²	107.7	25%	0.25	55%	0.554	C	S	.	*	H	α-helix	trans	-66.6	-40.1	175.4	-168.7	-116.4	0	0	0	110.6	V67 N72 S73 I74 T86 F90	V67-F70 PolarHBondContact O-N 3.21Å; F70-N72 PolarHBondContact O-N 2.82Å; F70-S73 PolarHBondContact O-N 3.09Å; F70-I74 HydrophobicContact CD1-CD1 3.37Å; F70-I74 HydrophobicContact CD1-CG1 4.36Å; F70-I74 HydrophobicContact CD2-CD1 4.3Å; F70-I74 HydrophobicContact CE1-CD1 3.08Å; F70-I74 HydrophobicContact CE1-CG1 4.26Å; F70-I74 HydrophobicContact CE2-CD1 4.04Å; F70-I74 HydrophobicContact CG-CD1 4Å; F70-I74 HydrophobicContact CZ-CD1 3.45Å; F70-I74 VanDerWaalsContact CZ-CD1 3.45Å; F70-I74 HydrophobicContact CZ-CG1 4.33Å; F70-I74 WeakPolarHBondContact O-CB 3.23Å; F70-I74 WeakPolarHBondContact O-CG1 3.34Å; F70-I74 PolarHBondContact O-N 3.05Å; F70-T86 HydrophobicContact CZ-CG2 4.42Å; F70-F90 HydrophobicContact CD1-CD2 4.43Å; F70-F90 HydrophobicContact CD1-CE2 4.09Å; F70-F90 HydrophobicContact CD1-CZ 4.15Å; F70-F90 HydrophobicContact CE1-CD1 4.47Å; F70-F90 AromaticContact CE1-CD2 3.73Å; F70-F90 HydrophobicContact CE1-CD2 3.73Å; F70-F90 AromaticContact CE1-CE2 3.84Å; F70-F90 HydrophobicContact CE1-CE2 3.84Å; F70-F90 HydrophobicContact CE1-CG 4.06Å; F70-F90 HydrophobicContact CE1-CZ 4.23Å
71	D	47.1	Very low	43.4	Very low	76 Å²	76	104.7 Å²	104.7	41%	0.406	55%	0.549	S	S	.	.	H	α-helix	trans	-63.6	-38.2	179.9	-155.6	39.6	0	0	0	113.1	V67 K69 K75	V67-D71 PolarHBondContact O-N 2.87Å; K69-D71 VanDerWaalsContact C-N 3.34Å; D71-K75 WeakPolarHBondContact O-CB 3.23Å; D71-K75 VanDerWaalsContact O-CG 3.23Å; D71-K75 WeakPolarHBondContact O-CG 3.41Å; D71-K75 PolarHBondContact O-N 3.34Å; D71-K75 WeakPolarHBondContact OD2-CE 3.38Å; D71-K75 IonicContact OD2-NZ 2.89Å; D71-K75 PolarHBondContact OD2-NZ 2.78Å
72	N	42.1	Very low	43.5	Very low	100 Å²	100	104.1 Å²	104.1	54%	0.535	54%	0.541	S	S	.	.	H	α-helix	trans	-72.4	-35.2	175.5	-77	-16.6	0	0	0	113	F70 Q76	F70-N72 PolarHBondContact O-N 2.82Å; N72-Q76 PolarHBondContact O-N 3.26Å
73	S	44.6	Very low	43.7	Very low	62 Å²	62	95.6 Å²	95.6	43%	0.434	51%	0.505	S	S	.	.	H	α-helix	trans	-70.5	-36.6	177.7	-48.2	0	0	0	0	111.2	K69 F70 N77	K69-S73 PolarHBondContact O-N 3.26Å; K69-S73 PolarHBondContact O-OG 3.48Å; F70-S73 PolarHBondContact O-N 3.09Å; S73-N77 WeakPolarHBondContact O-CB 3.31Å; S73-N77 PolarHBondContact O-N 2.78Å; S73-N77 VanDerWaalsContact O-N 3.12Å; S73-N77 PolarHBondContact O-ND2 3.01Å
74	I	44	Very low	44	Very low	23 Å²	23	91 Å²	91	12%	0.118	49%	0.493	C	S	.	.	H	α-helix	trans	-70.4	-45.8	175.4	-77.2	-179.5	0	0	0	110.5	F70 Q76 N77 I78 L87	F70-I74 HydrophobicContact CD1-CD1 3.37Å; F70-I74 HydrophobicContact CD1-CG1 4.36Å; F70-I74 HydrophobicContact CD2-CD1 4.3Å; F70-I74 HydrophobicContact CE1-CD1 3.08Å; F70-I74 HydrophobicContact CE1-CG1 4.26Å; F70-I74 HydrophobicContact CE2-CD1 4.04Å; F70-I74 HydrophobicContact CG-CD1 4Å; F70-I74 HydrophobicContact CZ-CD1 3.45Å; F70-I74 VanDerWaalsContact CZ-CD1 3.45Å; F70-I74 HydrophobicContact CZ-CG1 4.33Å; F70-I74 WeakPolarHBondContact O-CB 3.23Å; F70-I74 WeakPolarHBondContact O-CG1 3.34Å; F70-I74 PolarHBondContact O-N 3.05Å; I74-Q76 PolarHBondContact O-N 2.96Å; I74-N77 PolarHBondContact O-N 2.89Å; I74-N77 VanDerWaalsContact O-N 3.17Å; I74-I78 HydrophobicContact CG2-CD1 3.32Å; I74-I78 HydrophobicContact CG2-CG1 3.98Å; I74-I78 WeakPolarHBondContact O-CB 3.46Å; I74-I78 VanDerWaalsContact O-CD1 3.31Å; I74-I78 WeakPolarHBondContact O-CD1 3.26Å; I74-I78 WeakPolarHBondContact O-CG1 3.47Å; I74-I78 PolarHBondContact O-N 3.04Å; I74-L87 HydrophobicContact CG2-CD2 4.03Å; I74-L87 HydrophobicContact CG2-CG 4.35Å
75	K	44.1	Very low	44.1	Very low	111 Å²	111	87.2 Å²	87.2	48%	0.483	47%	0.474	S	S	.	.	H	α-helix	trans	-57.1	-36.4	177.1	-78.3	171.6	-173.7	165.5	0	113	D71	D71-K75 WeakPolarHBondContact O-CB 3.23Å; D71-K75 VanDerWaalsContact O-CG 3.23Å; D71-K75 WeakPolarHBondContact O-CG 3.41Å; D71-K75 PolarHBondContact O-N 3.34Å; D71-K75 WeakPolarHBondContact OD2-CE 3.38Å; D71-K75 IonicContact OD2-NZ 2.89Å; D71-K75 PolarHBondContact OD2-NZ 2.78Å
76	Q	40.5	Very low	44.3	Very low	142 Å²	142	87.1 Å²	87.1	66%	0.664	47%	0.473	S	S	*	.	H	α-helix	trans	-79.2	-32.7	177.9	-70	-169.7	-21.8	0	0	113.6	N72 I74	N72-Q76 PolarHBondContact O-N 3.26Å; I74-Q76 PolarHBondContact O-N 2.96Å
77	N	38.7	Very low	44.2	Very low	91 Å²	91	85.1 Å²	85.1	49%	0.487	46%	0.458	S	S	.	.	H	α-helix	trans	-84.4	-16.3	178.3	-73.8	-23.2	0	0	0	113.8	S73 I74 L79	S73-N77 WeakPolarHBondContact O-CB 3.31Å; S73-N77 PolarHBondContact O-N 2.78Å; S73-N77 VanDerWaalsContact O-N 3.12Å; S73-N77 PolarHBondContact O-ND2 3.01Å; I74-N77 PolarHBondContact O-N 2.89Å; I74-N77 VanDerWaalsContact O-N 3.17Å; N77-L79 PolarHBondContact O-N 3.1Å
78	I	42.5	Very low	44.4	Very low	97 Å²	97	82.6 Å²	82.6	50%	0.497	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.4	170.2	-72.9	163.1	0	0	0	111.8	I74 L87	I74-I78 HydrophobicContact CG2-CD1 3.32Å; I74-I78 HydrophobicContact CG2-CG1 3.98Å; I74-I78 WeakPolarHBondContact O-CB 3.46Å; I74-I78 VanDerWaalsContact O-CD1 3.31Å; I74-I78 WeakPolarHBondContact O-CD1 3.26Å; I74-I78 WeakPolarHBondContact O-CG1 3.47Å; I74-I78 PolarHBondContact O-N 3.04Å; I78-L87 HydrophobicContact CD1-CD1 3.65Å; I78-L87 HydrophobicContact CD1-CD2 4.19Å; I78-L87 HydrophobicContact CD1-CG 4.25Å; I78-L87 HydrophobicContact CG1-CD1 3.69Å
79	L	39.4	Very low	44.7	Very low	131 Å²	131	83.9 Å²	83.9	69%	0.686	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-7	-176.4	-78.2	158	0	0	0	114.1	N77	N77-L79 PolarHBondContact O-N 3.1Å
80	Y	39	Very low	44.9	Very low	194 Å²	194	80.7 Å²	80.7	76%	0.761	43%	0.426	S	S	*	.	S	Bend	trans	-137.4	96.4	-177.4	-65.6	-85.4	0	0	0	111.2
81	G	37.9	Very low	45.2	Very low	43 Å²	43	84.6 Å²	84.6	44%	0.443	44%	0.443	S	S	.	.	S	Bend	trans	95.1	95.2	153.7	0	0	0	0	0	118	C83	G81-C83 PolarHBondContact O-N 3.02Å; G81-C83 VanDerWaalsContact O-N 3.08Å
82	T	44.7	Very low	45.5	Very low	92 Å²	92	82.9 Å²	82.9	56%	0.564	44%	0.439	S	S	*	.	S	Bend		65.4	-1.4	128.1	55.3	0	0	0	0	124
83	C	49.9	Very low	46	Very low	16 Å²	16	81.7 Å²	81.7	11%	0.108	44%	0.439	C	S	.	.			trans	-158.3	106.1	171.1	-172	0	0	0	0	115.8	C41 T45 G81 T85	C41-C83 WeakPolarHBondContact CA-SG 3.38Å; C41-C83 HydrophobicContact CB-CB 4.23Å; C41-C83 WeakPolarHBondContact CB-SG 3.41Å; C41-C83 PolarHBondContact O-SG 3.27Å; C41-C83 WeakPolarHBondContact SG-CA 3.48Å; C41-C83 WeakPolarHBondContact SG-CB 3.49Å; C41-C83 CovalentContact SG-SG 2Å; C41-C83 PolarHBondContact SG-SG 2.99Å; T45-C83 PolarHBondContact OG1-SG 3.06Å; G81-C83 PolarHBondContact O-N 3.02Å; G81-C83 VanDerWaalsContact O-N 3.08Å; C83-T85 VanDerWaalsContact C-N 3.26Å; C83-T85 PolarHBondContact O-N 3.34Å; C83-T85 PolarHBondContact SG-OG1 3.15Å
84	P	52.2	Low	46.4	Very low	70 Å²	70	82.7 Å²	82.7	46%	0.455	44%	0.436	S	S	.	.			trans	-78.6	28.5	-177.5	31.3	-36.4	0	0	0	116	C41 T86 L87 I88	C41-P84 WeakPolarHBondContact SG-CD 3.37Å; C41-P84 VanDerWaalsContact SG-N 3.37Å; P84-T86 VanDerWaalsContact C-N 3.27Å; P84-T86 PolarHBondContact O-N 3.41Å; P84-L87 HydrophobicContact CB-CD1 4.43Å; P84-L87 PolarHBondContact O-N 3.19Å; P84-I88 HydrophobicContact CG-CD1 4.3Å; P84-I88 WeakPolarHBondContact O-CG1 3.46Å; P84-I88 PolarHBondContact O-N 2.7Å
85	T	48.5	Very low	46.6	Very low	37 Å²	37	87.1 Å²	87.1	23%	0.227	46%	0.457	C	S	.	.	H	α-helix	trans	-59.1	-36.5	-175.2	-43.9	0	0	0	0	113.1	C41 C83 I88 L89	C41-T85 PolarHBondContact SG-OG1 2.88Å; C83-T85 VanDerWaalsContact C-N 3.26Å; C83-T85 PolarHBondContact O-N 3.34Å; C83-T85 PolarHBondContact SG-OG1 3.15Å; T85-I88 PolarHBondContact O-N 3.01Å; T85-L89 HydrophobicContact CG2-CD1 4.13Å; T85-L89 WeakPolarHBondContact O-CG 3.14Å; T85-L89 PolarHBondContact O-N 3.34Å
86	T	47.2	Very low	46.9	Very low	54 Å²	54	86.8 Å²	86.8	33%	0.331	46%	0.459	S	S	.	.	H	α-helix	trans	-71.9	-33.9	-177.9	-48.7	0	0	0	0	112.6	F70 P84 F90	F70-T86 HydrophobicContact CZ-CG2 4.42Å; P84-T86 VanDerWaalsContact C-N 3.27Å; P84-T86 PolarHBondContact O-N 3.41Å; T86-F90 WeakPolarHBondContact O-CB 3.35Å; T86-F90 PolarHBondContact O-N 3.19Å
87	L	46	Very low	47.4	Very low	65 Å²	65	83.6 Å²	83.6	34%	0.34	46%	0.457	S	S	.	.	H	α-helix	trans	-68.6	-38.4	176.4	-91.4	163.7	0	0	0	112	I74 I78 P84 K91	I74-L87 HydrophobicContact CG2-CD2 4.03Å; I74-L87 HydrophobicContact CG2-CG 4.35Å; I78-L87 HydrophobicContact CD1-CD1 3.65Å; I78-L87 HydrophobicContact CD1-CD2 4.19Å; I78-L87 HydrophobicContact CD1-CG 4.25Å; I78-L87 HydrophobicContact CG1-CD1 3.69Å; P84-L87 HydrophobicContact CB-CD1 4.43Å; P84-L87 PolarHBondContact O-N 3.19Å; L87-K91 PolarHBondContact O-N 3.41Å
88	I	50.1	Low	47.8	Very low	48 Å²	48	86.2 Å²	86.2	25%	0.246	47%	0.466	C	S	.	.	H	α-helix	trans	-72.4	-41.9	-176.7	-63	170.3	0	0	0	110.7	I38 P84 T85 F90 A92	I38-I88 HydrophobicContact CD1-CD1 4.26Å; I38-I88 HydrophobicContact CD1-CG2 3.62Å; I38-I88 HydrophobicContact CG1-CD1 3.51Å; I38-I88 HydrophobicContact CG1-CG2 3.98Å; P84-I88 HydrophobicContact CG-CD1 4.3Å; P84-I88 WeakPolarHBondContact O-CG1 3.46Å; P84-I88 PolarHBondContact O-N 2.7Å; T85-I88 PolarHBondContact O-N 3.01Å; I88-F90 VanDerWaalsContact C-N 3.35Å; I88-F90 PolarHBondContact O-N 3.3Å; I88-A92 VanDerWaalsContact O-CB 3.26Å; I88-A92 WeakPolarHBondContact O-CB 3.46Å; I88-A92 PolarHBondContact O-N 3Å
89	L	49.3	Very low	48.1	Very low	114 Å²	114	87.7 Å²	87.7	60%	0.597	47%	0.473	S	S	*	.	H	α-helix	trans	-65.9	-35.9	176.3	-72.9	167.4	0	0	0	112.5	T85 S93	T85-L89 HydrophobicContact CG2-CD1 4.13Å; T85-L89 WeakPolarHBondContact O-CG 3.14Å; T85-L89 PolarHBondContact O-N 3.34Å; L89-S93 VanDerWaalsContact O-CB 3.31Å; L89-S93 WeakPolarHBondContact O-CB 3.14Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 2.91Å
90	F	50.1	Low	48.4	Very low	71 Å²	71	90.3 Å²	90.3	31%	0.311	48%	0.479	S	S	.	.	H	α-helix	trans	-72	-44.3	177.9	-171	-107.8	0	0	0	112.3	V67 F70 T86 I88 S93 Q94	V67-F90 HydrophobicContact CG1-CZ 4.4Å; F70-F90 HydrophobicContact CD1-CD2 4.43Å; F70-F90 HydrophobicContact CD1-CE2 4.09Å; F70-F90 HydrophobicContact CD1-CZ 4.15Å; F70-F90 HydrophobicContact CE1-CD1 4.47Å; F70-F90 AromaticContact CE1-CD2 3.73Å; F70-F90 HydrophobicContact CE1-CD2 3.73Å; F70-F90 AromaticContact CE1-CE2 3.84Å; F70-F90 HydrophobicContact CE1-CE2 3.84Å; F70-F90 HydrophobicContact CE1-CG 4.06Å; F70-F90 HydrophobicContact CE1-CZ 4.23Å; T86-F90 WeakPolarHBondContact O-CB 3.35Å; T86-F90 PolarHBondContact O-N 3.19Å; I88-F90 VanDerWaalsContact C-N 3.35Å; I88-F90 PolarHBondContact O-N 3.3Å; F90-S93 PolarHBondContact O-N 3.13Å; F90-Q94 HydrophobicContact CE1-CG 4.41Å; F90-Q94 WeakPolarHBondContact O-CG 3.34Å; F90-Q94 PolarHBondContact O-N 3.02Å
91	K	51.7	Low	48.4	Very low	139 Å²	139	91.8 Å²	91.8	60%	0.604	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-47.6	173.6	-92	-166.3	171.9	-169.1	0	112.1	L87 S93 Q94 E95	L87-K91 PolarHBondContact O-N 3.41Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 2.95Å; K91-Q94 PolarHBondContact O-N 3.27Å; K91-Q94 VanDerWaalsContact O-N 3.15Å; K91-E95 WeakPolarHBondContact O-CB 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.28Å; K91-E95 PolarHBondContact O-N 3.22Å
92	A	52.3	Low	48.9	Very low	40 Å²	40	94.3 Å²	94.3	33%	0.331	50%	0.502	S	S	.	.	H	α-helix	trans	-59.9	-39.6	177.3	0	0	0	0	0	111.8	I88 I96	I88-A92 VanDerWaalsContact O-CB 3.26Å; I88-A92 WeakPolarHBondContact O-CB 3.46Å; I88-A92 PolarHBondContact O-N 3Å; A92-I96 WeakPolarHBondContact O-CB 3.35Å; A92-I96 WeakPolarHBondContact O-CD1 3.33Å; A92-I96 WeakPolarHBondContact O-CG1 3.05Å; A92-I96 PolarHBondContact O-N 3.42Å
93	S	52.4	Low	49.1	Very low	75 Å²	75	94.4 Å²	94.4	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-67.6	-36.5	176.7	-58.9	0	0	0	0	112.7	L89 F90 K91 A97	L89-S93 VanDerWaalsContact O-CB 3.31Å; L89-S93 WeakPolarHBondContact O-CB 3.14Å; L89-S93 PolarHBondContact O-N 2.85Å; L89-S93 PolarHBondContact O-OG 2.91Å; F90-S93 PolarHBondContact O-N 3.13Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 2.95Å; S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.37Å; S93-A97 PolarHBondContact O-N 2.99Å
94	Q	52.8	Low	49.1	Very low	83 Å²	83	98.7 Å²	98.7	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-70.8	-41.9	175.2	-73.2	-154.6	19.3	0	0	112.5	F90 K91 I96 A97 Q98	F90-Q94 HydrophobicContact CE1-CG 4.41Å; F90-Q94 WeakPolarHBondContact O-CG 3.34Å; F90-Q94 PolarHBondContact O-N 3.02Å; K91-Q94 PolarHBondContact O-N 3.27Å; K91-Q94 VanDerWaalsContact O-N 3.15Å; Q94-I96 VanDerWaalsContact C-N 3.34Å; Q94-I96 PolarHBondContact O-N 3Å; Q94-A97 PolarHBondContact O-N 3.45Å; Q94-Q98 WeakPolarHBondContact O-CG 3.36Å; Q94-Q98 PolarHBondContact O-N 2.97Å
95	E	49.2	Very low	48.9	Very low	116 Å²	116	100.4 Å²	100.4	54%	0.542	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-39.1	176.9	-72.2	173.1	-166.6	0	0	111.1	K91 Q98 M99	K91-E95 WeakPolarHBondContact O-CB 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.28Å; K91-E95 PolarHBondContact O-N 3.22Å; E95-Q98 PolarHBondContact O-N 3.5Å; E95-M99 WeakPolarHBondContact O-CG 3.39Å; E95-M99 PolarHBondContact O-N 3.24Å
96	I	51.3	Low	48.9	Very low	105 Å²	105	104.4 Å²	104.4	54%	0.538	54%	0.543	S	S	.	.	H	α-helix	trans	-69	-36.6	174.4	-67.9	165.4	0	0	0	112	A92 Q94 Q98 M99	A92-I96 WeakPolarHBondContact O-CB 3.35Å; A92-I96 WeakPolarHBondContact O-CD1 3.33Å; A92-I96 WeakPolarHBondContact O-CG1 3.05Å; A92-I96 PolarHBondContact O-N 3.42Å; Q94-I96 VanDerWaalsContact C-N 3.34Å; Q94-I96 PolarHBondContact O-N 3Å; I96-Q98 VanDerWaalsContact C-N 3.32Å; I96-M99 PolarHBondContact O-N 2.77Å
97	A	50.6	Low	49	Very low	74 Å²	74	107.7 Å²	107.7	61%	0.612	56%	0.558	S	S	*	*	H	α-helix	trans	-70.7	-26.8	177.2	0	0	0	0	0	113	S93 Q94	S93-A97 VanDerWaalsContact O-CB 3.28Å; S93-A97 WeakPolarHBondContact O-CB 3.37Å; S93-A97 PolarHBondContact O-N 2.99Å; Q94-A97 PolarHBondContact O-N 3.45Å
98	Q	46.5	Very low	49.3	Very low	146 Å²	146	110.8 Å²	110.8	68%	0.682	57%	0.573	S	S	*	*	H	α-helix	trans	-85.7	-13.8	176.3	-70.8	177.5	6.2	0	0	113.7	Q94 E95 I96 K100	Q94-Q98 WeakPolarHBondContact O-CG 3.36Å; Q94-Q98 PolarHBondContact O-N 2.97Å; E95-Q98 PolarHBondContact O-N 3.5Å; I96-Q98 VanDerWaalsContact C-N 3.32Å; Q98-K100 VanDerWaalsContact C-N 3.32Å
99	M	50.2	Low	49.2	Very low	129 Å²	129	115.6 Å²	115.6	64%	0.635	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	17.4	176.8	-77.3	-173.5	158.2	0	0	113.9	E95 I96	E95-M99 WeakPolarHBondContact O-CG 3.39Å; E95-M99 PolarHBondContact O-N 3.24Å; I96-M99 PolarHBondContact O-N 2.77Å
100	K	43.8	Very low	49.2	Very low	186 Å²	186	115.8 Å²	115.8	81%	0.809	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	16.9	-177.5	-99.1	-169.2	177.5	-172.4	0	115.6	Q98	Q98-K100 VanDerWaalsContact C-N 3.32Å
101	D	39.5	Very low	49.1	Very low	225 Å²	225	119.8 Å²	119.8	100%	1.203	62%	0.624	S	S	*	*			trans	-111.6	0	154	-96.4	-45.5	0	0	0	108.6

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