A0A2K5NAT1_CERAT Loading...

Pro-MCH

AlphaFold DB , UniProt , Accession A0A2K5NAT1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PMCH, Length 165 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.2	Very low	68.8	Low	247 Å²	247	130.3 Å²	130.3	100%	1.217	69%	0.686	S	S	*	*				0	105.4	0	-105.4	171.3	-176.2	0	0	107.9	K3	M1-K3 PolarHBondContact O-N 3.13Å
2	A	58.7	Low	70.1	Confident	98 Å²	98	127.9 Å²	127.9	81%	0.81	67%	0.672	S	S	*	*			trans	-69	120	177.8	0	0	0	0	0	108.7	M4	A2-M4 VanDerWaalsContact C-N 3.32Å; A2-M4 PolarHBondContact O-N 3.46Å
3	K	62.7	Low	71.2	Confident	201 Å²	201	124.6 Å²	124.6	87%	0.874	66%	0.655	S	S	*	*			trans	-70.9	93.2	170.5	-119.5	167	172	162.3	0	106.4	M1 N5	M1-K3 PolarHBondContact O-N 3.13Å; K3-N5 PolarHBondContact O-N 3.3Å
4	M	63.3	Low	72.2	Confident	137 Å²	137	121.1 Å²	121.1	68%	0.675	64%	0.641	S	S	*	*			trans	-61.5	108.9	169.2	-75.2	163.1	66	0	0	106.4	A2 L6	A2-M4 VanDerWaalsContact C-N 3.32Å; A2-M4 PolarHBondContact O-N 3.46Å; M4-L6 PolarHBondContact O-N 3.37Å
5	N	67.3	Low	72.8	Confident	121 Å²	121	123 Å²	123	65%	0.647	64%	0.642	S	S	*	*			trans	-57.4	124.8	176.8	-75.7	-35.6	0	0	0	107.5	K3 S7 S8	K3-N5 PolarHBondContact O-N 3.3Å; N5-S7 PolarHBondContact O-N 3.17Å; N5-S8 PolarHBondContact O-N 3.32Å; N5-S8 PolarHBondContact O-OG 2.88Å
6	L	63.1	Low	73.3	Confident	151 Å²	151	118.5 Å²	118.5	79%	0.791	62%	0.624	S	S	*	*	H	α-helix	trans	-50.4	-30.4	-178.7	-74.9	156.9	0	0	0	112.3	M4 Y9 I10	M4-L6 PolarHBondContact O-N 3.37Å; L6-Y9 PolarHBondContact O-N 3.4Å; L6-I10 PolarHBondContact O-N 2.95Å
7	S	71.1	Confident	73.6	Confident	79 Å²	79	117.9 Å²	117.9	55%	0.552	62%	0.621	S	S	*	*	H	α-helix	trans	-60	-40.9	172.8	176	0	0	0	0	113.8	N5 Y9 I10 L11	N5-S7 PolarHBondContact O-N 3.17Å; S7-Y9 VanDerWaalsContact C-N 3.3Å; S7-Y9 PolarHBondContact O-N 3.31Å; S7-I10 PolarHBondContact O-N 3.42Å; S7-L11 WeakPolarHBondContact O-CG 3.34Å; S7-L11 PolarHBondContact O-N 3.02Å
8	S	75.1	Confident	73.8	Confident	45 Å²	45	118.7 Å²	118.7	32%	0.315	62%	0.618	S	S	.	*	H	α-helix	trans	-69.3	-30.6	179.2	66.7	0	0	0	0	112.2	N5 L11 I12	N5-S8 PolarHBondContact O-N 3.32Å; N5-S8 PolarHBondContact O-OG 2.88Å; S8-L11 PolarHBondContact O-N 3.41Å; S8-I12 WeakPolarHBondContact O-CD1 3.35Å; S8-I12 WeakPolarHBondContact O-CG1 3.21Å; S8-I12 PolarHBondContact O-N 3.47Å
9	Y	82.6	Confident	73.5	Confident	138 Å²	138	115.8 Å²	115.8	54%	0.541	61%	0.609	S	S	.	*	H	α-helix	trans	-66.4	-42.2	176.2	-173.3	-101.2	0	0	0	111.6	L6 S7 L11 I12 L13	L6-Y9 PolarHBondContact O-N 3.4Å; S7-Y9 VanDerWaalsContact C-N 3.3Å; S7-Y9 PolarHBondContact O-N 3.31Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-L11 PolarHBondContact O-N 3.48Å; Y9-I12 PolarHBondContact O-N 3.18Å; Y9-L13 HydrophobicContact CE1-CD1 4.34Å; Y9-L13 WeakPolarHBondContact O-CB 3.21Å; Y9-L13 PolarHBondContact O-N 3.47Å
10	I	84.6	Confident	73.2	Confident	105 Å²	105	116.7 Å²	116.7	54%	0.538	61%	0.61	S	S	.	*	H	α-helix	trans	-62.9	-42.6	176.2	-62.6	169.8	0	0	0	110.6	L6 S7 I12 L13 T14	L6-I10 PolarHBondContact O-N 2.95Å; S7-I10 PolarHBondContact O-N 3.42Å; I10-I12 PolarHBondContact O-N 2.73Å; I10-L13 PolarHBondContact O-N 3.03Å; I10-T14 HydrophobicContact CG2-CG2 4.42Å; I10-T14 WeakPolarHBondContact O-CG2 3.43Å; I10-T14 PolarHBondContact O-N 2.91Å; I10-T14 PolarHBondContact O-OG1 3.45Å
11	L	83.7	Confident	72.6	Confident	111 Å²	111	112.9 Å²	112.9	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-64	-39.5	177.8	-68	173.6	0	0	0	112.9	S7 S8 Y9 T14 F15	S7-L11 WeakPolarHBondContact O-CG 3.34Å; S7-L11 PolarHBondContact O-N 3.02Å; S8-L11 PolarHBondContact O-N 3.41Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-L11 PolarHBondContact O-N 3.48Å; L11-T14 PolarHBondContact O-OG1 3.5Å; L11-F15 WeakPolarHBondContact O-CB 3.21Å; L11-F15 PolarHBondContact O-N 3.46Å; L11-F15 VanDerWaalsContact O-N 3.07Å
12	I	85.1	Confident	73.3	Confident	102 Å²	102	105.5 Å²	105.5	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-68.5	-39.3	176.3	-66.3	161.8	0	0	0	110.4	S8 Y9 I10 S16	S8-I12 WeakPolarHBondContact O-CD1 3.35Å; S8-I12 WeakPolarHBondContact O-CG1 3.21Å; S8-I12 PolarHBondContact O-N 3.47Å; Y9-I12 PolarHBondContact O-N 3.18Å; I10-I12 PolarHBondContact O-N 2.73Å; I12-S16 VanDerWaalsContact O-CB 3.32Å; I12-S16 WeakPolarHBondContact O-CB 3.4Å; I12-S16 PolarHBondContact O-N 3.31Å; I12-S16 PolarHBondContact O-OG 2.98Å
13	L	84.4	Confident	73	Confident	85 Å²	85	107.8 Å²	107.8	45%	0.445	56%	0.561	S	S	.	*	H	α-helix	trans	-64.3	-46.6	178.7	-161.3	93.6	0	0	0	111.4	Y9 I10 S16 L17	Y9-L13 HydrophobicContact CE1-CD1 4.34Å; Y9-L13 WeakPolarHBondContact O-CB 3.21Å; Y9-L13 PolarHBondContact O-N 3.47Å; I10-L13 PolarHBondContact O-N 3.03Å; L13-S16 PolarHBondContact O-N 3.03Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 2.84Å
14	T	84.7	Confident	72.4	Confident	75 Å²	75	105.3 Å²	105.3	46%	0.46	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-40.3	178.6	55.5	0	0	0	0	112	I10 L11 S16 L17 F18	I10-T14 HydrophobicContact CG2-CG2 4.42Å; I10-T14 WeakPolarHBondContact O-CG2 3.43Å; I10-T14 PolarHBondContact O-N 2.91Å; I10-T14 PolarHBondContact O-OG1 3.45Å; L11-T14 PolarHBondContact O-OG1 3.5Å; T14-S16 VanDerWaalsContact C-N 3.31Å; T14-S16 PolarHBondContact O-N 3.36Å; T14-L17 PolarHBondContact O-N 3.49Å; T14-F18 VanDerWaalsContact O-CB 3.25Å; T14-F18 WeakPolarHBondContact O-CB 3.35Å; T14-F18 PolarHBondContact O-N 2.95Å
15	F	81.6	Confident	71.5	Confident	150 Å²	150	104.1 Å²	104.1	66%	0.658	56%	0.562	S	S	*	*	H	α-helix	trans	-64.1	-38	175.6	-169.6	-99.8	0	0	0	111.9	L11 F18 S19	L11-F15 WeakPolarHBondContact O-CB 3.21Å; L11-F15 PolarHBondContact O-N 3.46Å; L11-F15 VanDerWaalsContact O-N 3.07Å; F15-F18 PolarHBondContact O-N 3.2Å; F15-S19 WeakPolarHBondContact O-CB 3.38Å; F15-S19 PolarHBondContact O-N 2.79Å; F15-S19 PolarHBondContact O-OG 3.17Å
16	S	80.1	Confident	70.2	Confident	51 Å²	51	103 Å²	103	36%	0.357	57%	0.57	S	S	.	*	H	α-helix	trans	-64.8	-47.2	176.1	-60.7	0	0	0	0	111.3	I12 L13 T14 F18 S19 Q20	I12-S16 VanDerWaalsContact O-CB 3.32Å; I12-S16 WeakPolarHBondContact O-CB 3.4Å; I12-S16 PolarHBondContact O-N 3.31Å; I12-S16 PolarHBondContact O-OG 2.98Å; L13-S16 PolarHBondContact O-N 3.03Å; T14-S16 VanDerWaalsContact C-N 3.31Å; T14-S16 PolarHBondContact O-N 3.36Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 PolarHBondContact O-N 3.42Å; S16-S19 PolarHBondContact O-N 2.94Å; S16-S19 PolarHBondContact O-OG 3.35Å; S16-Q20 WeakPolarHBondContact O-CG 3.32Å; S16-Q20 PolarHBondContact O-N 3.34Å
17	L	79.6	Confident	69.2	Low	108 Å²	108	99.4 Å²	99.4	57%	0.565	56%	0.557	S	S	*	*	H	α-helix	trans	-64.3	-38	175.9	-69	171.7	0	0	0	112.4	L13 T14 Q20 G21	L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 2.84Å; T14-L17 PolarHBondContact O-N 3.49Å; L17-Q20 PolarHBondContact O-N 3.43Å; L17-G21 PolarHBondContact O-N 3.35Å
18	F	76.3	Confident	68.1	Low	133 Å²	133	105.8 Å²	105.8	58%	0.583	58%	0.575	S	S	*	*	H	α-helix	trans	-67.7	-43.3	177.1	-170.7	-115.7	0	0	0	111.5	T14 F15 S16 Q20 G21 I22	T14-F18 VanDerWaalsContact O-CB 3.25Å; T14-F18 WeakPolarHBondContact O-CB 3.35Å; T14-F18 PolarHBondContact O-N 2.95Å; F15-F18 PolarHBondContact O-N 3.2Å; S16-F18 VanDerWaalsContact C-N 3.35Å; S16-F18 PolarHBondContact O-N 3.42Å; F18-Q20 PolarHBondContact O-N 3.04Å; F18-G21 PolarHBondContact O-N 3.2Å; F18-G21 VanDerWaalsContact O-N 3.16Å; F18-I22 HydrophobicContact CD1-CD1 3.41Å; F18-I22 VanDerWaalsContact CD1-CD1 3.41Å; F18-I22 HydrophobicContact CD1-CG1 4.19Å; F18-I22 HydrophobicContact CD2-CD1 4.28Å; F18-I22 HydrophobicContact CD2-CG1 4.16Å; F18-I22 HydrophobicContact CE1-CD1 3.21Å; F18-I22 HydrophobicContact CE1-CG1 3.98Å; F18-I22 HydrophobicContact CE2-CD1 4.11Å; F18-I22 HydrophobicContact CE2-CG1 3.93Å; F18-I22 HydrophobicContact CG-CD1 3.95Å; F18-I22 HydrophobicContact CG-CG1 4.28Å; F18-I22 HydrophobicContact CZ-CD1 3.58Å; F18-I22 HydrophobicContact CZ-CG1 3.83Å; F18-I22 WeakPolarHBondContact O-CD1 3.33Å; F18-I22 WeakPolarHBondContact O-CG1 3.46Å; F18-I22 PolarHBondContact O-N 3.28Å
19	S	69.3	Low	66.8	Low	64 Å²	64	108.1 Å²	108.1	45%	0.448	59%	0.592	S	S	.	*	H	α-helix	trans	-60.5	-32.4	176.4	75.3	0	0	0	0	113.4	F15 S16	F15-S19 WeakPolarHBondContact O-CB 3.38Å; F15-S19 PolarHBondContact O-N 2.79Å; F15-S19 PolarHBondContact O-OG 3.17Å; S16-S19 PolarHBondContact O-N 2.94Å; S16-S19 PolarHBondContact O-OG 3.35Å
20	Q	65.7	Low	65.2	Low	133 Å²	133	108.5 Å²	108.5	62%	0.621	60%	0.601	S	S	*	*	H	α-helix	trans	-82.3	-35.6	175.3	-67.5	176.8	7.8	0	0	112	S16 L17 F18	S16-Q20 WeakPolarHBondContact O-CG 3.32Å; S16-Q20 PolarHBondContact O-N 3.34Å; L17-Q20 PolarHBondContact O-N 3.43Å; F18-Q20 PolarHBondContact O-N 3.04Å
21	G	62.4	Low	63.6	Low	37 Å²	37	111.5 Å²	111.5	38%	0.381	61%	0.606	S	S	.	*	H	α-helix	trans	-77.2	-21.5	-177.3	0	0	0	0	0	115.3	L17 F18 L23 L24	L17-G21 PolarHBondContact O-N 3.35Å; F18-G21 PolarHBondContact O-N 3.2Å; F18-G21 VanDerWaalsContact O-N 3.16Å; G21-L23 PolarHBondContact O-N 2.94Å; G21-L24 PolarHBondContact O-N 3.5Å
22	I	57.8	Low	62	Low	92 Å²	92	113.8 Å²	113.8	47%	0.472	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-69	-18.4	177.8	-65.9	159	0	0	0	112.3	F18 L24	F18-I22 HydrophobicContact CD1-CD1 3.41Å; F18-I22 VanDerWaalsContact CD1-CD1 3.41Å; F18-I22 HydrophobicContact CD1-CG1 4.19Å; F18-I22 HydrophobicContact CD2-CD1 4.28Å; F18-I22 HydrophobicContact CD2-CG1 4.16Å; F18-I22 HydrophobicContact CE1-CD1 3.21Å; F18-I22 HydrophobicContact CE1-CG1 3.98Å; F18-I22 HydrophobicContact CE2-CD1 4.11Å; F18-I22 HydrophobicContact CE2-CG1 3.93Å; F18-I22 HydrophobicContact CG-CD1 3.95Å; F18-I22 HydrophobicContact CG-CG1 4.28Å; F18-I22 HydrophobicContact CZ-CD1 3.58Å; F18-I22 HydrophobicContact CZ-CG1 3.83Å; F18-I22 WeakPolarHBondContact O-CD1 3.33Å; F18-I22 WeakPolarHBondContact O-CG1 3.46Å; F18-I22 PolarHBondContact O-N 3.28Å; I22-L24 PolarHBondContact O-N 2.94Å
23	L	52	Low	60.3	Low	145 Å²	145	116.2 Å²	116.2	76%	0.759	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-68.4	-16.8	173.4	-83.1	139.2	0	0	0	113.7	G21	G21-L23 PolarHBondContact O-N 2.94Å
24	L	51.6	Low	58.7	Low	149 Å²	149	116 Å²	116	78%	0.78	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-95.3	-12.8	-176.8	-78.5	157.9	0	0	0	114.2	G21 I22	G21-L24 PolarHBondContact O-N 3.5Å; I22-L24 PolarHBondContact O-N 2.94Å
25	S	43.5	Very low	57.1	Low	113 Å²	113	117.3 Å²	117.3	79%	0.79	64%	0.636	S	S	*	*	S	Bend	trans	-99.2	-0.8	-171.4	-162.1	0	0	0	0	115.3
26	A	39.9	Very low	55.7	Low	98 Å²	98	115.3 Å²	115.3	81%	0.81	63%	0.632	S	S	*	*	S	Bend	trans	-110.1	-5.8	173.1	0	0	0	0	0	114.1	K28	A26-K28 PolarHBondContact O-N 2.99Å
27	S	43.1	Very low	54.5	Low	75 Å²	75	118.9 Å²	118.9	52%	0.524	64%	0.644	S	S	.	*			trans	-103.4	66.5	-179.1	-143.7	0	0	0	0	110.9	S29	S27-S29 PolarHBondContact O-N 2.73Å
28	K	46.2	Very low	53.5	Low	213 Å²	213	118.2 Å²	118.2	93%	0.926	64%	0.644	S	S	*	*	S	Bend	trans	-82.1	15.1	174.1	-143.4	173.7	-174.2	170	0	113.3	A26	A26-K28 PolarHBondContact O-N 2.99Å
29	S	47.9	Very low	52.6	Low	94 Å²	94	119.2 Å²	119.2	66%	0.657	65%	0.649	S	S	*	*	S	Bend	trans	-160.4	138.8	176.7	-172.6	0	0	0	0	108	S27	S27-S29 PolarHBondContact O-N 2.73Å
30	I	50.7	Low	51.9	Low	145 Å²	145	120.5 Å²	120.5	74%	0.744	65%	0.651	S	S	*	*	S	Bend	trans	70.2	87.4	-177.8	-65.8	162	0	0	0	113.3
31	R	49.4	Very low	51.4	Low	168 Å²	168	118.8 Å²	118.8	63%	0.634	65%	0.649	S	S	*	*			trans	171.5	65.6	141.3	-93.5	172	106.2	160.3	5.5	108.4
32	N	51	Low	51.1	Low	160 Å²	160	125.4 Å²	125.4	86%	0.856	67%	0.668	S	S	*	*	S	Bend	trans	-108	13.3	169.8	-75.7	-50.6	0	0	0	111.8
33	L	48.3	Very low	50.7	Low	153 Å²	153	130.7 Å²	130.7	80%	0.801	68%	0.682	S	S	*	*	S	Bend	trans	-113.2	-30.4	-175	-148.2	142.9	0	0	0	113
34	D	52.1	Low	50.6	Low	80 Å²	80	130 Å²	130	43%	0.428	68%	0.678	S	S	.	*	H	α-helix	trans	-83.4	-32.6	178.3	-71.9	-41.5	0	0	0	113.4	D36 M37 V38	D34-D36 VanDerWaalsContact C-N 3.35Å; D34-D36 PolarHBondContact O-N 3.32Å; D34-M37 PolarHBondContact O-N 2.78Å; D34-V38 WeakPolarHBondContact O-CG2 3.38Å; D34-V38 PolarHBondContact O-N 3.48Å
35	D	51.6	Low	50.5	Low	103 Å²	103	126.1 Å²	126.1	55%	0.551	67%	0.674	S	S	*	*	H	α-helix	trans	-73	-27.1	-175.9	-74.6	-29.7	0	0	0	112.7	M37 V38 F39	D35-M37 PolarHBondContact O-N 3.39Å; D35-V38 PolarHBondContact O-N 3.2Å; D35-F39 WeakPolarHBondContact O-CB 3.25Å; D35-F39 PolarHBondContact O-N 3.43Å
36	D	51.1	Low	50.8	Low	108 Å²	108	130.3 Å²	130.3	58%	0.578	68%	0.678	S	S	*	*	H	α-helix	trans	-69	-35.7	179.2	-156.2	34	0	0	0	111.3	D34 N40	D34-D36 VanDerWaalsContact C-N 3.35Å; D34-D36 PolarHBondContact O-N 3.32Å; D36-N40 WeakPolarHBondContact O-CB 3.36Å; D36-N40 VanDerWaalsContact O-CG 3.29Å; D36-N40 PolarHBondContact O-N 2.64Å; D36-N40 PolarHBondContact O-ND2 3.07Å; D36-N40 PolarHBondContact OD1-ND2 3.04Å
37	M	55.7	Low	51.2	Low	126 Å²	126	129 Å²	129	62%	0.621	67%	0.667	S	S	*	*	H	α-helix	trans	-72	-39	176.6	-176	176.1	57.4	0	0	112.6	D34 D35 T41	D34-M37 PolarHBondContact O-N 2.78Å; D35-M37 PolarHBondContact O-N 3.39Å; M37-T41 PolarHBondContact O-N 3.01Å; M37-T41 PolarHBondContact O-OG1 3.47Å
38	V	58.4	Low	51.2	Low	93 Å²	93	135.2 Å²	135.2	56%	0.564	69%	0.685	S	S	*	*	H	α-helix	trans	-74.1	-38.7	-179.3	-179.5	0	0	0	0	111	D34 D35 T41 F42	D34-V38 WeakPolarHBondContact O-CG2 3.38Å; D34-V38 PolarHBondContact O-N 3.48Å; D35-V38 PolarHBondContact O-N 3.2Å; V38-T41 PolarHBondContact O-N 2.84Å; V38-F42 PolarHBondContact O-N 2.88Å
39	F	56.5	Low	51.1	Low	155 Å²	155	134.3 Å²	134.3	68%	0.68	68%	0.684	S	S	*	*	H	α-helix	trans	-72.5	-36.1	177	-144.3	-90.5	0	0	0	112.3	D35 T41 F42 R43	D35-F39 WeakPolarHBondContact O-CB 3.25Å; D35-F39 PolarHBondContact O-N 3.43Å; F39-T41 VanDerWaalsContact C-N 3.33Å; F39-T41 PolarHBondContact O-N 3.39Å; F39-F42 PolarHBondContact O-N 3.43Å; F39-R43 PolarHBondContact O-N 2.86Å
40	N	55.6	Low	50.5	Low	91 Å²	91	139.6 Å²	139.6	49%	0.487	70%	0.695	S	S	.	*	H	α-helix	trans	-62.5	-38.5	172.1	-85	-56.7	0	0	0	112.1	D36 R43 L44	D36-N40 WeakPolarHBondContact O-CB 3.36Å; D36-N40 VanDerWaalsContact O-CG 3.29Å; D36-N40 PolarHBondContact O-N 2.64Å; D36-N40 PolarHBondContact O-ND2 3.07Å; D36-N40 PolarHBondContact OD1-ND2 3.04Å; N40-R43 PolarHBondContact O-N 3.08Å; N40-L44 WeakPolarHBondContact O-CB 3.15Å; N40-L44 PolarHBondContact O-N 2.99Å
41	T	54.1	Low	50.1	Low	96 Å²	96	141 Å²	141	59%	0.589	70%	0.698	S	S	*	*	H	α-helix	trans	-66.2	-38.6	176.3	-56.5	0	0	0	0	112	M37 V38 F39 R43 L44 G45	M37-T41 PolarHBondContact O-N 3.01Å; M37-T41 PolarHBondContact O-OG1 3.47Å; V38-T41 PolarHBondContact O-N 2.84Å; F39-T41 VanDerWaalsContact C-N 3.33Å; F39-T41 PolarHBondContact O-N 3.39Å; T41-R43 VanDerWaalsContact C-N 3.34Å; T41-L44 PolarHBondContact O-N 3.46Å; T41-G45 PolarHBondContact O-N 3.26Å
42	F	56.9	Low	49.4	Very low	177 Å²	177	139.8 Å²	139.8	78%	0.776	71%	0.705	S	S	*	*	H	α-helix	trans	-70.1	-30.6	176.8	-155.2	-95.4	0	0	0	112.6	V38 F39	V38-F42 PolarHBondContact O-N 2.88Å; F39-F42 PolarHBondContact O-N 3.43Å
43	R	49.6	Very low	48.7	Very low	203 Å²	203	138.9 Å²	138.9	77%	0.766	71%	0.705	S	S	*	*	H	α-helix	trans	-77.8	-28.8	174.7	-150.9	178.2	-165.5	-126.5	3.2	112.8	F39 N40 T41 G45	F39-R43 PolarHBondContact O-N 2.86Å; N40-R43 PolarHBondContact O-N 3.08Å; T41-R43 VanDerWaalsContact C-N 3.34Å; R43-G45 VanDerWaalsContact C-N 3.32Å
44	L	50.1	Low	47.9	Very low	130 Å²	130	135.7 Å²	135.7	68%	0.681	70%	0.701	S	S	*	*	H	α-helix	trans	-73.4	-22.8	178	-163.9	63	0	0	0	112.9	N40 T41 K46 A47	N40-L44 WeakPolarHBondContact O-CB 3.15Å; N40-L44 PolarHBondContact O-N 2.99Å; T41-L44 PolarHBondContact O-N 3.46Å; L44-K46 PolarHBondContact O-N 2.99Å; L44-K46 VanDerWaalsContact O-N 3.13Å; L44-A47 PolarHBondContact O-N 3.16Å
45	G	49.4	Very low	47.4	Very low	67 Å²	67	141.2 Å²	141.2	69%	0.691	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-0.5	176.3	0	0	0	0	0	116.1	T41 R43	T41-G45 PolarHBondContact O-N 3.26Å; R43-G45 VanDerWaalsContact C-N 3.32Å
46	K	49.9	Very low	46.6	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	21	176.7	-86.1	-149.7	177.1	-174.9	0	114.9	L44	L44-K46 PolarHBondContact O-N 2.99Å; L44-K46 VanDerWaalsContact O-N 3.13Å
47	A	46.7	Very low	45.9	Very low	70 Å²	70	144.1 Å²	144.1	58%	0.579	74%	0.741	S	S	*	*			trans	-112	9.3	-178.9	0	0	0	0	0	115.7	L44	L44-A47 PolarHBondContact O-N 3.16Å
48	F	44.4	Very low	44.7	Very low	206 Å²	206	143.6 Å²	143.6	90%	0.904	75%	0.745	S	S	*	*			trans	-116.7	71.8	177.7	-90.4	-85.5	0	0	0	112.3
49	Q	43.8	Very low	43.7	Very low	193 Å²	193	146.2 Å²	146.2	90%	0.902	75%	0.754	S	S	*	*			trans	-161.5	92.2	149.6	-140.4	-175.7	71.3	0	0	109.2
50	K	35.3	Very low	42.8	Very low	205 Å²	205	143.2 Å²	143.2	89%	0.891	76%	0.758	S	S	*	*				172.1	128.6	118.4	-151.5	169.7	-178.9	-174.2	0	109.9
51	E	41.8	Very low	42.2	Very low	174 Å²	174	145 Å²	145	81%	0.813	77%	0.774	S	S	*	*			trans	-71.1	139.5	-179.4	-164.3	161.7	138.8	0	0	112
52	D	34.5	Very low	41.5	Very low	143 Å²	143	145.1 Å²	145.1	77%	0.765	78%	0.779	S	S	*	*			trans	16.8	113.5	157.8	-61.8	-31.5	0	0	0	119.6
53	T	36.8	Very low	41	Very low	142 Å²	142	145 Å²	145	87%	0.871	79%	0.786	S	S	*	*				-173	126.3	128.2	12.2	0	0	0	0	111.8
54	A	31.1	Very low	40.4	Very low	86 Å²	86	143.7 Å²	143.7	71%	0.711	79%	0.788	S	S	*	*			trans	64.7	106.2	153.4	0	0	0	0	0	120.4
55	E	41.7	Very low	39.7	Very low	195 Å²	195	145.3 Å²	145.3	91%	0.911	79%	0.793	S	S	*	*				33.8	137.4	125.9	-16	-165.4	-161.2	0	0	120.2
56	E	35.3	Very low	38.7	Very low	178 Å²	178	152.9 Å²	152.9	83%	0.832	80%	0.802	S	S	*	*			trans	106.4	96.6	154.1	-155.1	172	-176.9	0	0	119.1
57	S	36.5	Very low	38.2	Very low	94 Å²	94	149.9 Å²	149.9	66%	0.657	79%	0.789	S	S	*	*				78	144.3	129.5	91.2	0	0	0	0	122.7
58	V	30.4	Very low	37.8	Very low	115 Å²	115	154.3 Å²	154.3	70%	0.697	80%	0.803	S	S	*	*			trans	91.5	100.6	141.3	178.4	0	0	0	0	119.3
59	I	37.7	Very low	37.5	Very low	149 Å²	149	150.4 Å²	150.4	76%	0.764	79%	0.791	S	S	*	*				52.3	114.5	128.6	-51.8	170.2	0	0	0	118.1
60	A	37.8	Very low	37.5	Very low	91 Å²	91	150.2 Å²	150.2	75%	0.752	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68.9	136.5	163.3	0	0	0	0	0	111.5
61	P	42.2	Very low	37.9	Very low	128 Å²	128	146 Å²	146	83%	0.831	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-85.9	135.2	174.6	32.2	-29.3	0	0	0	111.5
62	S	39.7	Very low	37.8	Very low	99 Å²	99	143.4 Å²	143.4	69%	0.692	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.9	150.5	178.1	49.9	0	0	0	0	113.3	E64	S62-E64 PolarHBondContact O-N 3.2Å
63	L	46.5	Very low	38	Very low	176 Å²	176	145 Å²	145	92%	0.921	79%	0.788	S	S	*	*			trans	-37	108.1	164.6	-175.8	114.8	0	0	0	114.5
64	E	36	Very low	38.3	Very low	174 Å²	174	144.4 Å²	144.4	81%	0.813	78%	0.777	S	S	*	*			trans	-121.5	99.7	168.7	-77.5	178.6	162.4	0	0	111	S62	S62-E64 PolarHBondContact O-N 3.2Å
65	Q	35.9	Very low	38.8	Very low	165 Å²	165	146.8 Å²	146.8	77%	0.771	78%	0.778	S	S	*	*				27.1	106.4	123.3	-160.7	171.2	1.8	0	0	118.2
66	Y	28.8	Very low	38.9	Very low	226 Å²	226	145.2 Å²	145.2	89%	0.886	77%	0.77	S	S	*	*			trans	-126.2	120.5	148.7	-167.6	-101.1	0	0	0	110.2
67	K	40.3	Very low	39.2	Very low	139 Å²	139	143.5 Å²	143.5	60%	0.604	76%	0.762	S	S	*	*			trans	-67.4	150.3	-179.9	-61.6	-178.8	171.5	-170.3	0	111.3
68	N	36.6	Very low	39.4	Very low	162 Å²	162	146.2 Å²	146.2	87%	0.866	77%	0.765	S	S	*	*			trans	-148.3	129.9	137	-154.1	-0.2	0	0	0	110.5
69	D	37.8	Very low	39.9	Very low	125 Å²	125	146.5 Å²	146.5	67%	0.668	76%	0.762	S	S	*	*			trans	-86.6	142.5	-168	-70	-47	0	0	0	112.3
70	E	44.9	Very low	40.4	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	76%	0.764	S	S	*	*			trans	-8.1	133	149.1	-163.1	169.4	-167	0	0	119.9
71	S	44.2	Very low	41	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	77%	0.768	S	S	*	*			trans	163.7	148.5	147.5	46.6	0	0	0	0	109.4
72	S	38.3	Very low	41.4	Very low	120 Å²	120	150.9 Å²	150.9	84%	0.839	77%	0.766	S	S	*	*			cis	-165.6	160.2	-3.7	48	0	0	0	0	107.7
73	F	39.1	Very low	41.6	Very low	177 Å²	177	154.3 Å²	154.3	78%	0.776	77%	0.769	S	S	*	*			trans	-79.8	155.6	-173.9	-163.2	-126.2	0	0	0	114
74	M	43.5	Very low	41.8	Very low	129 Å²	129	152.7 Å²	152.7	64%	0.635	76%	0.761	S	S	*	*			trans	73.8	123.7	165.5	-55.7	-48.6	-140.5	0	0	122.3
75	N	41.1	Very low	42	Very low	136 Å²	136	151.2 Å²	151.2	73%	0.727	76%	0.764	S	S	*	*				179.8	122.5	106.3	-86	-30.3	0	0	0	108.9
76	E	43.9	Very low	42.7	Very low	162 Å²	162	147.2 Å²	147.2	76%	0.757	77%	0.767	S	S	*	*				76.7	130	92.7	-153.8	169.9	-144.4	0	0	109.8
77	E	41.2	Very low	43.7	Very low	142 Å²	142	141.5 Å²	141.5	66%	0.664	76%	0.76	S	S	*	*			cis	-175.5	159.4	1	168.5	168	-154.3	0	0	105.1
78	E	40.9	Very low	44.4	Very low	152 Å²	152	144.5 Å²	144.5	71%	0.71	77%	0.773	S	S	*	*			trans	38.1	142.3	157.9	-74.2	-172.2	136.8	0	0	123.6
79	N	41.2	Very low	45.2	Very low	120 Å²	120	144.5 Å²	144.5	64%	0.642	77%	0.768	S	S	*	*				123.7	93.6	118.1	-127	-36.8	0	0	0	114.3
80	K	48.8	Very low	45.8	Very low	184 Å²	184	144.7 Å²	144.7	80%	0.8	77%	0.769	S	S	*	*				172.4	106.3	104.9	-92.5	171.9	-177.2	176.2	0	111	S82	K80-S82 PolarHBondContact O-N 3.28Å
81	I	49.5	Very low	46.3	Very low	161 Å²	161	144.6 Å²	144.6	83%	0.826	77%	0.766	S	S	*	*			trans	-64	112.6	152.5	-66.4	164.5	0	0	0	106.6
82	S	50.7	Low	46.6	Very low	115 Å²	115	146.4 Å²	146.4	80%	0.804	77%	0.765	S	S	*	*			trans	-103.3	130.7	164	71.4	0	0	0	0	109.4	K80	K80-S82 PolarHBondContact O-N 3.28Å
83	K	44.1	Very low	47.2	Very low	172 Å²	172	147.5 Å²	147.5	75%	0.748	76%	0.762	S	S	*	*			trans	-80.5	158.9	-163.9	-67.4	167.2	176.3	172.9	0	111.3
84	N	51.4	Low	47.6	Very low	142 Å²	142	148 Å²	148	76%	0.759	77%	0.767	S	S	*	*			trans	-5.2	137.5	158.7	62.3	46.4	0	0	0	118.3
85	T	40.6	Very low	47.8	Very low	142 Å²	142	145 Å²	145	87%	0.871	77%	0.769	S	S	*	*			trans	-148.9	100.2	148.2	2.3	0	0	0	0	106.7
86	G	48.8	Very low	48.1	Very low	81 Å²	81	145.7 Å²	145.7	84%	0.835	77%	0.772	S	S	*	*			trans	-73.3	129.7	166.3	0	0	0	0	0	108.9
87	S	51.7	Low	48.4	Very low	107 Å²	107	142.8 Å²	142.8	75%	0.748	77%	0.767	S	S	*	*			trans	-133.6	93.3	158.9	71.6	0	0	0	0	109.1	H89	S87-H89 PolarHBondContact O-N 2.97Å
88	K	54.4	Low	48.8	Very low	202 Å²	202	142.9 Å²	142.9	88%	0.878	77%	0.771	S	S	*	*			trans	-64.5	119.4	153.6	-91.9	-179.9	171.2	175.7	0	107.4
89	H	52.7	Low	49.3	Very low	162 Å²	162	142.5 Å²	142.5	75%	0.75	77%	0.774	S	S	*	*			trans	-139.4	101.3	154.8	-90.5	-55.9	0	0	0	111	S87	S87-H89 PolarHBondContact O-N 2.97Å
90	N	50.7	Low	49.8	Very low	128 Å²	128	142.9 Å²	142.9	68%	0.684	78%	0.775	S	S	*	*				45.4	110	129.6	-54.6	-27.3	0	0	0	119.4	L92	N90-L92 PolarHBondContact O-N 3.3Å
91	F	55.1	Low	50.1	Low	188 Å²	188	139.1 Å²	139.1	83%	0.825	78%	0.778	S	S	*	*			trans	-12.2	116.6	138.8	-67.3	-95.3	0	0	0	115.5
92	L	51.2	Low	50.3	Low	152 Å²	152	137.6 Å²	137.6	80%	0.796	77%	0.77	S	S	*	*			trans	-135.4	103.9	146.4	-78.5	177.6	0	0	0	109.1	N90 H94	N90-L92 PolarHBondContact O-N 3.3Å; L92-H94 PolarHBondContact O-N 3.45Å
93	N	50	Low	50.3	Low	144 Å²	144	140.7 Å²	140.7	77%	0.77	77%	0.77	S	S	*	*			trans	-56.4	115.9	163.4	-65.2	-79.6	0	0	0	109	G95	N93-G95 VanDerWaalsContact C-N 3.29Å; N93-G95 PolarHBondContact O-N 3.33Å; N93-G95 VanDerWaalsContact O-N 3.15Å
94	H	48.9	Very low	50.6	Low	188 Å²	188	138.1 Å²	138.1	87%	0.87	77%	0.77	S	S	*	*			trans	-82.8	85.2	160.3	-73.2	-67.6	0	0	0	108.4	L92	L92-H94 PolarHBondContact O-N 3.45Å
95	G	45.9	Very low	50.3	Low	66 Å²	66	141.3 Å²	141.3	68%	0.68	77%	0.773	S	S	*	*			trans	-66.9	125.1	163	0	0	0	0	0	110	N93	N93-G95 VanDerWaalsContact C-N 3.29Å; N93-G95 PolarHBondContact O-N 3.33Å; N93-G95 VanDerWaalsContact O-N 3.15Å
96	L	49.3	Very low	50.6	Low	150 Å²	150	142.8 Å²	142.8	79%	0.785	78%	0.775	S	S	*	*			trans	-110.9	100.5	157.7	-164.4	81.9	0	0	0	106.8	L98	L96-L98 PolarHBondContact O-N 3Å
97	P	49.3	Very low	50.8	Low	101 Å²	101	144 Å²	144	66%	0.656	78%	0.777	S	S	*	*			trans	-79.8	102.9	174.2	31.2	-29.9	0	0	0	108	N99	P97-N99 PolarHBondContact O-N 2.91Å
98	L	49.1	Very low	50.4	Low	144 Å²	144	146.9 Å²	146.9	75%	0.754	78%	0.783	S	S	*	*			trans	-68.4	75.2	162.6	-90.1	147.1	0	0	0	108.6	L96 L100	L96-L98 PolarHBondContact O-N 3Å; L98-L100 PolarHBondContact O-N 2.83Å
99	N	51.7	Low	50	Low	144 Å²	144	147.1 Å²	147.1	77%	0.77	78%	0.784	S	S	*	*			trans	-73.7	78.9	160.5	-80.1	-65.2	0	0	0	108	P97	P97-N99 PolarHBondContact O-N 2.91Å
100	L	50.8	Low	49.5	Very low	127 Å²	127	142.8 Å²	142.8	67%	0.665	78%	0.783	S	S	*	*			trans	-95.5	86.8	162.3	-128.5	67.6	0	0	0	107.3	L98 I102	L98-L100 PolarHBondContact O-N 2.83Å; L100-I102 HydrophobicContact CB-CD1 4.3Å; L100-I102 HydrophobicContact CB-CG1 4.42Å; L100-I102 HydrophobicContact CD2-CD1 3.53Å; L100-I102 HydrophobicContact CD2-CG1 4.36Å; L100-I102 HydrophobicContact CG-CD1 3.88Å; L100-I102 HydrophobicContact CG-CG1 4.17Å; L100-I102 PolarHBondContact O-N 2.95Å
101	A	55.7	Low	49.3	Very low	105 Å²	105	142.3 Å²	142.3	87%	0.868	79%	0.79	S	S	*	*			trans	-63	88.7	166.2	0	0	0	0	0	108.8
102	I	54.9	Low	48.7	Very low	129 Å²	129	140.6 Å²	140.6	66%	0.662	79%	0.794	S	S	*	*			trans	-112.4	102.1	171.6	-63	172.2	0	0	0	107	L100	L100-I102 HydrophobicContact CB-CD1 4.3Å; L100-I102 HydrophobicContact CB-CG1 4.42Å; L100-I102 HydrophobicContact CD2-CD1 3.53Å; L100-I102 HydrophobicContact CD2-CG1 4.36Å; L100-I102 HydrophobicContact CG-CD1 3.88Å; L100-I102 HydrophobicContact CG-CG1 4.17Å; L100-I102 PolarHBondContact O-N 2.95Å
103	K	50.6	Low	48.3	Very low	181 Å²	181	137.6 Å²	137.6	79%	0.787	79%	0.792	S	S	*	*			trans	-59.3	134.8	170.7	-72.1	176.6	173.2	179.7	0	109.7	Y105	K103-Y105 HydrophobicContact CB-CD2 4.42Å; K103-Y105 PolarHBondContact O-N 3.4Å
104	P	50.4	Low	48	Very low	117 Å²	117	140.1 Å²	140.1	76%	0.76	80%	0.796	S	S	*	*			trans	-88	100	169.6	33.4	-26.6	0	0	0	108.7
105	Y	45	Very low	48	Very low	209 Å²	209	137.2 Å²	137.2	82%	0.82	79%	0.794	S	S	*	*			trans	-139.1	83.8	161.7	-78.1	-79.3	0	0	0	109.3	K103	K103-Y105 HydrophobicContact CB-CD2 4.42Å; K103-Y105 PolarHBondContact O-N 3.4Å
106	L	47.5	Very low	47.7	Very low	174 Å²	174	138.2 Å²	138.2	91%	0.911	80%	0.796	S	S	*	*			trans	-136.3	86.7	152	-79	178.8	0	0	0	107.9	L108	L106-L108 PolarHBondContact O-N 3.33Å
107	A	51.8	Low	47.3	Very low	105 Å²	105	139.7 Å²	139.7	87%	0.868	80%	0.799	S	S	*	*			trans	-67.5	104.3	156.1	0	0	0	0	0	107.6
108	L	44.4	Very low	47.1	Very low	168 Å²	168	142.6 Å²	142.6	88%	0.88	81%	0.809	S	S	*	*			trans	-115.9	90.9	161.4	-158.6	72.6	0	0	0	109.1	L106 G110	L106-L108 PolarHBondContact O-N 3.33Å; L108-G110 PolarHBondContact O-N 3.46Å
109	K	45.1	Very low	46.8	Very low	207 Å²	207	139.1 Å²	139.1	90%	0.9	81%	0.808	S	S	*	*			trans	-55.5	120.3	158.6	-178.1	175.8	-179.9	179.9	0	108.3
110	G	41.5	Very low	46.1	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	81%	0.808	S	S	*	*			trans	-166.5	84.9	177.3	0	0	0	0	0	111.1	L108	L108-G110 PolarHBondContact O-N 3.46Å
111	S	47.7	Very low	45.4	Very low	117 Å²	117	139.8 Å²	139.8	82%	0.818	81%	0.811	S	S	*	*			trans	-60.4	129.5	171.7	50.3	0	0	0	0	112.4
112	V	41.8	Very low	44.7	Very low	152 Å²	152	142.5 Å²	142.5	92%	0.921	81%	0.811	S	S	*	*			trans	-147.8	140	148.9	-177.9	0	0	0	0	108.9
113	A	43	Very low	44.1	Very low	90 Å²	90	142 Å²	142	74%	0.744	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.6	151.7	-155.6	0	0	0	0	0	116.4
114	F	43.1	Very low	43.8	Very low	196 Å²	196	142.6 Å²	142.6	86%	0.86	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.5	140	160.6	-68.8	-90.5	0	0	0	110
115	P	48.7	Very low	43.5	Very low	128 Å²	128	141.7 Å²	141.7	83%	0.831	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-74.4	143.3	166.8	29.7	-29.5	0	0	0	110.6
116	A	39.9	Very low	43.5	Very low	87 Å²	87	137.8 Å²	137.8	72%	0.719	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.1	145	-167.1	0	0	0	0	0	114.7	N118	A116-N118 PolarHBondContact O-N 3.35Å
117	E	42.3	Very low	43.2	Very low	180 Å²	180	138.6 Å²	138.6	84%	0.841	81%	0.814	S	S	*	*			trans	-39.1	123.2	152.9	61.4	-151.7	177.2	0	0	112.8
118	N	45.3	Very low	42.6	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	81%	0.814	S	S	*	*			trans	-131	105.1	152.2	-81.3	-19.5	0	0	0	105.7	A116	A116-N118 PolarHBondContact O-N 3.35Å
119	G	41	Very low	42.7	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	80%	0.802	S	S	*	*			trans	-65.8	156.4	174	0	0	0	0	0	111.5
120	V	36.9	Very low	42.7	Very low	127 Å²	127	141 Å²	141	77%	0.77	80%	0.795	S	S	*	*			trans	168.3	118.3	133.9	154	0	0	0	0	109.3
121	Q	36.2	Very low	42.7	Very low	158 Å²	158	146.1 Å²	146.1	74%	0.738	80%	0.8	S	S	*	*			trans	59.1	111.6	143	-62.6	172.4	20.4	0	0	120.5	T123	Q121-T123 PolarHBondContact O-N 3.17Å
122	N	42.5	Very low	42.4	Very low	163 Å²	163	148.8 Å²	148.8	87%	0.872	80%	0.803	S	S	*	*			trans	-15	109.4	135.1	-34.8	-25.3	0	0	0	114
123	T	41.2	Very low	42.3	Very low	119 Å²	119	144.3 Å²	144.3	73%	0.73	79%	0.788	S	S	*	*			trans	-145	105.6	152.2	55.3	0	0	0	0	109.4	Q121 S125	Q121-T123 PolarHBondContact O-N 3.17Å; T123-S125 PolarHBondContact O-N 3.26Å
124	E	45.7	Very low	42.6	Very low	192 Å²	192	147 Å²	147	90%	0.897	79%	0.789	S	S	*	*			trans	-38.3	121.4	143.3	174.9	-172.8	156.9	0	0	110.8
125	S	42.5	Very low	42.8	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	79%	0.787	S	S	*	*			trans	-162.2	102.2	149.2	76.3	0	0	0	0	111.5	T123	T123-S125 PolarHBondContact O-N 3.26Å
126	T	45.7	Very low	42.9	Very low	128 Å²	128	148.5 Å²	148.5	79%	0.785	79%	0.788	S	S	*	*				49.3	89.4	125.9	-34.9	0	0	0	0	117.5
127	Q	41	Very low	43.6	Very low	190 Å²	190	151 Å²	151	89%	0.888	79%	0.789	S	S	*	*			trans	-131.5	60.6	143.6	-165.4	171.7	-17.6	0	0	109.6	K129	Q127-K129 PolarHBondContact O-N 2.93Å
128	E	39.7	Very low	43.8	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	79%	0.787	S	S	*	*			trans	-78.7	102.2	157.9	-173.3	-173.9	159.4	0	0	107.2
129	K	46.8	Very low	44.1	Very low	146 Å²	146	142.5 Å²	142.5	64%	0.635	77%	0.766	S	S	*	*			trans	-141.2	96.8	165.5	-170.1	-179.8	175.8	-164	0	109.5	Q127	Q127-K129 PolarHBondContact O-N 2.93Å
130	R	43.6	Very low	44.6	Very low	198 Å²	198	148.2 Å²	148.2	75%	0.747	77%	0.77	S	S	*	*			trans	77.4	99.2	156.5	-58.8	178.2	-149.9	173	-0.3	117.4
131	E	43	Very low	45.3	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	76%	0.764	S	S	*	*				39.8	107	107.9	-164.4	-177.8	-150	0	0	117.2
132	I	40.4	Very low	45.9	Very low	173 Å²	173	147.7 Å²	147.7	89%	0.887	77%	0.768	S	S	*	*				-158.2	110.1	122.3	-75.8	127.4	0	0	0	102.2
133	G	39.5	Very low	46.5	Very low	58 Å²	58	143.7 Å²	143.7	60%	0.598	75%	0.746	S	S	*	*				102.6	99.3	84	0	0	0	0	0	107.3
134	D	50.3	Low	47.2	Very low	146 Å²	146	140 Å²	140	78%	0.781	73%	0.732	S	S	*	*			trans	2.5	114.1	155.3	-165.4	11.3	0	0	0	117.4
135	E	45.9	Very low	47.8	Very low	173 Å²	173	142 Å²	142	81%	0.808	73%	0.731	S	S	*	*			trans	-167	86.4	148.3	44.4	-166.6	-161.1	0	0	110.6	N137	E135-N137 VanDerWaalsContact C-N 3.26Å; E135-N137 PolarHBondContact O-N 3.45Å
136	E	51.2	Low	48.7	Very low	183 Å²	183	147.3 Å²	147.3	86%	0.855	74%	0.736	S	S	*	*			trans	1.7	57.9	135.8	60.5	-169.5	161.7	0	0	120
137	N	54.1	Low	49.4	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	72%	0.715	S	S	*	*			trans	-155	76.1	155.9	-152.7	-17.8	0	0	0	111.4	E135 A139	E135-N137 VanDerWaalsContact C-N 3.26Å; E135-N137 PolarHBondContact O-N 3.45Å; N137-A139 PolarHBondContact O-N 3.17Å
138	S	47.2	Very low	50.3	Low	114 Å²	114	141 Å²	141	80%	0.797	70%	0.698	S	S	*	*			trans	-73	63.8	170	-170.3	0	0	0	0	110.2	K140	S138-K140 PolarHBondContact O-N 3.45Å
139	A	51.3	Low	51.4	Low	51 Å²	51	136.6 Å²	136.6	42%	0.421	68%	0.68	S	S	.	*			trans	-69.9	85.8	154.2	0	0	0	0	0	106.1	N137 F141	N137-A139 PolarHBondContact O-N 3.17Å; A139-F141 HydrophobicContact CB-CD2 3.94Å; A139-F141 HydrophobicContact CB-CE2 3.48Å; A139-F141 VanDerWaalsContact CB-CE2 3.48Å; A139-F141 HydrophobicContact CB-CZ 4.07Å; A139-F141 WeakPolarHBondContact O-CD2 3.46Å; A139-F141 PolarHBondContact O-N 3.37Å
140	K	51.5	Low	52.1	Low	191 Å²	191	134.5 Å²	134.5	83%	0.83	67%	0.674	S	S	*	*			trans	-63.4	79.6	171.1	-174.2	160.7	-178.9	178.5	0	108.5	S138	S138-K140 PolarHBondContact O-N 3.45Å
141	F	51.8	Low	53.1	Low	147 Å²	147	129 Å²	129	65%	0.645	66%	0.659	S	S	*	*			trans	-68.8	127.7	169.7	-72	-76.3	0	0	0	107.7	A139 I143	A139-F141 HydrophobicContact CB-CD2 3.94Å; A139-F141 HydrophobicContact CB-CE2 3.48Å; A139-F141 VanDerWaalsContact CB-CE2 3.48Å; A139-F141 HydrophobicContact CB-CZ 4.07Å; A139-F141 WeakPolarHBondContact O-CD2 3.46Å; A139-F141 PolarHBondContact O-N 3.37Å; F141-I143 HydrophobicContact CB-CD1 3.45Å; F141-I143 VanDerWaalsContact CB-CD1 3.45Å; F141-I143 HydrophobicContact CB-CG1 3.83Å; F141-I143 HydrophobicContact CG-CD1 4.09Å; F141-I143 PolarHBondContact O-N 2.94Å
142	P	49.3	Very low	54.1	Low	126 Å²	126	129 Å²	129	82%	0.818	65%	0.651	S	S	*	*			trans	-77.3	63.8	172	35.1	-32.7	0	0	0	107.5	G144	P142-G144 PolarHBondContact O-N 3.44Å
143	I	54.1	Low	55.1	Low	80 Å²	80	121.8 Å²	121.8	41%	0.41	62%	0.616	S	S	.	*			trans	-77.8	87	176.2	-78.3	156	0	0	0	106.4	F141 D147 F148	F141-I143 HydrophobicContact CB-CD1 3.45Å; F141-I143 VanDerWaalsContact CB-CD1 3.45Å; F141-I143 HydrophobicContact CB-CG1 3.83Å; F141-I143 HydrophobicContact CG-CD1 4.09Å; F141-I143 PolarHBondContact O-N 2.94Å; I143-D147 HydrophobicContact CG2-CB 4.26Å; I143-F148 HydrophobicContact CB-CE2 4.47Å; I143-F148 HydrophobicContact CG2-CD2 3.35Å; I143-F148 HydrophobicContact CG2-CE2 3.31Å; I143-F148 HydrophobicContact CG2-CG 4.39Å; I143-F148 HydrophobicContact CG2-CZ 4.32Å
144	G	57.6	Low	56.1	Low	41 Å²	41	124.7 Å²	124.7	42%	0.423	62%	0.615	S	S	.	*			trans	-60.7	145.5	166.7	0	0	0	0	0	108.7	P142 R146 D147	P142-G144 PolarHBondContact O-N 3.44Å; G144-R146 PolarHBondContact O-N 3.3Å; G144-D147 PolarHBondContact O-N 2.7Å
145	R	58	Low	56.7	Low	234 Å²	234	124.6 Å²	124.6	88%	0.883	61%	0.614	S	S	*	*	H	α-helix	trans	-42	-20.3	-178.5	-80.6	-175.3	171.7	-179.8	-1.8	116.4
146	R	60	Low	57.4	Low	210 Å²	210	118.7 Å²	118.7	79%	0.792	60%	0.6	S	S	*	*	H	α-helix	trans	-65.2	-37.6	177.7	-164	-178.9	-64.6	122	-2.6	113.3	G144 D149 M150	G144-R146 PolarHBondContact O-N 3.3Å; R146-D149 PolarHBondContact O-N 3.01Å; R146-M150 PolarHBondContact O-N 2.82Å; R146-M150 VanDerWaalsContact O-N 3.17Å
147	D	61.3	Low	57.5	Low	63 Å²	63	121.9 Å²	121.9	34%	0.337	60%	0.604	S	S	.	*	H	α-helix	trans	-78.5	-30.7	-175.4	-54.2	-37.4	0	0	0	111.5	I143 G144 D149 M150 L151	I143-D147 HydrophobicContact CG2-CB 4.26Å; G144-D147 PolarHBondContact O-N 2.7Å; D147-D149 VanDerWaalsContact C-N 3.29Å; D147-D149 PolarHBondContact O-N 2.74Å; D147-M150 PolarHBondContact O-N 3.18Å; D147-L151 WeakPolarHBondContact O-CB 3.49Å; D147-L151 WeakPolarHBondContact O-CG 3.43Å; D147-L151 PolarHBondContact O-N 3.15Å
148	F	59.8	Low	57.6	Low	123 Å²	123	120.8 Å²	120.8	54%	0.539	60%	0.602	S	S	.	*	H	α-helix	trans	-63.8	-34	170.8	-89.8	-74.8	0	0	0	112.7	I143 R152	I143-F148 HydrophobicContact CB-CE2 4.47Å; I143-F148 HydrophobicContact CG2-CD2 3.35Å; I143-F148 HydrophobicContact CG2-CE2 3.31Å; I143-F148 HydrophobicContact CG2-CG 4.39Å; I143-F148 HydrophobicContact CG2-CZ 4.32Å; F148-R152 WeakPolarHBondContact O-CB 3.46Å; F148-R152 PolarHBondContact O-N 3.3Å
149	D	62.2	Low	57.6	Low	93 Å²	93	122.7 Å²	122.7	50%	0.497	59%	0.593	S	S	.	*	H	α-helix	trans	-74.4	-40.4	178.6	-161.9	41.8	0	0	0	111.5	R146 D147 L151 R152 C153	R146-D149 PolarHBondContact O-N 3.01Å; D147-D149 VanDerWaalsContact C-N 3.29Å; D147-D149 PolarHBondContact O-N 2.74Å; D149-L151 VanDerWaalsContact C-N 3.34Å; D149-L151 PolarHBondContact O-N 3.41Å; D149-R152 PolarHBondContact O-N 3.02Å; D149-C153 WeakPolarHBondContact O-CB 3.41Å; D149-C153 PolarHBondContact O-N 3.37Å
150	M	63.1	Low	57.7	Low	103 Å²	103	130.1 Å²	130.1	51%	0.507	61%	0.61	S	S	.	*	H	α-helix	trans	-61.2	-41.7	171.6	-171.8	174.6	66.4	0	0	111.8	R146 D147 C153 M154	R146-M150 PolarHBondContact O-N 2.82Å; R146-M150 VanDerWaalsContact O-N 3.17Å; D147-M150 PolarHBondContact O-N 3.18Å; M150-C153 WeakPolarHBondContact O-CB 3.21Å; M150-C153 PolarHBondContact O-N 2.87Å; M150-M154 PolarHBondContact O-N 3.44Å
151	L	64.3	Low	57.9	Low	82 Å²	82	122.8 Å²	122.8	43%	0.429	58%	0.582	S	S	.	*	H	α-helix	trans	-70.2	-38.8	177	-70.9	169.2	0	0	0	112.4	D147 D149 C153 M154 L155	D147-L151 WeakPolarHBondContact O-CB 3.49Å; D147-L151 WeakPolarHBondContact O-CG 3.43Å; D147-L151 PolarHBondContact O-N 3.15Å; D149-L151 VanDerWaalsContact C-N 3.34Å; D149-L151 PolarHBondContact O-N 3.41Å; L151-C153 PolarHBondContact O-N 3.25Å; L151-M154 PolarHBondContact O-N 2.91Å; L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 WeakPolarHBondContact O-CG 3.38Å; L151-L155 PolarHBondContact O-N 3.45Å
152	R	62.5	Low	58.5	Low	180 Å²	180	119.6 Å²	119.6	68%	0.679	58%	0.577	S	S	*	*	H	α-helix	trans	-59.7	-38.1	170.9	-98.1	-165.3	-170.1	100	3.7	111.9	F148 D149 M154 G156	F148-R152 WeakPolarHBondContact O-CB 3.46Å; F148-R152 PolarHBondContact O-N 3.3Å; D149-R152 PolarHBondContact O-N 3.02Å; R152-M154 VanDerWaalsContact C-N 3.35Å; R152-G156 PolarHBondContact O-N 2.8Å
153	C	62.3	Low	59	Low	21 Å²	21	123 Å²	123	14%	0.142	57%	0.574	C	S	.	*	H	α-helix	trans	-66.3	-35.3	178.5	-173.4	0	0	0	0	113	D149 M150 L151 R160 C162	D149-C153 WeakPolarHBondContact O-CB 3.41Å; D149-C153 PolarHBondContact O-N 3.37Å; M150-C153 WeakPolarHBondContact O-CB 3.21Å; M150-C153 PolarHBondContact O-N 2.87Å; L151-C153 PolarHBondContact O-N 3.25Å; C153-R160 VanDerWaalsContact SG-C 3.52Å; C153-R160 PolarHBondContact SG-O 3.3Å; C153-C162 WeakPolarHBondContact CB-SG 3.18Å; C153-C162 VanDerWaalsContact SG-SG 3.6Å
154	M	59.5	Low	58.8	Low	119 Å²	119	126.4 Å²	126.4	59%	0.586	59%	0.588	S	S	*	*	H	α-helix	trans	-79.6	-34	176.7	-64.2	-143.9	-70.1	0	0	113.5	M150 L151 R152 Y159	M150-M154 PolarHBondContact O-N 3.44Å; L151-M154 PolarHBondContact O-N 2.91Å; R152-M154 VanDerWaalsContact C-N 3.35Å; M154-Y159 HydrophobicContact CG-CD2 4.28Å; M154-Y159 HydrophobicContact CG-CE2 4.16Å; M154-Y159 HydrophobicContact SD-CE2 4.23Å
155	L	63.9	Low	58.6	Low	144 Å²	144	134.3 Å²	134.3	75%	0.754	63%	0.628	S	S	*	*	H	α-helix	trans	-81.1	-25.2	-179.6	-70	167.1	0	0	0	113.2	L151 R157	L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 WeakPolarHBondContact O-CG 3.38Å; L151-L155 PolarHBondContact O-N 3.45Å; L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 2.74Å; L155-R157 VanDerWaalsContact O-N 3.08Å
156	G	61.3	Low	58.6	Low	50 Å²	50	129.4 Å²	129.4	52%	0.515	62%	0.615	S	S	.	*	S	Bend	trans	-84.1	57.1	-176.9	0	0	0	0	0	114.6	R152 V158	R152-G156 PolarHBondContact O-N 2.8Å; G156-V158 PolarHBondContact O-N 2.92Å
157	R	53.5	Low	58.5	Low	249 Å²	249	125.1 Å²	125.1	94%	0.94	61%	0.605	S	S	*	*	S	Bend	trans	43.2	5.7	157.9	-68	-111.6	-176.7	164.4	1.6	121.1	L155	L155-R157 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 2.74Å; L155-R157 VanDerWaalsContact O-N 3.08Å
158	V	54.4	Low	58.4	Low	116 Å²	116	128.6 Å²	128.6	70%	0.703	62%	0.62	S	S	*	*	S	Bend	trans	-156.8	107.4	162.9	-179.4	0	0	0	0	106.4	G156 R160	G156-V158 PolarHBondContact O-N 2.92Å; V158-R160 PolarHBondContact O-N 2.81Å
159	Y	47.9	Very low	58.3	Low	154 Å²	154	128.9 Å²	128.9	60%	0.604	63%	0.625	S	S	*	*			trans	-58.8	105.7	178.1	-176	-95.3	0	0	0	110.7	M154 P161	M154-Y159 HydrophobicContact CG-CD2 4.28Å; M154-Y159 HydrophobicContact CG-CE2 4.16Å; M154-Y159 HydrophobicContact SD-CE2 4.23Å; Y159-P161 HydrophobicContact CE1-CB 4.06Å; Y159-P161 HydrophobicContact CE1-CG 4.29Å
160	R	54.3	Low	58.1	Low	207 Å²	207	131.1 Å²	131.1	78%	0.781	63%	0.633	S	S	*	*			trans	-106.3	96.8	171.7	-96.4	-123.1	-165.9	-152.5	5.1	109	C153 V158 C162	C153-R160 VanDerWaalsContact SG-C 3.52Å; C153-R160 PolarHBondContact SG-O 3.3Å; V158-R160 PolarHBondContact O-N 2.81Å; R160-C162 PolarHBondContact O-N 3.45Å
161	P	55.5	Low	57.7	Low	37 Å²	37	133 Å²	133	24%	0.24	64%	0.642	C	S	.	*			trans	-56.5	115.2	-174.8	16.8	-25.8	0	0	0	111.7	Y159 W163 Q164	Y159-P161 HydrophobicContact CE1-CB 4.06Å; Y159-P161 HydrophobicContact CE1-CG 4.29Å; P161-W163 VanDerWaalsContact CB-CD1 3.46Å; P161-W163 HydrophobicContact CB-CD2 4.42Å; P161-W163 HydrophobicContact CB-CG 4.25Å; P161-W163 HydrophobicContact CB-CZ2 4.37Å; P161-W163 PolarHBondContact O-N 3.42Å; P161-Q164 PolarHBondContact O-N 3.44Å
162	C	63.4	Low	57.2	Low	79 Å²	79	136.6 Å²	136.6	53%	0.534	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	14	-175	-29.1	0	0	0	0	114	C153 R160	C153-C162 WeakPolarHBondContact CB-SG 3.18Å; C153-C162 VanDerWaalsContact SG-SG 3.6Å; R160-C162 PolarHBondContact O-N 3.45Å
163	W	60.9	Low	56.8	Low	199 Å²	199	133.3 Å²	133.3	75%	0.754	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-0.4	-179.9	58.5	-98.3	0	0	0	113.4	P161	P161-W163 VanDerWaalsContact CB-CD1 3.46Å; P161-W163 HydrophobicContact CB-CD2 4.42Å; P161-W163 HydrophobicContact CB-CG 4.25Å; P161-W163 HydrophobicContact CB-CZ2 4.37Å; P161-W163 PolarHBondContact O-N 3.42Å
164	Q	49.6	Very low	56.4	Low	150 Å²	150	142.7 Å²	142.7	70%	0.701	70%	0.698	S	S	*	*			trans	-98.9	96	-179.5	-156.7	170.9	-2.4	0	0	109.5	P161	P161-Q164 PolarHBondContact O-N 3.44Å
165	V	52.4	Low	56.1	Low	208 Å²	208	144.8 Å²	144.8	100%	1.261	71%	0.708	S	S	*	*			trans	-90.7	0	166.7	-173.7	0	0	0	0	108.6

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