G4LUS5_SCHMA Loading...

HTH_48 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession G4LUS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	37.3	Very low	40.1	Very low	243 Å²	243	172.5 Å²	172.5	100%	1.197	84%	0.838	S	S	*	*				0	111.2	0	-67	176.9	84.1	0	0	106.9
2	D	44.7	Very low	40.1	Very low	135 Å²	135	165.2 Å²	165.2	72%	0.722	82%	0.817	S	S	*	*			trans	-177.2	94.1	136.4	-143.6	-35.9	0	0	0	107.3
3	V	47.9	Very low	40.1	Very low	138 Å²	138	159.5 Å²	159.5	84%	0.836	80%	0.803	S	S	*	*			trans	-106.9	47.1	-179.1	-164.6	0	0	0	0	108.3
4	D	46.5	Very low	40	Very low	139 Å²	139	162.6 Å²	162.6	74%	0.743	80%	0.803	S	S	*	*			trans	-131.9	27.2	-176.5	-83.4	-41.7	0	0	0	114.6	L6	D4-L6 PolarHBondContact O-N 3Å
5	Q	42	Very low	40.2	Very low	163 Å²	163	160.1 Å²	160.1	76%	0.762	80%	0.8	S	S	*	*			trans	-83.8	26	172	-70.5	-83.4	-12.2	0	0	113.6	R7	Q5-R7 VanDerWaalsContact C-N 3.26Å; Q5-R7 PolarHBondContact O-N 2.83Å
6	L	36.3	Very low	40.2	Very low	158 Å²	158	159 Å²	159	83%	0.827	80%	0.797	S	S	*	*			trans	-76.4	80.3	169.8	-76.1	172.6	0	0	0	109.6	D4 P8	D4-L6 PolarHBondContact O-N 3Å; L6-P8 VanDerWaalsContact O-CD 3.3Å; L6-P8 WeakPolarHBondContact O-CD 3.48Å; L6-P8 VanDerWaalsContact O-N 3.14Å
7	R	33.8	Very low	40.1	Very low	212 Å²	212	156.4 Å²	156.4	80%	0.8	79%	0.786	S	S	*	*			trans	-52.9	119.6	172.6	-80	-169.6	-74.4	-142.5	-4.4	109.8	Q5 I9	Q5-R7 VanDerWaalsContact C-N 3.26Å; Q5-R7 PolarHBondContact O-N 2.83Å; R7-I9 PolarHBondContact O-N 3.21Å; R7-I9 VanDerWaalsContact O-N 3.15Å
8	P	38	Very low	40.3	Very low	117 Å²	117	152.6 Å²	152.6	76%	0.76	78%	0.777	S	S	*	*			trans	-59.4	121.4	176.9	-20.6	30.7	0	0	0	109.2	L6 K10	L6-P8 VanDerWaalsContact O-CD 3.3Å; L6-P8 WeakPolarHBondContact O-CD 3.48Å; L6-P8 VanDerWaalsContact O-N 3.14Å; P8-K10 PolarHBondContact O-N 2.8Å
9	I	37	Very low	40.6	Very low	163 Å²	163	148.9 Å²	148.9	84%	0.836	77%	0.766	S	S	*	*			trans	-58.6	105.8	169.7	-66.6	168.6	0	0	0	106.1	R7 R11	R7-I9 PolarHBondContact O-N 3.21Å; R7-I9 VanDerWaalsContact O-N 3.15Å; I9-R11 PolarHBondContact O-N 2.68Å
10	K	38.2	Very low	40.8	Very low	195 Å²	195	150.3 Å²	150.3	85%	0.848	77%	0.766	S	S	*	*			trans	-48.7	114.1	177.6	-77.3	-175.8	175.9	-177	0	108.1	P8 S12	P8-K10 PolarHBondContact O-N 2.8Å; K10-S12 VanDerWaalsContact C-N 3.31Å; K10-S12 PolarHBondContact O-N 2.9Å
11	R	39.5	Very low	41.1	Very low	234 Å²	234	147.5 Å²	147.5	88%	0.883	76%	0.756	S	S	*	*			trans	-56	99.4	167.2	-72.1	178.3	175.5	169.8	-1.8	106.4	I9 S13	I9-R11 PolarHBondContact O-N 2.68Å; R11-S13 PolarHBondContact O-N 2.95Å
12	S	39.7	Very low	41.6	Very low	85 Å²	85	145.3 Å²	145.3	59%	0.594	74%	0.74	S	S	*	*			trans	-73.9	73.6	169.8	179.9	0	0	0	0	106.8	K10 Y14	K10-S12 VanDerWaalsContact C-N 3.31Å; K10-S12 PolarHBondContact O-N 2.9Å; S12-Y14 VanDerWaalsContact C-N 3.33Å; S12-Y14 WeakPolarHBondContact O-CD2 3.33Å; S12-Y14 PolarHBondContact O-N 3.21Å
13	S	40.2	Very low	41.9	Very low	91 Å²	91	149.2 Å²	149.2	64%	0.636	75%	0.745	S	S	*	*			trans	-61.4	103.9	163.7	-55.6	0	0	0	0	105.2	R11 V15	R11-S13 PolarHBondContact O-N 2.95Å; S13-V15 PolarHBondContact O-N 2.7Å
14	Y	39.5	Very low	42	Very low	204 Å²	204	148.6 Å²	148.6	80%	0.8	73%	0.733	S	S	*	*			trans	-62	93.5	163.4	-67.8	-88.5	0	0	0	105.3	S12 L16	S12-Y14 VanDerWaalsContact C-N 3.33Å; S12-Y14 WeakPolarHBondContact O-CD2 3.33Å; S12-Y14 PolarHBondContact O-N 3.21Å; Y14-L16 PolarHBondContact O-N 2.72Å
15	V	42.6	Very low	42	Very low	125 Å²	125	146.1 Å²	146.1	76%	0.758	74%	0.74	S	S	*	*			trans	-65.8	90.6	164.5	-179.4	0	0	0	0	104.1	S13 N17	S13-V15 PolarHBondContact O-N 2.7Å; V15-N17 PolarHBondContact O-N 3.12Å; V15-N17 VanDerWaalsContact O-N 3.08Å
16	L	39.3	Very low	42.3	Very low	142 Å²	142	145 Å²	145	74%	0.743	73%	0.729	S	S	*	*			trans	-53	118.7	167.2	-102.2	130.4	0	0	0	105.7	Y14 S18	Y14-L16 PolarHBondContact O-N 2.72Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 2.8Å; L16-S18 PolarHBondContact O-OG 3.26Å
17	N	39.7	Very low	43	Very low	114 Å²	114	140.7 Å²	140.7	61%	0.61	71%	0.71	S	S	*	*			trans	-62.8	92.2	-173.9	-162.7	-16.4	0	0	0	108.5	V15 S19 K20	V15-N17 PolarHBondContact O-N 3.12Å; V15-N17 VanDerWaalsContact O-N 3.08Å; N17-S19 PolarHBondContact O-N 2.96Å; N17-S19 WeakPolarHBondContact OD1-CB 3.38Å; N17-S19 PolarHBondContact OD1-OG 3.02Å; N17-K20 PolarHBondContact O-N 3.2Å
18	S	43.3	Very low	44	Very low	89 Å²	89	135.3 Å²	135.3	62%	0.622	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-55	-17.2	-178.1	-55.1	0	0	0	0	112.7	L16 K20 V21	L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 2.8Å; L16-S18 PolarHBondContact O-OG 3.26Å; S18-K20 PolarHBondContact O-N 3.05Å; S18-V21 PolarHBondContact O-N 2.77Å; S18-V21 VanDerWaalsContact O-N 3.13Å
19	S	46.1	Very low	44.8	Very low	83 Å²	83	133 Å²	133	58%	0.58	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-62.4	-18.8	174.7	-51.6	0	0	0	0	114.4	N17	N17-S19 PolarHBondContact O-N 2.96Å; N17-S19 WeakPolarHBondContact OD1-CB 3.38Å; N17-S19 PolarHBondContact OD1-OG 3.02Å
20	K	44.8	Very low	45.5	Very low	176 Å²	176	129.5 Å²	129.5	77%	0.765	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-82.4	-27.4	172.9	-92.2	-176.3	177.2	178.2	0	113.7	N17 S18	N17-K20 PolarHBondContact O-N 3.2Å; S18-K20 PolarHBondContact O-N 3.05Å
21	V	47.5	Very low	46.1	Very low	92 Å²	92	123.6 Å²	123.6	56%	0.558	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-31.3	-177.8	-176.6	0	0	0	0	110.7	S18 R23	S18-V21 PolarHBondContact O-N 2.77Å; S18-V21 VanDerWaalsContact O-N 3.13Å; V21-R23 PolarHBondContact O-N 3.18Å
22	F	47.1	Very low	46.6	Very low	197 Å²	197	118.3 Å²	118.3	86%	0.864	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-12	-173.5	-144.3	-95.7	0	0	0	115.5	H24	F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.79Å
23	R	51.1	Low	47	Very low	216 Å²	216	122.5 Å²	122.5	82%	0.815	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	-177.2	-78	-165.5	-170.2	-108.1	1.4	114.8	V21	V21-R23 PolarHBondContact O-N 3.18Å
24	H	50.1	Low	47.5	Very low	125 Å²	125	123.1 Å²	123.1	58%	0.579	64%	0.639	S	S	*	*	S	Bend	trans	-117.1	119.4	178.2	-56.6	-66.4	0	0	0	105.3	F22 W26	F22-H24 VanDerWaalsContact C-N 3.34Å; F22-H24 PolarHBondContact O-N 2.79Å; H24-W26 VanDerWaalsContact O-CD1 3.27Å; H24-W26 PolarHBondContact O-N 2.86Å
25	G	46.9	Very low	47.9	Very low	88 Å²	88	120.2 Å²	120.2	91%	0.907	63%	0.634	S	S	*	*			trans	-68.9	68.9	177.3	0	0	0	0	0	110.6
26	W	47.3	Very low	48.3	Very low	140 Å²	140	122.1 Å²	122.1	53%	0.53	64%	0.635	S	S	.	*			trans	-72.5	136.2	174.6	-70.7	67.9	0	0	0	108.1	H24 Q30	H24-W26 VanDerWaalsContact O-CD1 3.27Å; H24-W26 PolarHBondContact O-N 2.86Å; W26-Q30 HydrophobicContact CE3-CB 4.03Å; W26-Q30 HydrophobicContact CE3-CG 4.32Å; W26-Q30 VanDerWaalsContact CZ3-OE1 3.24Å
27	P	52.3	Low	48.8	Very low	66 Å²	66	119.6 Å²	119.6	43%	0.429	63%	0.629	S	S	.	*			trans	-58.2	145.8	177.9	22	-31.2	0	0	0	110.4	S29 Q30	P27-S29 PolarHBondContact O-N 3.25Å; P27-Q30 HydrophobicContact CG-CG 4.48Å; P27-Q30 PolarHBondContact O-N 3.38Å
28	P	53.3	Low	49.8	Very low	99 Å²	99	121.1 Å²	121.1	64%	0.643	64%	0.637	S	S	*	*	H	α-helix	trans	-52.3	-28.5	-176.3	-27.4	33.5	0	0	0	114.2	Q30 I31 I32	P28-Q30 VanDerWaalsContact C-N 3.31Å; P28-Q30 PolarHBondContact O-N 3.28Å; P28-I31 PolarHBondContact O-N 3.43Å; P28-I32 WeakPolarHBondContact O-CG1 3.23Å; P28-I32 PolarHBondContact O-N 3.1Å
29	S	55	Low	50.8	Low	68 Å²	68	124 Å²	124	48%	0.476	65%	0.646	S	S	.	*	H	α-helix	trans	-60.1	-36.3	177.2	55	0	0	0	0	113.1	P27 Y33	P27-S29 PolarHBondContact O-N 3.25Å; S29-Y33 WeakPolarHBondContact O-CD2 3.41Å
30	Q	51.8	Low	52	Low	90 Å²	90	123.2 Å²	123.2	42%	0.421	63%	0.634	S	S	.	*	H	α-helix	trans	-81.7	-24.9	178	-66.5	-151.8	60.1	0	0	113.2	W26 P27 P28 I32 Y33 T34	W26-Q30 HydrophobicContact CE3-CB 4.03Å; W26-Q30 HydrophobicContact CE3-CG 4.32Å; W26-Q30 VanDerWaalsContact CZ3-OE1 3.24Å; P27-Q30 HydrophobicContact CG-CG 4.48Å; P27-Q30 PolarHBondContact O-N 3.38Å; P28-Q30 VanDerWaalsContact C-N 3.31Å; P28-Q30 PolarHBondContact O-N 3.28Å; Q30-I32 PolarHBondContact O-N 3.19Å; Q30-Y33 PolarHBondContact O-N 3.43Å; Q30-T34 PolarHBondContact O-N 2.98Å; Q30-T34 VanDerWaalsContact O-N 3.12Å; Q30-T34 PolarHBondContact O-OG1 3.22Å
31	I	50.9	Low	53.8	Low	72 Å²	72	117.2 Å²	117.2	37%	0.369	61%	0.614	S	S	.	*	H	α-helix	trans	-62.9	-38.4	172.1	-59.1	177.5	0	0	0	109.7	P28 Y33 T34 M35	P28-I31 PolarHBondContact O-N 3.43Å; I31-Y33 PolarHBondContact O-N 3.34Å; I31-T34 PolarHBondContact O-N 3.01Å; I31-T34 PolarHBondContact O-OG1 3.48Å; I31-T34 VanDerWaalsContact O-OG1 3.05Å; I31-M35 HydrophobicContact CG2-CG 4.45Å; I31-M35 WeakPolarHBondContact O-CB 3.27Å; I31-M35 VanDerWaalsContact O-CG 3.26Å; I31-M35 WeakPolarHBondContact O-CG 3.22Å; I31-M35 PolarHBondContact O-N 3.1Å; I31-M35 VanDerWaalsContact O-N 3.09Å
32	I	50.1	Low	55.2	Low	122 Å²	122	119.8 Å²	119.8	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-64.7	-41.6	177.4	-61.8	169.6	0	0	0	111.2	P28 Q30 T34 M35	P28-I32 WeakPolarHBondContact O-CG1 3.23Å; P28-I32 PolarHBondContact O-N 3.1Å; Q30-I32 PolarHBondContact O-N 3.19Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.01Å; I32-M35 PolarHBondContact O-N 3.36Å; I32-M35 VanDerWaalsContact O-N 3.15Å
33	Y	48.8	Very low	56.5	Low	173 Å²	173	114.3 Å²	114.3	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-68.4	-30.5	178.2	-69.7	-69.3	0	0	0	113.4	S29 Q30 I31 M35	S29-Y33 WeakPolarHBondContact O-CD2 3.41Å; Q30-Y33 PolarHBondContact O-N 3.43Å; I31-Y33 PolarHBondContact O-N 3.34Å; Y33-M35 VanDerWaalsContact C-N 3.3Å
34	T	50.5	Low	57.7	Low	105 Å²	105	108.1 Å²	108.1	64%	0.644	59%	0.589	S	S	*	*	H	α-helix	trans	-78.8	-15.5	173.8	55.4	0	0	0	0	113.4	Q30 I31 I32 Q36	Q30-T34 PolarHBondContact O-N 2.98Å; Q30-T34 VanDerWaalsContact O-N 3.12Å; Q30-T34 PolarHBondContact O-OG1 3.22Å; I31-T34 PolarHBondContact O-N 3.01Å; I31-T34 PolarHBondContact O-OG1 3.48Å; I31-T34 VanDerWaalsContact O-OG1 3.05Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 3.01Å; T34-Q36 VanDerWaalsContact C-N 3.34Å
35	M	48.3	Very low	58.8	Low	143 Å²	143	108 Å²	108	70%	0.704	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	7.1	173.7	-74	-90	164.2	0	0	113.6	I31 I32 Y33 S37	I31-M35 HydrophobicContact CG2-CG 4.45Å; I31-M35 WeakPolarHBondContact O-CB 3.27Å; I31-M35 VanDerWaalsContact O-CG 3.26Å; I31-M35 WeakPolarHBondContact O-CG 3.22Å; I31-M35 PolarHBondContact O-N 3.1Å; I31-M35 VanDerWaalsContact O-N 3.09Å; I32-M35 PolarHBondContact O-N 3.36Å; I32-M35 VanDerWaalsContact O-N 3.15Å; Y33-M35 VanDerWaalsContact C-N 3.3Å; M35-S37 PolarHBondContact O-N 2.98Å
36	Q	49.2	Very low	60.3	Low	164 Å²	164	106.2 Å²	106.2	77%	0.766	56%	0.561	S	S	*	*	S	Bend	trans	-65.8	66.1	147.3	-77.8	-175.9	-11.7	0	0	108	T34 N38	T34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-N38 PolarHBondContact O-N 3.15Å
37	S	51.1	Low	61.5	Low	89 Å²	89	101.4 Å²	101.4	62%	0.622	55%	0.545	S	S	*	.			trans	-35.1	127	165.6	159.5	0	0	0	0	106.6	M35 N39	M35-S37 PolarHBondContact O-N 2.98Å; S37-N39 PolarHBondContact O-N 3.48Å
38	N	60.4	Low	62.7	Low	147 Å²	147	104.5 Å²	104.5	79%	0.786	55%	0.549	S	S	*	.			trans	-51.9	67.8	166.5	-75.4	-49.5	0	0	0	110.4	Q36 M40	Q36-N38 PolarHBondContact O-N 3.15Å; N38-M40 PolarHBondContact O-N 3.31Å
39	N	64.3	Low	63.7	Low	149 Å²	149	102.1 Å²	102.1	80%	0.797	54%	0.537	S	S	*	.			trans	-76.3	68.8	168.9	-161.8	7.4	0	0	0	105.2	S37 S41	S37-N39 PolarHBondContact O-N 3.48Å; N39-S41 PolarHBondContact O-N 2.87Å; N39-S41 VanDerWaalsContact O-N 3.08Å
40	M	71.6	Confident	64.7	Low	67 Å²	67	105.5 Å²	105.5	33%	0.33	54%	0.539	S	S	.	.			trans	-54.8	117.1	177.9	-156	-162.8	-42.7	0	0	105.6	N38 E44 F45 R48	N38-M40 PolarHBondContact O-N 3.31Å; M40-E44 HydrophobicContact CG-CB 3.84Å; M40-E44 WeakPolarHBondContact CG-OE2 3.16Å; M40-F45 HydrophobicContact SD-CB 4.39Å; M40-R48 VanDerWaalsContact CE-NH1 3.34Å; M40-R48 WeakPolarHBondContact SD-CD 3.45Å; M40-R48 PolarHBondContact SD-NE 3.36Å; M40-R48 VanDerWaalsContact SD-NE 3.43Å; M40-R48 PolarHBondContact SD-NH1 3.41Å
41	S	81.6	Confident	65.8	Low	49 Å²	49	108 Å²	108	34%	0.343	55%	0.545	S	S	.	.			trans	-57.5	152.3	-176	70.2	0	0	0	0	110.2	N39 C43 E44 F45	N39-S41 PolarHBondContact O-N 2.87Å; N39-S41 VanDerWaalsContact O-N 3.08Å; S41-C43 PolarHBondContact O-N 3.17Å; S41-C43 VanDerWaalsContact O-N 3.16Å; S41-E44 PolarHBondContact O-N 3.42Å; S41-E44 WeakPolarHBondContact OG-CB 3.24Å; S41-E44 WeakPolarHBondContact OG-CG 3.49Å; S41-E44 PolarHBondContact OG-N 3.23Å; S41-F45 PolarHBondContact O-N 2.77Å
42	L	76.6	Confident	67	Low	147 Å²	147	111.8 Å²	111.8	77%	0.77	55%	0.554	S	S	*	*	H	α-helix	trans	-55.1	-35.1	175.5	-176.7	64.8	0	0	0	111.1	F45 S46	L42-F45 PolarHBondContact O-N 3.42Å; L42-S46 VanDerWaalsContact O-CB 3.31Å; L42-S46 WeakPolarHBondContact O-CB 3.27Å; L42-S46 PolarHBondContact O-N 2.91Å; L42-S46 PolarHBondContact O-OG 3.4Å
43	C	76.2	Confident	68.2	Low	81 Å²	81	114.9 Å²	114.9	55%	0.547	56%	0.558	S	S	.	*	H	α-helix	trans	-60.6	-53.2	173.3	-168	0	0	0	0	111.2	S41 F45 S46 D47	S41-C43 PolarHBondContact O-N 3.17Å; S41-C43 VanDerWaalsContact O-N 3.16Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 PolarHBondContact O-N 3.06Å; C43-S46 PolarHBondContact O-N 2.81Å; C43-S46 PolarHBondContact O-OG 2.99Å; C43-D47 VanDerWaalsContact O-CG 3.29Å; C43-D47 PolarHBondContact O-N 3.14Å
44	E	75	Confident	69.5	Low	86 Å²	86	107.3 Å²	107.3	40%	0.402	53%	0.532	S	S	.	.	H	α-helix	trans	-59.9	-40.8	177.2	-79.1	-179.2	-147.1	0	0	113.3	M40 S41 D47 R48	M40-E44 HydrophobicContact CG-CB 3.84Å; M40-E44 WeakPolarHBondContact CG-OE2 3.16Å; S41-E44 PolarHBondContact O-N 3.42Å; S41-E44 WeakPolarHBondContact OG-CB 3.24Å; S41-E44 WeakPolarHBondContact OG-CG 3.49Å; S41-E44 PolarHBondContact OG-N 3.23Å; E44-D47 PolarHBondContact O-N 3.14Å; E44-R48 WeakPolarHBondContact O-CB 3.31Å; E44-R48 VanDerWaalsContact O-CG 3.3Å; E44-R48 WeakPolarHBondContact O-CG 3.32Å; E44-R48 PolarHBondContact O-N 3.28Å; E44-R48 IonicContact OE2-NH2 3.65Å
45	F	74.6	Confident	70.5	Confident	123 Å²	123	103.8 Å²	103.8	54%	0.539	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-47.7	176.1	177.4	-97.9	0	0	0	110.8	M40 S41 L42 C43 D47 R48 A49	M40-F45 HydrophobicContact SD-CB 4.39Å; S41-F45 PolarHBondContact O-N 2.77Å; L42-F45 PolarHBondContact O-N 3.42Å; C43-F45 VanDerWaalsContact C-N 3.34Å; C43-F45 PolarHBondContact O-N 3.06Å; F45-D47 VanDerWaalsContact C-N 3.27Å; F45-D47 PolarHBondContact O-N 3.11Å; F45-R48 PolarHBondContact O-N 2.96Å; F45-A49 WeakPolarHBondContact O-CB 3.33Å; F45-A49 PolarHBondContact O-N 2.84Å
46	S	76.6	Confident	71.9	Confident	51 Å²	51	99.9 Å²	99.9	36%	0.357	49%	0.494	S	S	.	.	H	α-helix	trans	-60.1	-39	176.8	80.8	0	0	0	0	111.4	L42 C43 A49 R50	L42-S46 VanDerWaalsContact O-CB 3.31Å; L42-S46 WeakPolarHBondContact O-CB 3.27Å; L42-S46 PolarHBondContact O-N 2.91Å; L42-S46 PolarHBondContact O-OG 3.4Å; C43-S46 PolarHBondContact O-N 2.81Å; C43-S46 PolarHBondContact O-OG 2.99Å; S46-A49 PolarHBondContact O-N 3.37Å; S46-R50 WeakPolarHBondContact O-CB 3.5Å; S46-R50 PolarHBondContact O-N 2.96Å
47	D	74.1	Confident	73.3	Confident	38 Å²	38	94.8 Å²	94.8	20%	0.203	47%	0.472	C	S	.	.	H	α-helix	trans	-68.6	-41.2	176.8	-72.7	-17.3	0	0	0	112.5	C43 E44 F45 A49 R50 R51	C43-D47 VanDerWaalsContact O-CG 3.29Å; C43-D47 PolarHBondContact O-N 3.14Å; E44-D47 PolarHBondContact O-N 3.14Å; F45-D47 VanDerWaalsContact C-N 3.27Å; F45-D47 PolarHBondContact O-N 3.11Å; D47-A49 VanDerWaalsContact C-N 3.35Å; D47-R50 PolarHBondContact O-N 3.49Å; D47-R50 IonicContact OD1-CZ 3.78Å; D47-R50 IonicContact OD1-NE 3.4Å; D47-R50 IonicContact OD1-NH2 3.59Å; D47-R50 PolarHBondContact OD1-NH2 3.35Å; D47-R51 VanDerWaalsContact O-CB 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.4Å; D47-R51 VanDerWaalsContact O-CG 3.23Å; D47-R51 WeakPolarHBondContact O-CG 3.12Å; D47-R51 PolarHBondContact O-N 2.96Å; D47-R51 PolarHBondContact O-NE 3.15Å
48	R	77	Confident	74.6	Confident	132 Å²	132	92.1 Å²	92.1	50%	0.498	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-41.4	174.7	-73.9	-178.8	-164.8	-171	6	110.7	M40 E44 F45 R52	M40-R48 VanDerWaalsContact CE-NH1 3.34Å; M40-R48 WeakPolarHBondContact SD-CD 3.45Å; M40-R48 PolarHBondContact SD-NE 3.36Å; M40-R48 VanDerWaalsContact SD-NE 3.43Å; M40-R48 PolarHBondContact SD-NH1 3.41Å; E44-R48 WeakPolarHBondContact O-CB 3.31Å; E44-R48 VanDerWaalsContact O-CG 3.3Å; E44-R48 WeakPolarHBondContact O-CG 3.32Å; E44-R48 PolarHBondContact O-N 3.28Å; E44-R48 IonicContact OE2-NH2 3.65Å; F45-R48 PolarHBondContact O-N 2.96Å; R48-R52 WeakPolarHBondContact O-CB 3.26Å; R48-R52 PolarHBondContact O-N 3Å
49	A	73.6	Confident	75.5	Confident	48 Å²	48	85.7 Å²	85.7	40%	0.397	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-45.3	176.1	0	0	0	0	0	111.5	F45 S46 D47 R52 R53	F45-A49 WeakPolarHBondContact O-CB 3.33Å; F45-A49 PolarHBondContact O-N 2.84Å; S46-A49 PolarHBondContact O-N 3.37Å; D47-A49 VanDerWaalsContact C-N 3.35Å; A49-R52 WeakPolarHBondContact O-CB 3.28Å; A49-R52 PolarHBondContact O-N 3.28Å; A49-R53 PolarHBondContact O-N 3.4Å
50	R	76.3	Confident	76.2	Confident	139 Å²	139	88.9 Å²	88.9	53%	0.525	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-49.1	176.9	173	164	50.9	161.6	-10.9	112.2	S46 D47 R52 R53 A54 I162	S46-R50 WeakPolarHBondContact O-CB 3.5Å; S46-R50 PolarHBondContact O-N 2.96Å; D47-R50 PolarHBondContact O-N 3.49Å; D47-R50 IonicContact OD1-CZ 3.78Å; D47-R50 IonicContact OD1-NE 3.4Å; D47-R50 IonicContact OD1-NH2 3.59Å; D47-R50 PolarHBondContact OD1-NH2 3.35Å; R50-R52 VanDerWaalsContact C-N 3.27Å; R50-R52 PolarHBondContact O-N 2.89Å; R50-R53 PolarHBondContact O-N 3.49Å; R50-A54 PolarHBondContact O-N 3.28Å; R50-I162 HydrophobicContact CB-CD1 4.44Å; R50-I162 HydrophobicContact CG-CD1 3.14Å
51	R	76.1	Confident	76.4	Confident	142 Å²	142	89 Å²	89	54%	0.536	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-38.9	173	-75.5	-179.2	-82.5	-136.3	4.7	111.9	D47 T55	D47-R51 VanDerWaalsContact O-CB 3.25Å; D47-R51 WeakPolarHBondContact O-CB 3.4Å; D47-R51 VanDerWaalsContact O-CG 3.23Å; D47-R51 WeakPolarHBondContact O-CG 3.12Å; D47-R51 PolarHBondContact O-N 2.96Å; D47-R51 PolarHBondContact O-NE 3.15Å; R51-T55 WeakPolarHBondContact O-CB 3.33Å; R51-T55 PolarHBondContact O-N 2.9Å; R51-T55 PolarHBondContact O-OG1 2.8Å
52	R	75.7	Confident	76.2	Confident	152 Å²	152	87.4 Å²	87.4	57%	0.574	41%	0.41	S	S	*	.	H	α-helix	trans	-64.7	-44.3	176.6	-179.6	174.2	-175.9	111	-2.3	111.7	R48 A49 R50 T55 V56	R48-R52 WeakPolarHBondContact O-CB 3.26Å; R48-R52 PolarHBondContact O-N 3Å; A49-R52 WeakPolarHBondContact O-CB 3.28Å; A49-R52 PolarHBondContact O-N 3.28Å; R50-R52 VanDerWaalsContact C-N 3.27Å; R50-R52 PolarHBondContact O-N 2.89Å; R52-T55 PolarHBondContact O-N 2.98Å; R52-V56 WeakPolarHBondContact O-CG2 3.37Å; R52-V56 PolarHBondContact O-N 3.35Å; R52-V56 VanDerWaalsContact O-N 3.16Å
53	R	74.9	Confident	76.5	Confident	188 Å²	188	82.4 Å²	82.4	71%	0.709	39%	0.394	S	S	*	.	H	α-helix	trans	-63.2	-47.2	176.5	-174	176.5	-115.4	-172.6	-2.2	111.1	A49 R50 T55 V56 N57	A49-R53 PolarHBondContact O-N 3.4Å; R50-R53 PolarHBondContact O-N 3.49Å; R53-T55 VanDerWaalsContact C-N 3.33Å; R53-T55 PolarHBondContact O-N 3.46Å; R53-V56 PolarHBondContact O-N 3.33Å; R53-V56 VanDerWaalsContact O-N 3.12Å; R53-N57 PolarHBondContact O-N 2.95Å
54	A	75.4	Confident	76.6	Confident	14 Å²	14	79.6 Å²	79.6	12%	0.116	38%	0.375	C	S	.	.	H	α-helix	trans	-57.3	-45.3	176.8	0	0	0	0	0	112.2	R50 V56 N57 L58 I162	R50-A54 PolarHBondContact O-N 3.28Å; A54-V56 VanDerWaalsContact C-N 3.31Å; A54-V56 PolarHBondContact O-N 3.18Å; A54-N57 PolarHBondContact O-N 3.3Å; A54-L58 VanDerWaalsContact O-CB 3.32Å; A54-L58 WeakPolarHBondContact O-CB 3.33Å; A54-L58 WeakPolarHBondContact O-CD1 3.39Å; A54-L58 VanDerWaalsContact O-CG 3.31Å; A54-L58 WeakPolarHBondContact O-CG 3.33Å; A54-L58 PolarHBondContact O-N 3.5Å; A54-I162 HydrophobicContact CB-CD1 3.83Å; A54-I162 HydrophobicContact CB-CG1 3.82Å; A54-I162 HydrophobicContact CB-CG2 4.17Å
55	T	72.6	Confident	77.1	Confident	30 Å²	30	81.4 Å²	81.4	18%	0.184	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-41.9	177	-58.7	0	0	0	0	112	R51 R52 R53 S59 R66 F69 N70	R51-T55 WeakPolarHBondContact O-CB 3.33Å; R51-T55 PolarHBondContact O-N 2.9Å; R51-T55 PolarHBondContact O-OG1 2.8Å; R52-T55 PolarHBondContact O-N 2.98Å; R53-T55 VanDerWaalsContact C-N 3.33Å; R53-T55 PolarHBondContact O-N 3.46Å; T55-S59 VanDerWaalsContact O-CB 3.28Å; T55-S59 WeakPolarHBondContact O-CB 3.37Å; T55-S59 PolarHBondContact O-N 2.81Å; T55-S59 PolarHBondContact O-OG 3.48Å; T55-R66 HydrophobicContact CG2-CG 4.4Å; T55-F69 HydrophobicContact CG2-CD1 3.72Å; T55-F69 HydrophobicContact CG2-CE1 3.8Å; T55-N70 WeakPolarHBondContact CG2-OD1 3.42Å
56	V	77.4	Confident	77.3	Confident	61 Å²	61	79.3 Å²	79.3	37%	0.37	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-48.6	179.7	171.6	0	0	0	0	110.6	R52 R53 A54 L58 S59 R60	R52-V56 WeakPolarHBondContact O-CG2 3.37Å; R52-V56 PolarHBondContact O-N 3.35Å; R52-V56 VanDerWaalsContact O-N 3.16Å; R53-V56 PolarHBondContact O-N 3.33Å; R53-V56 VanDerWaalsContact O-N 3.12Å; A54-V56 VanDerWaalsContact C-N 3.31Å; A54-V56 PolarHBondContact O-N 3.18Å; V56-L58 PolarHBondContact O-N 3.01Å; V56-S59 PolarHBondContact O-N 3.08Å; V56-S59 PolarHBondContact O-OG 2.86Å; V56-R60 WeakPolarHBondContact O-CB 3.42Å; V56-R60 PolarHBondContact O-N 2.89Å
57	N	78.8	Confident	77.7	Confident	57 Å²	57	80.8 Å²	80.8	31%	0.305	38%	0.378	S	S	.	.	H	α-helix	trans	-57.5	-51.9	177.9	-71.1	3.6	0	0	0	110.7	R53 A54 S59 R60 V61	R53-N57 PolarHBondContact O-N 2.95Å; A54-N57 PolarHBondContact O-N 3.3Å; N57-S59 PolarHBondContact O-N 3.04Å; N57-R60 PolarHBondContact O-N 3.49Å; N57-V61 VanDerWaalsContact O-CG2 3.24Å; N57-V61 WeakPolarHBondContact O-CG2 3.43Å; N57-V61 PolarHBondContact O-N 3.08Å
58	L	78.6	Confident	78.1	Confident	33 Å²	33	80.6 Å²	80.6	17%	0.173	38%	0.379	C	S	.	.	H	α-helix	trans	-59.5	-43.1	178.4	-73.7	160	0	0	0	112.1	A54 V56 R60 V61 L62 F69 L154	A54-L58 VanDerWaalsContact O-CB 3.32Å; A54-L58 WeakPolarHBondContact O-CB 3.33Å; A54-L58 WeakPolarHBondContact O-CD1 3.39Å; A54-L58 VanDerWaalsContact O-CG 3.31Å; A54-L58 WeakPolarHBondContact O-CG 3.33Å; A54-L58 PolarHBondContact O-N 3.5Å; V56-L58 PolarHBondContact O-N 3.01Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.19Å; L58-V61 PolarHBondContact O-N 3.47Å; L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.42Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 2.79Å; L58-F69 HydrophobicContact CB-CE2 3.8Å; L58-F69 HydrophobicContact CB-CZ 3.85Å; L58-F69 HydrophobicContact CD1-CZ 4.11Å; L58-L154 HydrophobicContact CD1-CD1 4.44Å; L58-L154 HydrophobicContact CD2-CD1 3.87Å
59	S	78.9	Confident	78.3	Confident	12 Å²	12	74.5 Å²	74.5	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-38.7	178.6	69.6	0	0	0	0	112.9	T55 V56 N57 G63 C64	T55-S59 VanDerWaalsContact O-CB 3.28Å; T55-S59 WeakPolarHBondContact O-CB 3.37Å; T55-S59 PolarHBondContact O-N 2.81Å; T55-S59 PolarHBondContact O-OG 3.48Å; V56-S59 PolarHBondContact O-N 3.08Å; V56-S59 PolarHBondContact O-OG 2.86Å; N57-S59 PolarHBondContact O-N 3.04Å; S59-G63 PolarHBondContact O-N 3.49Å; S59-C64 PolarHBondContact O-N 3.25Å; S59-C64 VanDerWaalsContact O-O 3.07Å
60	R	79.7	Confident	78.7	Confident	216 Å²	216	75 Å²	75	82%	0.815	35%	0.352	S	S	*	.	H	α-helix	trans	-66.4	-47.7	178.8	-175.8	-180	179	103.3	-0.9	111.1	V56 N57 L58 G63	V56-R60 WeakPolarHBondContact O-CB 3.42Å; V56-R60 PolarHBondContact O-N 2.89Å; N57-R60 PolarHBondContact O-N 3.49Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-R60 PolarHBondContact O-N 3.19Å; R60-G63 PolarHBondContact O-N 3.02Å; R60-G63 VanDerWaalsContact O-N 3.1Å
61	V	75.7	Confident	79.1	Confident	71 Å²	71	76.1 Å²	76.1	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-58.1	-48.8	176.4	163.1	0	0	0	0	111.6	N57 L58 G63 L169	N57-V61 VanDerWaalsContact O-CG2 3.24Å; N57-V61 WeakPolarHBondContact O-CG2 3.43Å; N57-V61 PolarHBondContact O-N 3.08Å; L58-V61 PolarHBondContact O-N 3.47Å; V61-G63 PolarHBondContact O-N 3.45Å; V61-G63 VanDerWaalsContact O-N 3.1Å; V61-L169 HydrophobicContact CB-CD1 3.94Å; V61-L169 HydrophobicContact CG1-CD1 3.19Å; V61-L169 HydrophobicContact CG1-CG 4.47Å; V61-L169 HydrophobicContact CG2-CD1 3.48Å; V61-L169 VanDerWaalsContact CG2-CD1 3.48Å; V61-L169 HydrophobicContact CG2-CD2 3.39Å; V61-L169 HydrophobicContact CG2-CG 4.03Å
62	L	77.4	Confident	79.4	Confident	15 Å²	15	72 Å²	72	8%	0.079	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-5.3	-178.8	-68	177.2	0	0	0	112.6	L58 C64 F69 I147 I150	L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.42Å; L58-L62 WeakPolarHBondContact O-CG 3.44Å; L58-L62 PolarHBondContact O-N 2.79Å; L62-C64 VanDerWaalsContact C-N 3.25Å; L62-C64 PolarHBondContact O-N 3.32Å; L62-F69 HydrophobicContact CD1-CD2 3.82Å; L62-F69 HydrophobicContact CD1-CE2 3.73Å; L62-I147 HydrophobicContact CB-CD1 4.32Å; L62-I147 HydrophobicContact CB-CG1 4Å; L62-I147 HydrophobicContact CD1-CG1 4.41Å; L62-I147 HydrophobicContact CD1-CG2 4Å; L62-I147 HydrophobicContact CD2-CG1 3.99Å; L62-I147 HydrophobicContact CG-CG1 4.33Å; L62-I150 HydrophobicContact CD2-CB 4.38Å; L62-I150 HydrophobicContact CD2-CD1 3.53Å; L62-I150 HydrophobicContact CD2-CG2 4.36Å
63	G	82	Confident	79.7	Confident	42 Å²	42	68.6 Å²	68.6	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	34.7	-177.5	0	0	0	0	0	112.3	S59 R60 V61	S59-G63 PolarHBondContact O-N 3.49Å; R60-G63 PolarHBondContact O-N 3.02Å; R60-G63 VanDerWaalsContact O-N 3.1Å; V61-G63 PolarHBondContact O-N 3.45Å; V61-G63 VanDerWaalsContact O-N 3.1Å
64	C	78.8	Confident	80.1	Confident	21 Å²	21	63.6 Å²	63.6	14%	0.142	32%	0.315	C	S	.	.			trans	-126	144.9	-175.4	72.1	0	0	0	0	112.1	S59 L62 I147	S59-C64 PolarHBondContact O-N 3.25Å; S59-C64 VanDerWaalsContact O-O 3.07Å; L62-C64 VanDerWaalsContact C-N 3.25Å; L62-C64 PolarHBondContact O-N 3.32Å; C64-I147 HydrophobicContact CB-CD1 4.15Å
65	H	85.8	Confident	80.5	Confident	124 Å²	124	69.5 Å²	69.5	57%	0.574	34%	0.338	S	S	*	.			trans	-61.9	144.7	177.9	-173.4	-102.3	0	0	0	111.4	T67 T68 F69	H65-T67 PolarHBondContact CE1-OG1 3.12Å; H65-T67 PolarHBondContact ND1-N 3.03Å; H65-T67 PolarHBondContact ND1-OG1 3.36Å; H65-T67 PolarHBondContact O-N 3.2Å; H65-T67 VanDerWaalsContact O-N 3.11Å; H65-T68 HydrophobicContact CB-CG2 4.31Å; H65-T68 PolarHBondContact N-OG1 2.93Å; H65-T68 PolarHBondContact O-N 3.3Å; H65-T68 PolarHBondContact O-OG1 3.15Å; H65-F69 PolarHBondContact O-N 3.31Å
66	R	78.8	Confident	80.8	Confident	80 Å²	80	69.1 Å²	69.1	30%	0.302	34%	0.335	S	S	.	.	H	α-helix	trans	-54.7	-37.4	-176.7	-173.5	173.6	178.3	-176.9	-4.4	113.7	T55 N70	T55-R66 HydrophobicContact CG2-CG 4.4Å; R66-N70 WeakPolarHBondContact O-CB 3.11Å; R66-N70 VanDerWaalsContact O-CG 3.24Å; R66-N70 PolarHBondContact O-N 3.16Å
67	T	83.5	Confident	80.9	Confident	81 Å²	81	72.1 Å²	72.1	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-69.5	-34	177.5	62.9	0	0	0	0	112.4	H65 R71	H65-T67 PolarHBondContact CE1-OG1 3.12Å; H65-T67 PolarHBondContact ND1-N 3.03Å; H65-T67 PolarHBondContact ND1-OG1 3.36Å; H65-T67 PolarHBondContact O-N 3.2Å; H65-T67 VanDerWaalsContact O-N 3.11Å; T67-R71 WeakPolarHBondContact O-CB 3.39Å; T67-R71 PolarHBondContact O-N 2.87Å
68	T	82.4	Confident	80.9	Confident	34 Å²	34	73 Å²	73	21%	0.209	34%	0.344	C	S	.	.	H	α-helix	trans	-74.8	-38.5	178	65.3	0	0	0	0	110.8	H65 R71 R72	H65-T68 HydrophobicContact CB-CG2 4.31Å; H65-T68 PolarHBondContact N-OG1 2.93Å; H65-T68 PolarHBondContact O-N 3.3Å; H65-T68 PolarHBondContact O-OG1 3.15Å; T68-R71 PolarHBondContact O-N 3.24Å; T68-R72 WeakPolarHBondContact O-CG 3.38Å; T68-R72 PolarHBondContact O-N 3.37Å
69	F	83.2	Confident	80.8	Confident	5 Å²	5	73 Å²	73	2%	0.022	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-56.2	169.1	-179.5	-93.2	0	0	0	111.1	T55 L58 L62 H65 R71 R72 W73 L151	T55-F69 HydrophobicContact CG2-CD1 3.72Å; T55-F69 HydrophobicContact CG2-CE1 3.8Å; L58-F69 HydrophobicContact CB-CE2 3.8Å; L58-F69 HydrophobicContact CB-CZ 3.85Å; L58-F69 HydrophobicContact CD1-CZ 4.11Å; L62-F69 HydrophobicContact CD1-CD2 3.82Å; L62-F69 HydrophobicContact CD1-CE2 3.73Å; H65-F69 PolarHBondContact O-N 3.31Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.97Å; F69-R72 PolarHBondContact O-N 3.45Å; F69-R72 VanDerWaalsContact O-N 3.08Å; F69-W73 HydrophobicContact CE1-CB 4.34Å; F69-W73 WeakPolarHBondContact O-CB 3.45Å; F69-W73 PolarHBondContact O-N 3Å; F69-L151 HydrophobicContact CD2-CD2 4.43Å; F69-L151 HydrophobicContact CE2-CD2 3.5Å; F69-L151 HydrophobicContact CZ-CD2 3.87Å
70	N	81.9	Confident	80.6	Confident	58 Å²	58	74.8 Å²	74.8	31%	0.31	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-42.6	-178.5	-75.7	-8.6	0	0	0	112.2	T55 R66 R72 W73 N74	T55-N70 WeakPolarHBondContact CG2-OD1 3.42Å; R66-N70 WeakPolarHBondContact O-CB 3.11Å; R66-N70 VanDerWaalsContact O-CG 3.24Å; R66-N70 PolarHBondContact O-N 3.16Å; N70-R72 PolarHBondContact O-N 3.3Å; N70-W73 PolarHBondContact O-N 2.94Å; N70-N74 VanDerWaalsContact O-CB 3.31Å; N70-N74 WeakPolarHBondContact O-CB 3.37Å; N70-N74 PolarHBondContact O-N 2.97Å; N70-N74 PolarHBondContact O-ND2 3.21Å
71	R	83.7	Confident	80.3	Confident	162 Å²	162	66.2 Å²	66.2	61%	0.611	32%	0.321	S	S	*	.	H	α-helix	trans	-62	-43	177	-175.5	175.7	66.4	-123.8	6.1	111.8	T67 T68 F69 K75	T67-R71 WeakPolarHBondContact O-CB 3.39Å; T67-R71 PolarHBondContact O-N 2.87Å; T68-R71 PolarHBondContact O-N 3.24Å; F69-R71 VanDerWaalsContact C-N 3.31Å; F69-R71 PolarHBondContact O-N 2.97Å; R71-K75 WeakPolarHBondContact O-CB 3.29Å; R71-K75 PolarHBondContact O-N 3.41Å
72	R	83.2	Confident	80.2	Confident	56 Å²	56	70 Å²	70	21%	0.211	33%	0.327	C	S	.	.	H	α-helix	trans	-68.9	-45.4	178.2	-72.5	-178.5	-173.5	-173.6	6.2	111.7	T68 F69 N70 N74 K75 L76 I147 L151	T68-R72 WeakPolarHBondContact O-CG 3.38Å; T68-R72 PolarHBondContact O-N 3.37Å; F69-R72 PolarHBondContact O-N 3.45Å; F69-R72 VanDerWaalsContact O-N 3.08Å; N70-R72 PolarHBondContact O-N 3.3Å; R72-N74 PolarHBondContact O-N 3.08Å; R72-K75 PolarHBondContact O-N 3.17Å; R72-L76 WeakPolarHBondContact O-CG 3.44Å; R72-L76 PolarHBondContact O-N 3.43Å; R72-I147 VanDerWaalsContact NH1-CD1 3.28Å; R72-L151 HydrophobicContact CB-CD1 4.14Å
73	W	82.3	Confident	79.9	Confident	80 Å²	80	77.7 Å²	77.7	30%	0.303	36%	0.355	S	S	.	.	H	α-helix	trans	-56.3	-50.3	175.4	179.6	-100.1	0	0	0	111.4	F69 N70 K75 L76 R77 L151 L154 M155	F69-W73 HydrophobicContact CE1-CB 4.34Å; F69-W73 WeakPolarHBondContact O-CB 3.45Å; F69-W73 PolarHBondContact O-N 3Å; N70-W73 PolarHBondContact O-N 2.94Å; W73-K75 VanDerWaalsContact C-N 3.33Å; W73-K75 PolarHBondContact O-N 3.04Å; W73-L76 PolarHBondContact O-N 2.95Å; W73-R77 VanDerWaalsContact O-CB 3.26Å; W73-R77 WeakPolarHBondContact O-CB 3.31Å; W73-R77 PolarHBondContact O-N 3.11Å; W73-L151 HydrophobicContact CE3-CD2 3.63Å; W73-L151 HydrophobicContact CZ3-CD2 3.97Å; W73-L154 HydrophobicContact CZ3-CB 4.49Å; W73-M155 HydrophobicContact CD2-CE 3.74Å; W73-M155 HydrophobicContact CE3-CE 3.5Å; W73-M155 VanDerWaalsContact CE3-CE 3.5Å; W73-M155 HydrophobicContact CH2-CE 3.77Å; W73-M155 HydrophobicContact CH2-CG 3.96Å; W73-M155 HydrophobicContact CZ2-CE 3.97Å; W73-M155 HydrophobicContact CZ3-CE 3.52Å; W73-M155 HydrophobicContact CZ3-CG 4.07Å
74	N	83.1	Confident	79.2	Confident	84 Å²	84	80.8 Å²	80.8	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-39.2	179	-71.9	-15.1	0	0	0	112.1	N70 R72 N78	N70-N74 VanDerWaalsContact O-CB 3.31Å; N70-N74 WeakPolarHBondContact O-CB 3.37Å; N70-N74 PolarHBondContact O-N 2.97Å; N70-N74 PolarHBondContact O-ND2 3.21Å; R72-N74 PolarHBondContact O-N 3.08Å; N74-N78 VanDerWaalsContact O-CB 3.32Å; N74-N78 WeakPolarHBondContact O-CB 3.26Å; N74-N78 PolarHBondContact O-N 3.23Å; N74-N78 PolarHBondContact O-ND2 3.4Å; N74-N78 PolarHBondContact O-OD1 2.9Å
75	K	83.7	Confident	78.3	Confident	138 Å²	138	85.6 Å²	85.6	60%	0.6	38%	0.382	S	S	*	.	H	α-helix	trans	-61.1	-52.5	174.2	-175.8	177.7	178.8	178.3	0	111	R71 R72 W73 R77 N78 D79	R71-K75 WeakPolarHBondContact O-CB 3.29Å; R71-K75 PolarHBondContact O-N 3.41Å; R72-K75 PolarHBondContact O-N 3.17Å; W73-K75 VanDerWaalsContact C-N 3.33Å; W73-K75 PolarHBondContact O-N 3.04Å; K75-R77 VanDerWaalsContact C-N 3.31Å; K75-R77 PolarHBondContact O-N 2.8Å; K75-N78 PolarHBondContact O-N 2.8Å; K75-D79 WeakPolarHBondContact O-CB 3.46Å; K75-D79 PolarHBondContact O-N 3.29Å; K75-D79 VanDerWaalsContact O-OD1 3.11Å
76	L	79.2	Confident	76.9	Confident	21 Å²	21	82.9 Å²	82.9	11%	0.11	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-39.2	-179.6	-69.4	173.2	0	0	0	111.9	R72 W73 D79 F80 L151 M152 M155	R72-L76 WeakPolarHBondContact O-CG 3.44Å; R72-L76 PolarHBondContact O-N 3.43Å; W73-L76 PolarHBondContact O-N 2.95Å; L76-D79 PolarHBondContact O-N 3.41Å; L76-F80 VanDerWaalsContact O-CB 3.29Å; L76-F80 WeakPolarHBondContact O-CB 3.32Å; L76-F80 PolarHBondContact O-N 3.3Å; L76-L151 HydrophobicContact CD1-CB 3.42Å; L76-L151 VanDerWaalsContact CD1-CB 3.42Å; L76-L151 HydrophobicContact CD1-CD1 3.72Å; L76-L151 HydrophobicContact CD1-CG 4.22Å; L76-M152 HydrophobicContact CD2-CG 4.34Å; L76-M152 HydrophobicContact CD2-SD 3.85Å; L76-M155 HydrophobicContact CB-CE 3.65Å; L76-M155 HydrophobicContact CB-SD 3.93Å
77	R	78.6	Confident	75.6	Confident	125 Å²	125	84.7 Å²	84.7	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-46	176	178.6	177.7	176	-100.5	0	110.4	W73 K75 D79 F80 L81 M155	W73-R77 VanDerWaalsContact O-CB 3.26Å; W73-R77 WeakPolarHBondContact O-CB 3.31Å; W73-R77 PolarHBondContact O-N 3.11Å; K75-R77 VanDerWaalsContact C-N 3.31Å; K75-R77 PolarHBondContact O-N 2.8Å; R77-D79 VanDerWaalsContact C-N 3.35Å; R77-F80 PolarHBondContact O-N 3.49Å; R77-L81 HydrophobicContact CG-CD1 4.04Å; R77-L81 HydrophobicContact CG-CG 4.42Å; R77-L81 WeakPolarHBondContact O-CB 3.3Å; R77-L81 VanDerWaalsContact O-CG 3.23Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 2.61Å; R77-M155 HydrophobicContact CB-CE 3.9Å
78	N	78.1	Confident	73.7	Confident	74 Å²	74	85 Å²	85	40%	0.396	39%	0.392	S	S	.	.	H	α-helix	trans	-65.8	-39.3	176.9	-70.1	-10.5	0	0	0	111.5	N74 K75 F80 L81 R82	N74-N78 VanDerWaalsContact O-CB 3.32Å; N74-N78 WeakPolarHBondContact O-CB 3.26Å; N74-N78 PolarHBondContact O-N 3.23Å; N74-N78 PolarHBondContact O-ND2 3.4Å; N74-N78 PolarHBondContact O-OD1 2.9Å; K75-N78 PolarHBondContact O-N 2.8Å; N78-F80 VanDerWaalsContact C-N 3.35Å; N78-L81 PolarHBondContact O-N 2.77Å; N78-R82 WeakPolarHBondContact O-CB 3.32Å; N78-R82 VanDerWaalsContact O-CG 3.28Å; N78-R82 WeakPolarHBondContact O-CG 3.35Å; N78-R82 PolarHBondContact O-N 2.83Å
79	D	77.5	Confident	71.6	Confident	34 Å²	34	89.9 Å²	89.9	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-41.5	175.5	-66.4	0.8	0	0	0	110.9	K75 L76 R77 R82 R83	K75-D79 WeakPolarHBondContact O-CB 3.46Å; K75-D79 PolarHBondContact O-N 3.29Å; K75-D79 VanDerWaalsContact O-OD1 3.11Å; L76-D79 PolarHBondContact O-N 3.41Å; R77-D79 VanDerWaalsContact C-N 3.35Å; D79-R82 PolarHBondContact O-N 3.35Å; D79-R82 IonicContact OD1-CZ 2.61Å; D79-R82 IonicContact OD1-NH1 3.91Å; D79-R82 IonicContact OD1-NH2 3.73Å; D79-R82 PolarHBondContact OD1-NH2 3.46Å; D79-R83 VanDerWaalsContact O-CG 3.32Å; D79-R83 WeakPolarHBondContact O-CG 3.46Å; D79-R83 PolarHBondContact O-N 2.99Å
80	F	73.8	Confident	69.6	Low	50 Å²	50	94 Å²	94	22%	0.219	44%	0.441	C	S	.	.	H	α-helix	trans	-64.5	-49.2	175.3	-177.6	-90.9	0	0	0	111.6	L76 R77 N78 R82 R83 H84 L86 M155	L76-F80 VanDerWaalsContact O-CB 3.29Å; L76-F80 WeakPolarHBondContact O-CB 3.32Å; L76-F80 PolarHBondContact O-N 3.3Å; R77-F80 PolarHBondContact O-N 3.49Å; N78-F80 VanDerWaalsContact C-N 3.35Å; F80-R82 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 3.41Å; F80-R83 PolarHBondContact O-N 3.04Å; F80-R83 VanDerWaalsContact O-N 3.1Å; F80-H84 AromaticContact CD1-CD2 3.9Å; F80-H84 AromaticContact CD2-CD2 3.57Å; F80-H84 AromaticContact CD2-NE2 3.74Å; F80-H84 AromaticContact CE1-CD2 3.66Å; F80-H84 AromaticContact CE2-CD2 3.32Å; F80-H84 WeakPolarHBondContact CE2-CD2 3.11Å; F80-H84 AromaticContact CE2-NE2 3.21Å; F80-H84 WeakPolarHBondContact CE2-NE2 3.36Å; F80-H84 AromaticContact CG-CD2 3.86Å; F80-H84 AromaticContact CZ-CD2 3.36Å; F80-H84 WeakPolarHBondContact CZ-CD2 3.21Å; F80-H84 AromaticContact CZ-NE2 3.54Å; F80-H84 PolarHBondContact O-CD2 2.85Å; F80-H84 VanDerWaalsContact O-CD2 3.31Å; F80-H84 PolarHBondContact O-N 3.2Å; F80-L86 HydrophobicContact CE1-CD1 4.44Å; F80-M155 HydrophobicContact CB-SD 4.25Å
81	L	72.9	Confident	67.6	Low	35 Å²	35	98 Å²	98	18%	0.183	46%	0.462	C	S	.	.	H	α-helix	trans	-60.4	-37.4	177	-70.6	172.6	0	0	0	112	R77 N78 D85 L86	R77-L81 HydrophobicContact CG-CD1 4.04Å; R77-L81 HydrophobicContact CG-CG 4.42Å; R77-L81 WeakPolarHBondContact O-CB 3.3Å; R77-L81 VanDerWaalsContact O-CG 3.23Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 2.61Å; N78-L81 PolarHBondContact O-N 2.77Å; L81-D85 WeakPolarHBondContact O-CA 3.43Å; L81-D85 PolarHBondContact O-N 3.29Å; L81-D85 VanDerWaalsContact O-N 3.07Å; L81-L86 HydrophobicContact CD2-CB 3.69Å; L81-L86 HydrophobicContact CD2-CD1 4.3Å; L81-L86 PolarHBondContact O-N 3.04Å
82	R	74.3	Confident	65.2	Low	150 Å²	150	97 Å²	97	57%	0.566	46%	0.462	S	S	*	.	H	α-helix	trans	-68.1	-36.9	173.9	-74.8	-163.3	-52.2	-87.9	4.9	112.8	N78 D79 F80 L87	N78-R82 WeakPolarHBondContact O-CB 3.32Å; N78-R82 VanDerWaalsContact O-CG 3.28Å; N78-R82 WeakPolarHBondContact O-CG 3.35Å; N78-R82 PolarHBondContact O-N 2.83Å; D79-R82 PolarHBondContact O-N 3.35Å; D79-R82 IonicContact OD1-CZ 2.61Å; D79-R82 IonicContact OD1-NH1 3.91Å; D79-R82 IonicContact OD1-NH2 3.73Å; D79-R82 PolarHBondContact OD1-NH2 3.46Å; F80-R82 VanDerWaalsContact C-N 3.28Å; F80-R82 PolarHBondContact O-N 3.41Å; R82-L87 HydrophobicContact CG-CD1 4.07Å
83	R	71.5	Confident	62.9	Low	178 Å²	178	98.3 Å²	98.3	67%	0.672	49%	0.485	S	S	*	.	H	α-helix	trans	-70.8	-36	177.7	-76.6	177.7	-171.2	162	2.7	112.9	D79 F80	D79-R83 VanDerWaalsContact O-CG 3.32Å; D79-R83 WeakPolarHBondContact O-CG 3.46Å; D79-R83 PolarHBondContact O-N 2.99Å; F80-R83 PolarHBondContact O-N 3.04Å; F80-R83 VanDerWaalsContact O-N 3.1Å
84	H	67.3	Low	60.7	Low	107 Å²	107	101.6 Å²	101.6	50%	0.495	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	6.9	-179.2	-69.6	-77.1	0	0	0	113.3	F80 L86	F80-H84 AromaticContact CD1-CD2 3.9Å; F80-H84 AromaticContact CD2-CD2 3.57Å; F80-H84 AromaticContact CD2-NE2 3.74Å; F80-H84 AromaticContact CE1-CD2 3.66Å; F80-H84 AromaticContact CE2-CD2 3.32Å; F80-H84 WeakPolarHBondContact CE2-CD2 3.11Å; F80-H84 AromaticContact CE2-NE2 3.21Å; F80-H84 WeakPolarHBondContact CE2-NE2 3.36Å; F80-H84 AromaticContact CG-CD2 3.86Å; F80-H84 AromaticContact CZ-CD2 3.36Å; F80-H84 WeakPolarHBondContact CZ-CD2 3.21Å; F80-H84 AromaticContact CZ-NE2 3.54Å; F80-H84 PolarHBondContact O-CD2 2.85Å; F80-H84 VanDerWaalsContact O-CD2 3.31Å; F80-H84 PolarHBondContact O-N 3.2Å; H84-L86 HydrophobicContact CB-CD1 3.91Å; H84-L86 HydrophobicContact CB-CG 3.79Å; H84-L86 WeakPolarHBondContact O-CG 3.32Å; H84-L86 PolarHBondContact O-N 3.07Å
85	D	60.4	Low	58.6	Low	121 Å²	121	105.7 Å²	105.7	65%	0.647	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	33.9	-176	-154.5	17.2	0	0	0	114.2	L81 L87	L81-D85 WeakPolarHBondContact O-CA 3.43Å; L81-D85 PolarHBondContact O-N 3.29Å; L81-D85 VanDerWaalsContact O-N 3.07Å; D85-L87 PolarHBondContact O-N 2.89Å
86	L	54.8	Low	56.5	Low	68 Å²	68	102.9 Å²	102.9	36%	0.356	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-82.7	13.3	-178.9	-64.9	176.5	0	0	0	112.1	F80 L81 H84 S88 F89	F80-L86 HydrophobicContact CE1-CD1 4.44Å; L81-L86 HydrophobicContact CD2-CB 3.69Å; L81-L86 HydrophobicContact CD2-CD1 4.3Å; L81-L86 PolarHBondContact O-N 3.04Å; H84-L86 HydrophobicContact CB-CD1 3.91Å; H84-L86 HydrophobicContact CB-CG 3.79Å; H84-L86 WeakPolarHBondContact O-CG 3.32Å; H84-L86 PolarHBondContact O-N 3.07Å; L86-S88 PolarHBondContact O-N 3.2Å; L86-F89 HydrophobicContact CD2-CD2 3.86Å; L86-F89 HydrophobicContact CD2-CE2 3.84Å; L86-F89 PolarHBondContact O-N 3.15Å
87	L	52.3	Low	54.4	Low	117 Å²	117	109 Å²	109	61%	0.613	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-65.9	-23	177	-86.3	158.9	0	0	0	112.2	R82 D85	R82-L87 HydrophobicContact CG-CD1 4.07Å; D85-L87 PolarHBondContact O-N 2.89Å
88	S	43.3	Very low	52.2	Low	88 Å²	88	107.7 Å²	107.7	62%	0.615	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-90.1	10	-177.9	-64.6	0	0	0	0	115.3	L86 S90	L86-S88 PolarHBondContact O-N 3.2Å; S88-S90 PolarHBondContact O-N 3.26Å
89	F	39.2	Very low	50	Low	136 Å²	136	109.8 Å²	109.8	60%	0.596	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	38.4	175.1	-100.5	-94.1	0	0	0	113.2	L86 N91 F92	L86-F89 HydrophobicContact CD2-CD2 3.86Å; L86-F89 HydrophobicContact CD2-CE2 3.84Å; L86-F89 PolarHBondContact O-N 3.15Å; F89-N91 VanDerWaalsContact C-N 3.28Å; F89-F92 HydrophobicContact CD1-CB 3.41Å; F89-F92 VanDerWaalsContact CD1-CB 3.41Å; F89-F92 HydrophobicContact CD1-CD2 4.37Å; F89-F92 HydrophobicContact CD1-CG 4.01Å; F89-F92 HydrophobicContact CE1-CB 3.54Å; F89-F92 HydrophobicContact CE1-CD1 4.38Å; F89-F92 AromaticContact CE1-CD2 3.62Å; F89-F92 HydrophobicContact CE1-CD2 3.62Å; F89-F92 HydrophobicContact CE1-CE2 4.43Å; F89-F92 AromaticContact CE1-CG 3.59Å; F89-F92 HydrophobicContact CE1-CG 3.59Å; F89-F92 HydrophobicContact CZ-CD2 4.39Å
90	S	41.4	Very low	48.2	Very low	92 Å²	92	113.4 Å²	113.4	64%	0.643	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-12.6	161.6	58	0	0	0	0	112.4	S88	S88-S90 PolarHBondContact O-N 3.26Å
91	N	38.2	Very low	46.4	Very low	142 Å²	142	117.1 Å²	117.1	76%	0.759	63%	0.629	S	S	*	*	S	Bend	trans	-100.1	0	-174.4	-66.2	-13.3	0	0	0	115.2	F89 A93	F89-N91 VanDerWaalsContact C-N 3.28Å; N91-A93 VanDerWaalsContact C-N 3.32Å
92	F	34.3	Very low	45	Very low	140 Å²	140	125.1 Å²	125.1	61%	0.614	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	7.5	177.5	-143.5	-95.4	0	0	0	113.6	F89	F89-F92 HydrophobicContact CD1-CB 3.41Å; F89-F92 VanDerWaalsContact CD1-CB 3.41Å; F89-F92 HydrophobicContact CD1-CD2 4.37Å; F89-F92 HydrophobicContact CD1-CG 4.01Å; F89-F92 HydrophobicContact CE1-CB 3.54Å; F89-F92 HydrophobicContact CE1-CD1 4.38Å; F89-F92 AromaticContact CE1-CD2 3.62Å; F89-F92 HydrophobicContact CE1-CD2 3.62Å; F89-F92 HydrophobicContact CE1-CE2 4.43Å; F89-F92 AromaticContact CE1-CG 3.59Å; F89-F92 HydrophobicContact CE1-CG 3.59Å; F89-F92 HydrophobicContact CZ-CD2 4.39Å
93	A	34.9	Very low	43.4	Very low	85 Å²	85	125.8 Å²	125.8	70%	0.702	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-9	-180	0	0	0	0	0	114.2	N91	N91-A93 VanDerWaalsContact C-N 3.32Å
94	N	36.8	Very low	41.9	Very low	149 Å²	149	123.7 Å²	123.7	80%	0.797	67%	0.668	S	S	*	*	S	Bend	trans	-113	-5.7	-169.6	-78.6	-7.9	0	0	0	116.8
95	E	37.2	Very low	40.5	Very low	169 Å²	169	123.5 Å²	123.5	79%	0.79	67%	0.671	S	S	*	*	S	Bend	trans	-142.8	66.6	-174.1	-64.2	-176.3	-154.2	0	0	111.9
96	S	39.8	Very low	39.3	Very low	80 Å²	80	123 Å²	123	56%	0.559	68%	0.676	S	S	*	*			trans	-173.9	63.9	153	-79.3	0	0	0	0	109.5	T98	S96-T98 PolarHBondContact O-N 2.79Å
97	T	35.6	Very low	38.5	Very low	148 Å²	148	126.4 Å²	126.4	91%	0.908	69%	0.689	S	S	*	*			trans	-67.6	62.3	141.9	34.2	0	0	0	0	108
98	T	32.2	Very low	37.8	Very low	99 Å²	99	129.6 Å²	129.6	61%	0.607	70%	0.701	S	S	*	*			trans	-91.4	110.5	159.8	43.6	0	0	0	0	104.8	S96 V100	S96-T98 PolarHBondContact O-N 2.79Å; T98-V100 PolarHBondContact O-N 2.84Å
99	T	32.8	Very low	37.8	Very low	118 Å²	118	132.7 Å²	132.7	72%	0.724	71%	0.709	S	S	*	*			trans	-48.5	86.1	164.8	47.2	0	0	0	0	108.4	D101	T99-D101 PolarHBondContact O-N 3.36Å
100	V	38.5	Very low	37.8	Very low	110 Å²	110	131.1 Å²	131.1	67%	0.667	71%	0.712	S	S	*	*			trans	-74.2	94.1	156.8	-178.9	0	0	0	0	102.8	T98 R102	T98-V100 PolarHBondContact O-N 2.84Å; V100-R102 HydrophobicContact CG1-CB 4.34Å; V100-R102 PolarHBondContact O-N 3.48Å
101	D	37.5	Very low	37.6	Very low	128 Å²	128	132.5 Å²	132.5	68%	0.684	72%	0.722	S	S	*	*			trans	-55.6	75.5	160.3	-63.3	-45.3	0	0	0	106.7	T99 E103	T99-D101 PolarHBondContact O-N 3.36Å; D101-E103 PolarHBondContact O-N 2.84Å
102	R	42.7	Very low	37.3	Very low	203 Å²	203	131.5 Å²	131.5	77%	0.766	72%	0.721	S	S	*	*			trans	-78.8	78.2	166.5	-146.5	176.3	176.4	88.7	4.4	102.7	V100 N104	V100-R102 HydrophobicContact CG1-CB 4.34Å; V100-R102 PolarHBondContact O-N 3.48Å; R102-N104 PolarHBondContact O-N 2.84Å
103	E	39.7	Very low	37.5	Very low	163 Å²	163	130.7 Å²	130.7	76%	0.762	73%	0.727	S	S	*	*			trans	-50	93.9	159.8	-65.6	-174.6	174	0	0	105.2	D101 N105	D101-E103 PolarHBondContact O-N 2.84Å; E103-N105 PolarHBondContact O-N 2.97Å
104	N	40.7	Very low	37.9	Very low	135 Å²	135	134.1 Å²	134.1	72%	0.722	73%	0.733	S	S	*	*			trans	-66.4	76	160.2	-83.9	-6.9	0	0	0	104.2	R102 C106	R102-N104 PolarHBondContact O-N 2.84Å; N104-C106 PolarHBondContact O-N 3.31Å
105	N	37.7	Very low	38	Very low	103 Å²	103	132.1 Å²	132.1	55%	0.551	73%	0.728	S	S	*	*			trans	-66.4	89.1	164.5	-166.2	-25.1	0	0	0	104.8	E103 H107	E103-N105 PolarHBondContact O-N 2.97Å; N105-H107 PolarHBondContact ND2-NE2 2.86Å; N105-H107 PolarHBondContact O-N 2.85Å; N105-H107 PolarHBondContact OD1-CD2 3.48Å
106	C	35.1	Very low	38.1	Very low	111 Å²	111	129.8 Å²	129.8	75%	0.75	73%	0.73	S	S	*	*			trans	-59.8	78.6	162.1	-75.6	0	0	0	0	106.3	N104 E108	N104-C106 PolarHBondContact O-N 3.31Å; C106-E108 VanDerWaalsContact C-N 3.32Å; C106-E108 PolarHBondContact O-N 2.92Å
107	H	39.2	Very low	38.1	Very low	139 Å²	139	132 Å²	132	64%	0.644	74%	0.741	S	S	*	*			trans	-61.6	104.5	165.1	-88.4	-75.2	0	0	0	106.5	N105 I109	N105-H107 PolarHBondContact ND2-NE2 2.86Å; N105-H107 PolarHBondContact O-N 2.85Å; N105-H107 PolarHBondContact OD1-CD2 3.48Å; H107-I109 VanDerWaalsContact C-N 3.3Å; H107-I109 PolarHBondContact O-N 2.95Å
108	E	36.3	Very low	37.9	Very low	184 Å²	184	129.3 Å²	129.3	86%	0.86	73%	0.728	S	S	*	*			trans	-52.1	101.8	154.4	-67.3	-177.3	163.5	0	0	106.2	C106 P110	C106-E108 VanDerWaalsContact C-N 3.32Å; C106-E108 PolarHBondContact O-N 2.92Å; E108-P110 WeakPolarHBondContact O-CD 3.23Å
109	I	43.9	Very low	38	Very low	153 Å²	153	129.9 Å²	129.9	79%	0.785	74%	0.735	S	S	*	*			trans	-77.8	113.6	172.3	-63.1	168.5	0	0	0	105.2	H107 S111	H107-I109 VanDerWaalsContact C-N 3.3Å; H107-I109 PolarHBondContact O-N 2.95Å; I109-S111 PolarHBondContact O-N 3.1Å
110	P	39.5	Very low	38.3	Very low	102 Å²	102	128.8 Å²	128.8	66%	0.662	73%	0.728	S	S	*	*			trans	-64.5	122.8	172.5	-13.2	29.1	0	0	0	107.5	E108 T112	E108-P110 WeakPolarHBondContact O-CD 3.23Å; P110-T112 VanDerWaalsContact C-N 3.29Å; P110-T112 PolarHBondContact O-N 3.06Å; P110-T112 PolarHBondContact O-OG1 3.07Å
111	S	36.8	Very low	38.3	Very low	121 Å²	121	130.7 Å²	130.7	85%	0.846	73%	0.734	S	S	*	*			trans	-53.8	89.1	174.9	-176.5	0	0	0	0	110.2	I109	I109-S111 PolarHBondContact O-N 3.1Å
112	T	33	Very low	38.3	Very low	121 Å²	121	132.4 Å²	132.4	74%	0.742	74%	0.739	S	S	*	*			trans	-97.6	108.6	171	-52.4	0	0	0	0	107	P110 L114	P110-T112 VanDerWaalsContact C-N 3.29Å; P110-T112 PolarHBondContact O-N 3.06Å; P110-T112 PolarHBondContact O-OG1 3.07Å; T112-L114 PolarHBondContact O-N 3.35Å
113	V	37.4	Very low	37.8	Very low	123 Å²	123	133.9 Å²	133.9	75%	0.745	74%	0.744	S	S	*	*			trans	-44.9	112.5	178.3	178.6	0	0	0	0	110.2
114	L	42.9	Very low	37.6	Very low	158 Å²	158	134.3 Å²	134.3	83%	0.827	75%	0.751	S	S	*	*			trans	-72.5	127.5	165.1	-106.7	92.2	0	0	0	108.4	T112 S116	T112-L114 PolarHBondContact O-N 3.35Å; L114-S116 PolarHBondContact O-N 2.92Å
115	P	38.9	Very low	37.2	Very low	106 Å²	106	133.4 Å²	133.4	69%	0.688	75%	0.745	S	S	*	*			trans	-66.3	128.7	170	24.6	-29.1	0	0	0	109.9	T117	P115-T117 PolarHBondContact O-N 3.36Å
116	S	39.5	Very low	37	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	75%	0.751	S	S	*	*			trans	-57	97.9	175.4	-172.7	0	0	0	0	110.6	L114 S118	L114-S116 PolarHBondContact O-N 2.92Å; S116-S118 PolarHBondContact O-N 3.2Å
117	T	40.2	Very low	36.9	Very low	127 Å²	127	136.6 Å²	136.6	78%	0.779	75%	0.75	S	S	*	*			trans	-85.3	94.8	165.2	55	0	0	0	0	107.7	P115 C119	P115-T117 PolarHBondContact O-N 3.36Å; T117-C119 PolarHBondContact O-N 2.61Å
118	S	31.8	Very low	36.8	Very low	91 Å²	91	137.2 Å²	137.2	64%	0.636	76%	0.758	S	S	*	*			trans	-48.5	118.8	166.4	180	0	0	0	0	110	S116 T120	S116-S118 PolarHBondContact O-N 3.2Å; S118-T120 VanDerWaalsContact C-N 3.31Å; S118-T120 PolarHBondContact O-N 3.37Å
119	C	34.3	Very low	36.6	Very low	111 Å²	111	136.3 Å²	136.3	75%	0.75	75%	0.754	S	S	*	*			trans	-70.3	88	164.5	-73	0	0	0	0	108.9	T117 N121	T117-C119 PolarHBondContact O-N 2.61Å; C119-N121 PolarHBondContact O-N 2.87Å
120	T	38.9	Very low	36	Very low	95 Å²	95	134.8 Å²	134.8	58%	0.583	76%	0.755	S	S	*	*			trans	-76.7	99.8	154.5	44.6	0	0	0	0	107.3	S118 E122	S118-T120 VanDerWaalsContact C-N 3.31Å; S118-T120 PolarHBondContact O-N 3.37Å; T120-E122 VanDerWaalsContact C-N 3.25Å; T120-E122 PolarHBondContact O-N 3.38Å
121	N	38.4	Very low	35.8	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	76%	0.757	S	S	*	*			trans	-68.3	89.3	167.1	-69.9	-55.2	0	0	0	107.8	C119 R123	C119-N121 PolarHBondContact O-N 2.87Å; N121-R123 PolarHBondContact O-N 3.24Å
122	E	37.3	Very low	35.8	Very low	165 Å²	165	134.1 Å²	134.1	77%	0.771	75%	0.749	S	S	*	*			trans	-77	105	173.1	-60.8	-174.3	-155.2	0	0	108.2	T120 L124	T120-E122 VanDerWaalsContact C-N 3.25Å; T120-E122 PolarHBondContact O-N 3.38Å; E122-L124 PolarHBondContact O-N 3.21Å
123	R	33	Very low	36.3	Very low	233 Å²	233	133.2 Å²	133.2	88%	0.879	74%	0.743	S	S	*	*			trans	-64.2	88.8	175.6	-178	-177.7	-175.4	-178	0	109.7	N121	N121-R123 PolarHBondContact O-N 3.24Å
124	L	35.5	Very low	36.4	Very low	172 Å²	172	134.8 Å²	134.8	90%	0.901	75%	0.747	S	S	*	*			trans	-94.6	79	162.8	-155.6	89	0	0	0	106.3	E122	E122-L124 PolarHBondContact O-N 3.21Å
125	L	32.6	Very low	36.4	Very low	116 Å²	116	133.9 Å²	133.9	61%	0.607	74%	0.742	S	S	*	*				37.2	111.2	85.1	-154.2	67.3	0	0	0	114.7
126	E	33.4	Very low	36.7	Very low	146 Å²	146	134 Å²	134	68%	0.682	74%	0.743	S	S	*	*			trans	83	111.4	151.1	-75.3	164.4	-153.9	0	0	119.4
127	D	31.7	Very low	36.9	Very low	135 Å²	135	134 Å²	134	72%	0.722	74%	0.742	S	S	*	*			trans	64.8	98.3	130.9	-53.4	-18.1	0	0	0	117.2
128	N	37.6	Very low	37.4	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	74%	0.741	S	S	*	*			trans	-156.6	125.3	134.1	-95.1	-34	0	0	0	112.9
129	E	32.7	Very low	38.5	Very low	165 Å²	165	140.1 Å²	140.1	77%	0.771	75%	0.748	S	S	*	*			trans	56.8	92.3	146	-69.6	-177.2	130.4	0	0	118.9	S131	E129-S131 VanDerWaalsContact C-N 3.3Å; E129-S131 PolarHBondContact O-N 2.86Å
130	C	30.8	Very low	39.5	Very low	120 Å²	120	140.5 Å²	140.5	81%	0.811	75%	0.75	S	S	*	*			trans	-32.2	89.2	138.7	-168.2	0	0	0	0	112.5
131	S	35.5	Very low	40.6	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	74%	0.736	S	S	*	*			trans	-102.8	90.9	157	41.5	0	0	0	0	106.8	E129 V133	E129-S131 VanDerWaalsContact C-N 3.3Å; E129-S131 PolarHBondContact O-N 2.86Å; S131-V133 PolarHBondContact O-N 2.86Å
132	T	35.7	Very low	42.4	Very low	112 Å²	112	133.9 Å²	133.9	69%	0.687	72%	0.715	S	S	*	*			trans	-66.1	76.1	165.9	49.9	0	0	0	0	108.2	D134	T132-D134 PolarHBondContact O-N 3.36Å
133	V	44.9	Very low	44.1	Very low	102 Å²	102	134.4 Å²	134.4	62%	0.618	71%	0.71	S	S	*	*			trans	-73.4	107.7	160.1	-176.9	0	0	0	0	104.7	S131 L135	S131-V133 PolarHBondContact O-N 2.86Å; V133-L135 HydrophobicContact CG1-CD2 4.24Å; V133-L135 HydrophobicContact CG1-CG 4.06Å; V133-L135 PolarHBondContact O-N 2.84Å
134	D	39.6	Very low	46	Very low	155 Å²	155	129.4 Å²	129.4	83%	0.829	69%	0.694	S	S	*	*			trans	-57.6	72.8	167.6	-76.8	-45.8	0	0	0	109.5	T132 P136	T132-D134 PolarHBondContact O-N 3.36Å; D134-P136 WeakPolarHBondContact O-CD 3.41Å
135	L	42.5	Very low	47.8	Very low	139 Å²	139	125.6 Å²	125.6	73%	0.728	67%	0.672	S	S	*	*			trans	-68.9	121.9	170.5	-75.3	169	0	0	0	105.7	V133 C137	V133-L135 HydrophobicContact CG1-CD2 4.24Å; V133-L135 HydrophobicContact CG1-CG 4.06Å; V133-L135 PolarHBondContact O-N 2.84Å; L135-C137 PolarHBondContact O-N 3.5Å
136	P	44.5	Very low	49.9	Very low	110 Å²	110	125.9 Å²	125.9	71%	0.714	67%	0.668	S	S	*	*			trans	-53.1	116.1	-179.5	20	-31	0	0	0	107.3	D134 Q138	D134-P136 WeakPolarHBondContact O-CD 3.41Å; P136-Q138 VanDerWaalsContact C-N 3.32Å; P136-Q138 PolarHBondContact O-N 2.97Å
137	C	44.7	Very low	51.9	Low	118 Å²	118	119.2 Å²	119.2	80%	0.797	64%	0.637	S	S	*	*			trans	-43.8	99.6	-175.4	-169.5	0	0	0	0	107.8	L135 K139	L135-C137 PolarHBondContact O-N 3.5Å; C137-K139 VanDerWaalsContact C-N 3.32Å; C137-K139 PolarHBondContact O-N 3.33Å
138	Q	50.4	Low	54	Low	165 Å²	165	115 Å²	115	77%	0.771	62%	0.615	S	S	*	*			trans	-61.8	106.8	179.4	-73	-174.4	9.6	0	0	103.5	P136	P136-Q138 VanDerWaalsContact C-N 3.32Å; P136-Q138 PolarHBondContact O-N 2.97Å
139	K	54.3	Low	55.8	Low	182 Å²	182	115.5 Å²	115.5	79%	0.791	61%	0.605	S	S	*	*			trans	-38.7	122.4	-179.1	-71	179.4	179.4	175.8	0	106.7	C137 L141	C137-K139 VanDerWaalsContact C-N 3.32Å; C137-K139 PolarHBondContact O-N 3.33Å; K139-L141 VanDerWaalsContact C-N 3.32Å; K139-L141 PolarHBondContact O-N 2.81Å
140	P	55.6	Low	57.8	Low	119 Å²	119	111.1 Å²	111.1	77%	0.773	59%	0.586	S	S	*	*			trans	-56.6	104.4	-172.3	20.2	-31.6	0	0	0	107	S142	P140-S142 PolarHBondContact O-N 3Å; P140-S142 VanDerWaalsContact O-N 3.12Å
141	L	63	Low	59.9	Low	55 Å²	55	105.4 Å²	105.4	29%	0.288	55%	0.547	S	S	.	.			trans	-60	126.4	-175.8	-73.2	169.3	0	0	0	105.9	K139 E145 K146 R149	K139-L141 VanDerWaalsContact C-N 3.32Å; K139-L141 PolarHBondContact O-N 2.81Å; L141-E145 HydrophobicContact CB-CB 4.23Å; L141-E145 HydrophobicContact CD2-CB 4.08Å; L141-K146 HydrophobicContact CB-CG 3.83Å; L141-K146 WeakPolarHBondContact O-CE 3.15Å; L141-R149 VanDerWaalsContact CD1-NH1 3.28Å
142	S	76	Confident	61.8	Low	52 Å²	52	103.2 Å²	103.2	36%	0.364	53%	0.527	S	S	.	.			trans	-54.1	149	175	64.8	0	0	0	0	108.6	P140 K144 E145 K146	P140-S142 PolarHBondContact O-N 3Å; P140-S142 VanDerWaalsContact O-N 3.12Å; S142-K144 PolarHBondContact O-N 3.19Å; S142-E145 WeakPolarHBondContact CB-OE2 3.41Å; S142-E145 PolarHBondContact N-OE2 2.96Å; S142-E145 PolarHBondContact O-N 3.08Å; S142-E145 VanDerWaalsContact OG-CD 3.25Å; S142-E145 VanDerWaalsContact OG-CG 3.27Å; S142-E145 WeakPolarHBondContact OG-CG 3.4Å; S142-E145 PolarHBondContact OG-N 3.23Å; S142-E145 PolarHBondContact OG-OE2 2.91Å; S142-K146 PolarHBondContact O-N 3.43Å
143	R	72.4	Confident	63.5	Low	176 Å²	176	102.7 Å²	102.7	66%	0.664	52%	0.517	S	S	*	.	H	α-helix	trans	-50.8	-31.7	174.9	-164.9	179.8	-150.8	165.5	10	111.5	I147	R143-I147 HydrophobicContact CG-CD1 4.34Å; R143-I147 WeakPolarHBondContact O-CD1 3.28Å; R143-I147 VanDerWaalsContact O-CG1 3.23Å; R143-I147 WeakPolarHBondContact O-CG1 3.47Å; R143-I147 PolarHBondContact O-N 2.82Å
144	K	72.9	Confident	64.6	Low	128 Å²	128	99.3 Å²	99.3	56%	0.557	50%	0.495	S	S	*	.	H	α-helix	trans	-64.1	-45.5	174.8	-176.1	179.4	176.3	-170.1	0	112.8	S142 N148	S142-K144 PolarHBondContact O-N 3.19Å; K144-N148 PolarHBondContact O-N 3.18Å
145	E	73.9	Confident	65.9	Low	92 Å²	92	93.4 Å²	93.4	43%	0.43	46%	0.463	S	S	.	.	H	α-helix	trans	-68.3	-41.1	178.3	-73.9	159.1	149.8	0	0	112.2	L141 S142 I147 N148 R149	L141-E145 HydrophobicContact CB-CB 4.23Å; L141-E145 HydrophobicContact CD2-CB 4.08Å; S142-E145 WeakPolarHBondContact CB-OE2 3.41Å; S142-E145 PolarHBondContact N-OE2 2.96Å; S142-E145 PolarHBondContact O-N 3.08Å; S142-E145 VanDerWaalsContact OG-CD 3.25Å; S142-E145 VanDerWaalsContact OG-CG 3.27Å; S142-E145 WeakPolarHBondContact OG-CG 3.4Å; S142-E145 PolarHBondContact OG-N 3.23Å; S142-E145 PolarHBondContact OG-OE2 2.91Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 2.9Å; E145-N148 PolarHBondContact O-N 3.16Å; E145-R149 WeakPolarHBondContact O-CG 3.25Å; E145-R149 PolarHBondContact O-N 3.48Å
146	K	75.9	Confident	67	Low	122 Å²	122	90.9 Å²	90.9	53%	0.53	45%	0.453	S	S	.	.	H	α-helix	trans	-56.7	-47.8	175.1	-64.8	-175.6	-179.6	-175	0	111.4	L141 S142 N148 R149 I150	L141-K146 HydrophobicContact CB-CG 3.83Å; L141-K146 WeakPolarHBondContact O-CE 3.15Å; S142-K146 PolarHBondContact O-N 3.43Å; K146-N148 PolarHBondContact O-N 2.78Å; K146-R149 PolarHBondContact O-N 3.45Å; K146-I150 PolarHBondContact O-N 2.73Å; K146-I150 VanDerWaalsContact O-N 3.15Å
147	I	75.2	Confident	67.6	Low	6 Å²	6	87 Å²	87	3%	0.031	43%	0.428	C	S	.	.	H	α-helix	trans	-58.8	-48.1	175.4	-71.1	166.8	0	0	0	111.2	L62 C64 R72 R143 E145 R149 I150 L151	L62-I147 HydrophobicContact CB-CD1 4.32Å; L62-I147 HydrophobicContact CB-CG1 4Å; L62-I147 HydrophobicContact CD1-CG1 4.41Å; L62-I147 HydrophobicContact CD1-CG2 4Å; L62-I147 HydrophobicContact CD2-CG1 3.99Å; L62-I147 HydrophobicContact CG-CG1 4.33Å; C64-I147 HydrophobicContact CB-CD1 4.15Å; R72-I147 VanDerWaalsContact NH1-CD1 3.28Å; R143-I147 HydrophobicContact CG-CD1 4.34Å; R143-I147 WeakPolarHBondContact O-CD1 3.28Å; R143-I147 VanDerWaalsContact O-CG1 3.23Å; R143-I147 WeakPolarHBondContact O-CG1 3.47Å; R143-I147 PolarHBondContact O-N 2.82Å; E145-I147 VanDerWaalsContact C-N 3.33Å; E145-I147 PolarHBondContact O-N 2.9Å; I147-R149 VanDerWaalsContact C-N 3.32Å; I147-R149 PolarHBondContact O-N 3.06Å; I147-I150 PolarHBondContact O-N 3.35Å; I147-L151 HydrophobicContact CG2-CD1 3.93Å; I147-L151 HydrophobicContact CG2-CG 4.35Å; I147-L151 WeakPolarHBondContact O-CG 3.5Å; I147-L151 PolarHBondContact O-N 3.43Å
148	N	75.7	Confident	67.9	Low	47 Å²	47	87.4 Å²	87.4	25%	0.251	43%	0.428	S	S	.	.	H	α-helix	trans	-64	-37.4	-178.9	-74.3	-5.6	0	0	0	112.1	K144 E145 K146 L151 M152	K144-N148 PolarHBondContact O-N 3.18Å; E145-N148 PolarHBondContact O-N 3.16Å; K146-N148 PolarHBondContact O-N 2.78Å; N148-L151 PolarHBondContact O-N 2.91Å; N148-M152 WeakPolarHBondContact O-CB 3.45Å; N148-M152 VanDerWaalsContact O-CG 3.26Å; N148-M152 WeakPolarHBondContact O-CG 3.3Å; N148-M152 PolarHBondContact O-N 2.79Å
149	R	75.4	Confident	67.7	Low	162 Å²	162	89.1 Å²	89.1	61%	0.611	43%	0.429	S	S	*	.	H	α-helix	trans	-62.3	-46.4	175.7	-76.8	-177.4	69.2	-163.4	-0.2	112	L141 E145 K146 I147 L151 M152 H153	L141-R149 VanDerWaalsContact CD1-NH1 3.28Å; E145-R149 WeakPolarHBondContact O-CG 3.25Å; E145-R149 PolarHBondContact O-N 3.48Å; K146-R149 PolarHBondContact O-N 3.45Å; I147-R149 VanDerWaalsContact C-N 3.32Å; I147-R149 PolarHBondContact O-N 3.06Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 3.47Å; R149-M152 PolarHBondContact O-N 3.02Å; R149-H153 WeakPolarHBondContact O-CB 3.45Å; R149-H153 PolarHBondContact O-N 3.19Å
150	I	75.1	Confident	67	Low	73 Å²	73	82.9 Å²	82.9	37%	0.374	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-45.4	176.9	-66.5	165.4	0	0	0	110.4	L62 K146 I147 M152 H153 L154	L62-I150 HydrophobicContact CD2-CB 4.38Å; L62-I150 HydrophobicContact CD2-CD1 3.53Å; L62-I150 HydrophobicContact CD2-CG2 4.36Å; K146-I150 PolarHBondContact O-N 2.73Å; K146-I150 VanDerWaalsContact O-N 3.15Å; I147-I150 PolarHBondContact O-N 3.35Å; I150-M152 PolarHBondContact O-N 2.89Å; I150-H153 PolarHBondContact O-N 3.06Å; I150-L154 HydrophobicContact CG2-CD1 4.09Å; I150-L154 WeakPolarHBondContact O-CG 3.23Å; I150-L154 PolarHBondContact O-N 3.27Å
151	L	74.3	Confident	66.4	Low	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.2	-39	178.6	-70.1	-179.4	0	0	0	112.9	F69 R72 W73 L76 I147 N148 R149 L154 M155	F69-L151 HydrophobicContact CD2-CD2 4.43Å; F69-L151 HydrophobicContact CE2-CD2 3.5Å; F69-L151 HydrophobicContact CZ-CD2 3.87Å; R72-L151 HydrophobicContact CB-CD1 4.14Å; W73-L151 HydrophobicContact CE3-CD2 3.63Å; W73-L151 HydrophobicContact CZ3-CD2 3.97Å; L76-L151 HydrophobicContact CD1-CB 3.42Å; L76-L151 VanDerWaalsContact CD1-CB 3.42Å; L76-L151 HydrophobicContact CD1-CD1 3.72Å; L76-L151 HydrophobicContact CD1-CG 4.22Å; I147-L151 HydrophobicContact CG2-CD1 3.93Å; I147-L151 HydrophobicContact CG2-CG 4.35Å; I147-L151 WeakPolarHBondContact O-CG 3.5Å; I147-L151 PolarHBondContact O-N 3.43Å; N148-L151 PolarHBondContact O-N 2.91Å; R149-L151 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 3.47Å; L151-L154 HydrophobicContact CD2-CD1 4.34Å; L151-M155 WeakPolarHBondContact O-CG 3.41Å; L151-M155 PolarHBondContact O-N 2.81Å; L151-M155 VanDerWaalsContact O-N 3.17Å
152	M	75.1	Confident	65.6	Low	53 Å²	53	80.4 Å²	80.4	26%	0.261	39%	0.389	S	S	.	.	H	α-helix	trans	-65	-44	174.5	-77.4	-60.3	-53.5	0	0	111.3	L76 N148 R149 I150 L154 M155 T156	L76-M152 HydrophobicContact CD2-CG 4.34Å; L76-M152 HydrophobicContact CD2-SD 3.85Å; N148-M152 WeakPolarHBondContact O-CB 3.45Å; N148-M152 VanDerWaalsContact O-CG 3.26Å; N148-M152 WeakPolarHBondContact O-CG 3.3Å; N148-M152 PolarHBondContact O-N 2.79Å; R149-M152 PolarHBondContact O-N 3.02Å; I150-M152 PolarHBondContact O-N 2.89Å; M152-L154 VanDerWaalsContact C-N 3.32Å; M152-L154 PolarHBondContact O-N 3.38Å; M152-M155 PolarHBondContact O-N 2.76Å; M152-M155 VanDerWaalsContact O-N 3.08Å; M152-T156 PolarHBondContact O-N 2.9Å; M152-T156 PolarHBondContact O-OG1 3.13Å; M152-T156 VanDerWaalsContact O-OG1 3.11Å
153	H	71.1	Confident	63.9	Low	101 Å²	101	87.8 Å²	87.8	47%	0.468	41%	0.408	S	S	.	.	H	α-helix	trans	-58.2	-45.8	177	-172.7	68.9	0	0	0	111.4	R149 I150 M155 T156 S157	R149-H153 WeakPolarHBondContact O-CB 3.45Å; R149-H153 PolarHBondContact O-N 3.19Å; I150-H153 PolarHBondContact O-N 3.06Å; H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 PolarHBondContact O-N 2.72Å; H153-T156 WeakPolarHBondContact CA-OG1 3.49Å; H153-T156 PolarHBondContact O-N 3.08Å; H153-T156 PolarHBondContact O-OG1 2.94Å; H153-S157 WeakPolarHBondContact O-CB 3.2Å; H153-S157 PolarHBondContact O-N 3.38Å; H153-S157 PolarHBondContact O-OG 2.77Å
154	L	69	Low	62.5	Low	31 Å²	31	82.2 Å²	82.2	16%	0.162	39%	0.392	C	S	.	.	H	α-helix	trans	-60.4	-30.6	175.4	-71.6	168.6	0	0	0	113.7	L58 W73 I150 L151 M152 S157 L160 A165	L58-L154 HydrophobicContact CD1-CD1 4.44Å; L58-L154 HydrophobicContact CD2-CD1 3.87Å; W73-L154 HydrophobicContact CZ3-CB 4.49Å; I150-L154 HydrophobicContact CG2-CD1 4.09Å; I150-L154 WeakPolarHBondContact O-CG 3.23Å; I150-L154 PolarHBondContact O-N 3.27Å; L151-L154 HydrophobicContact CD2-CD1 4.34Å; M152-L154 VanDerWaalsContact C-N 3.32Å; M152-L154 PolarHBondContact O-N 3.38Å; L154-S157 PolarHBondContact O-OG 2.58Å; L154-L160 HydrophobicContact CD2-CB 4.31Å; L154-L160 HydrophobicContact CD2-CD2 3.67Å; L154-L160 HydrophobicContact CD2-CG 4.48Å; L154-A165 HydrophobicContact CD2-CB 4.31Å
155	M	66.8	Low	61.2	Low	30 Å²	30	77 Å²	77	15%	0.148	37%	0.372	C	S	.	.	H	α-helix	trans	-79.7	-37.7	176.5	-72.5	-174.5	-175.1	0	0	112.6	W73 L76 R77 F80 L151 M152 H153	W73-M155 HydrophobicContact CD2-CE 3.74Å; W73-M155 HydrophobicContact CE3-CE 3.5Å; W73-M155 VanDerWaalsContact CE3-CE 3.5Å; W73-M155 HydrophobicContact CH2-CE 3.77Å; W73-M155 HydrophobicContact CH2-CG 3.96Å; W73-M155 HydrophobicContact CZ2-CE 3.97Å; W73-M155 HydrophobicContact CZ3-CE 3.52Å; W73-M155 HydrophobicContact CZ3-CG 4.07Å; L76-M155 HydrophobicContact CB-CE 3.65Å; L76-M155 HydrophobicContact CB-SD 3.93Å; R77-M155 HydrophobicContact CB-CE 3.9Å; F80-M155 HydrophobicContact CB-SD 4.25Å; L151-M155 WeakPolarHBondContact O-CG 3.41Å; L151-M155 PolarHBondContact O-N 2.81Å; L151-M155 VanDerWaalsContact O-N 3.17Å; M152-M155 PolarHBondContact O-N 2.76Å; M152-M155 VanDerWaalsContact O-N 3.08Å; H153-M155 VanDerWaalsContact C-N 3.26Å; H153-M155 PolarHBondContact O-N 2.72Å
156	T	66.3	Low	59.7	Low	86 Å²	86	75.7 Å²	75.7	53%	0.528	37%	0.368	S	S	.	.	H	α-helix	trans	-76.2	-28.4	-179.6	50	0	0	0	0	112.7	M152 H153 T158	M152-T156 PolarHBondContact O-N 2.9Å; M152-T156 PolarHBondContact O-OG1 3.13Å; M152-T156 VanDerWaalsContact O-OG1 3.11Å; H153-T156 WeakPolarHBondContact CA-OG1 3.49Å; H153-T156 PolarHBondContact O-N 3.08Å; H153-T156 PolarHBondContact O-OG1 2.94Å; T156-T158 PolarHBondContact O-N 2.67Å
157	S	57.3	Low	58	Low	28 Å²	28	77.7 Å²	77.7	20%	0.196	37%	0.373	C	S	.	.			trans	-78.3	101.9	175	61.5	0	0	0	0	109.9	H153 L154 Y159 L160	H153-S157 WeakPolarHBondContact O-CB 3.2Å; H153-S157 PolarHBondContact O-N 3.38Å; H153-S157 PolarHBondContact O-OG 2.77Å; L154-S157 PolarHBondContact O-OG 2.58Å; S157-Y159 PolarHBondContact O-N 3.32Å; S157-L160 WeakPolarHBondContact OG-CD1 3.31Å
158	T	50.3	Low	56.6	Low	128 Å²	128	80.3 Å²	80.3	79%	0.785	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.8	172.7	25.9	0	0	0	0	113.6	T156	T156-T158 PolarHBondContact O-N 2.67Å
159	Y	45.6	Very low	55.1	Low	201 Å²	201	80.7 Å²	80.7	79%	0.788	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	4	-168.7	-71.8	-80.1	0	0	0	116	S157 S161	S157-Y159 PolarHBondContact O-N 3.32Å; Y159-S161 VanDerWaalsContact C-N 3.32Å; Y159-S161 PolarHBondContact O-N 3.32Å
160	L	40.1	Very low	53.8	Low	50 Å²	50	79.3 Å²	79.3	26%	0.262	40%	0.396	S	S	.	.			trans	-76.5	90	177.4	-99.6	104.6	0	0	0	110.6	L154 S157 D164 A165 V168	L154-L160 HydrophobicContact CD2-CB 4.31Å; L154-L160 HydrophobicContact CD2-CD2 3.67Å; L154-L160 HydrophobicContact CD2-CG 4.48Å; S157-L160 WeakPolarHBondContact OG-CD1 3.31Å; L160-D164 HydrophobicContact CB-CB 4.18Å; L160-D164 VanDerWaalsContact CD2-C 3.42Å; L160-D164 HydrophobicContact CD2-CB 3.66Å; L160-D164 HydrophobicContact CG-CB 3.51Å; L160-A165 HydrophobicContact CD2-CB 4.35Å; L160-V168 HydrophobicContact CD2-CG2 3.95Å
161	S	43.4	Very low	52.3	Low	66 Å²	66	82 Å²	82	46%	0.462	41%	0.407	S	S	.	.			trans	-53.2	153.6	156.4	165.5	0	0	0	0	108.5	Y159 R163 D164 A165	Y159-S161 VanDerWaalsContact C-N 3.32Å; Y159-S161 PolarHBondContact O-N 3.32Å; S161-R163 PolarHBondContact O-N 2.74Å; S161-R163 PolarHBondContact OG-N 2.66Å; S161-D164 WeakPolarHBondContact CB-OD2 3.49Å; S161-D164 PolarHBondContact N-OD2 3.09Å; S161-D164 WeakPolarHBondContact O-CA 3.32Å; S161-D164 WeakPolarHBondContact O-CB 3.37Å; S161-D164 PolarHBondContact O-N 2.74Å; S161-A165 PolarHBondContact O-N 3.43Å; S161-A165 VanDerWaalsContact O-N 3.15Å
162	I	46	Very low	50.7	Low	56 Å²	56	87.6 Å²	87.6	29%	0.287	44%	0.44	S	S	.	.	H	α-helix	trans	-54.2	-29.1	173.8	-70.2	162.3	0	0	0	111.3	R50 A54 D164 A165 D166	R50-I162 HydrophobicContact CB-CD1 4.44Å; R50-I162 HydrophobicContact CG-CD1 3.14Å; A54-I162 HydrophobicContact CB-CD1 3.83Å; A54-I162 HydrophobicContact CB-CG1 3.82Å; A54-I162 HydrophobicContact CB-CG2 4.17Å; I162-D164 VanDerWaalsContact C-N 3.31Å; I162-D164 PolarHBondContact O-N 2.95Å; I162-A165 PolarHBondContact O-N 3.5Å; I162-D166 PolarHBondContact O-N 3.25Å
163	R	40.9	Very low	49.1	Very low	207 Å²	207	96.1 Å²	96.1	78%	0.781	48%	0.479	S	S	*	.	H	α-helix	trans	-61	-39	171.7	-81.7	-167.3	-175.2	-167.1	2.2	112.7	S161 A165 D166 R167	S161-R163 PolarHBondContact O-N 2.74Å; S161-R163 PolarHBondContact OG-N 2.66Å; R163-A165 VanDerWaalsContact C-N 3.34Å; R163-D166 PolarHBondContact O-N 3.01Å; R163-R167 PolarHBondContact O-N 3.43Å
164	D	42.9	Very low	48	Very low	59 Å²	59	95.9 Å²	95.9	32%	0.316	48%	0.48	S	S	.	.	H	α-helix	trans	-75	-29.3	179.9	-55.6	-45	0	0	0	111.3	L160 S161 I162 D166 R167 V168	L160-D164 HydrophobicContact CB-CB 4.18Å; L160-D164 VanDerWaalsContact CD2-C 3.42Å; L160-D164 HydrophobicContact CD2-CB 3.66Å; L160-D164 HydrophobicContact CG-CB 3.51Å; S161-D164 WeakPolarHBondContact CB-OD2 3.49Å; S161-D164 PolarHBondContact N-OD2 3.09Å; S161-D164 WeakPolarHBondContact O-CA 3.32Å; S161-D164 WeakPolarHBondContact O-CB 3.37Å; S161-D164 PolarHBondContact O-N 2.74Å; I162-D164 VanDerWaalsContact C-N 3.31Å; I162-D164 PolarHBondContact O-N 2.95Å; D164-D166 VanDerWaalsContact C-N 3.27Å; D164-D166 PolarHBondContact O-N 3.15Å; D164-R167 PolarHBondContact O-N 3.05Å; D164-R167 VanDerWaalsContact O-N 3.08Å; D164-V168 WeakPolarHBondContact O-CG2 3.46Å; D164-V168 PolarHBondContact O-N 3.33Å
165	A	44.8	Very low	46.8	Very low	18 Å²	18	99.3 Å²	99.3	15%	0.149	50%	0.496	C	S	.	.	H	α-helix	trans	-63.8	-36.8	172.1	0	0	0	0	0	111.1	L154 L160 S161 I162 R163 L169	L154-A165 HydrophobicContact CD2-CB 4.31Å; L160-A165 HydrophobicContact CD2-CB 4.35Å; S161-A165 PolarHBondContact O-N 3.43Å; S161-A165 VanDerWaalsContact O-N 3.15Å; I162-A165 PolarHBondContact O-N 3.5Å; R163-A165 VanDerWaalsContact C-N 3.34Å; A165-L169 WeakPolarHBondContact O-CB 3.5Å; A165-L169 PolarHBondContact O-N 3.5Å
166	D	42.9	Very low	45.7	Very low	65 Å²	65	103.2 Å²	103.2	35%	0.348	52%	0.516	S	S	.	.	H	α-helix	trans	-72.1	-28.7	171.5	-71.8	-21.4	0	0	0	112.1	I162 R163 D164 L169 N170	I162-D166 PolarHBondContact O-N 3.25Å; R163-D166 PolarHBondContact O-N 3.01Å; D164-D166 VanDerWaalsContact C-N 3.27Å; D164-D166 PolarHBondContact O-N 3.15Å; D166-L169 WeakPolarHBondContact O-CB 3.26Å; D166-N170 PolarHBondContact O-N 2.96Å; D166-N170 VanDerWaalsContact O-N 3.14Å
167	R	40.5	Very low	44.5	Very low	164 Å²	164	104.2 Å²	104.2	62%	0.619	52%	0.515	S	S	*	.	H	α-helix	trans	-75.7	-49.9	178.3	-167.4	175	179.2	-116.2	-8.7	113	R163 D164 L169 N170 E171	R163-R167 PolarHBondContact O-N 3.43Å; D164-R167 PolarHBondContact O-N 3.05Å; D164-R167 VanDerWaalsContact O-N 3.08Å; R167-L169 PolarHBondContact O-N 3.12Å; R167-L169 VanDerWaalsContact O-N 3.15Å; R167-N170 PolarHBondContact O-N 3.35Å; R167-N170 VanDerWaalsContact O-N 3.14Å; R167-E171 IonicContact CZ-OE1 2.61Å; R167-E171 IonicContact NH2-OE1 3.53Å; R167-E171 PolarHBondContact O-N 2.95Å
168	V	44.2	Very low	43.7	Very low	61 Å²	61	108.9 Å²	108.9	37%	0.37	54%	0.535	S	S	.	.	H	α-helix	trans	-57.5	-28.5	171.9	174.6	0	0	0	0	110.3	L160 D164 V172	L160-V168 HydrophobicContact CD2-CG2 3.95Å; D164-V168 WeakPolarHBondContact O-CG2 3.46Å; D164-V168 PolarHBondContact O-N 3.33Å; V168-V172 WeakPolarHBondContact O-CG2 3.03Å
169	L	45	Very low	43.3	Very low	56 Å²	56	107.7 Å²	107.7	29%	0.293	52%	0.518	S	S	.	.	H	α-helix	trans	-72.2	-41.7	177.1	174.7	62	0	0	0	113.9	V61 A165 D166 R167 E171 V172	V61-L169 HydrophobicContact CB-CD1 3.94Å; V61-L169 HydrophobicContact CG1-CD1 3.19Å; V61-L169 HydrophobicContact CG1-CG 4.47Å; V61-L169 HydrophobicContact CG2-CD1 3.48Å; V61-L169 VanDerWaalsContact CG2-CD1 3.48Å; V61-L169 HydrophobicContact CG2-CD2 3.39Å; V61-L169 HydrophobicContact CG2-CG 4.03Å; A165-L169 WeakPolarHBondContact O-CB 3.5Å; A165-L169 PolarHBondContact O-N 3.5Å; D166-L169 WeakPolarHBondContact O-CB 3.26Å; R167-L169 PolarHBondContact O-N 3.12Å; R167-L169 VanDerWaalsContact O-N 3.15Å; L169-E171 VanDerWaalsContact C-N 3.25Å; L169-E171 PolarHBondContact O-N 3.3Å; L169-V172 PolarHBondContact O-N 3.22Å
170	N	48	Very low	43.1	Very low	133 Å²	133	101 Å²	101	71%	0.711	50%	0.499	S	S	*	.	H	α-helix	trans	-72.1	-19.8	179.4	-77.3	-8.6	0	0	0	113	D166 R167	D166-N170 PolarHBondContact O-N 2.96Å; D166-N170 VanDerWaalsContact O-N 3.14Å; R167-N170 PolarHBondContact O-N 3.35Å; R167-N170 VanDerWaalsContact O-N 3.14Å
171	E	44.3	Very low	43.4	Very low	130 Å²	130	104.9 Å²	104.9	61%	0.607	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.5	176.3	-69.8	178.2	-172.3	0	0	113.6	R167 L169 H173	R167-E171 IonicContact CZ-OE1 2.61Å; R167-E171 IonicContact NH2-OE1 3.53Å; R167-E171 PolarHBondContact O-N 2.95Å; L169-E171 VanDerWaalsContact C-N 3.25Å; L169-E171 PolarHBondContact O-N 3.3Å; E171-H173 VanDerWaalsContact C-N 3.34Å
172	V	40.2	Very low	43.4	Very low	116 Å²	116	108.2 Å²	108.2	70%	0.703	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	13.6	-177	177.8	0	0	0	0	112.8	V168 L169	V168-V172 WeakPolarHBondContact O-CG2 3.03Å; L169-V172 PolarHBondContact O-N 3.22Å
173	H	40.7	Very low	43.1	Very low	233 Å²	233	112.9 Å²	112.9	100%	1.079	54%	0.543	S	S	*	.			trans	-104.7	0	177.7	-155.1	-64.5	0	0	0	113	E171	E171-H173 VanDerWaalsContact C-N 3.34Å

Retrieved 173 of 173 residues in 32.6 ms (Link to these results)

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