A0A3Q0KS21_SCHMA Loading...

Putative endophilin B1

AlphaFold DB , UniProt , Accession A0A3Q0KS21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 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	35.1	Very low	43.2	Very low	236 Å²	236	141.5 Å²	141.5	100%	1.163	69%	0.692	S	S	*	*				0	17.2	0	-104.6	-171.5	-81.3	0	0	115.4
2	K	36.7	Very low	43.5	Very low	189 Å²	189	137.9 Å²	137.9	82%	0.822	68%	0.677	S	S	*	*			trans	-97.1	-6.1	-177	-85.6	-178.7	173.3	177.4	0	116.6
3	K	42.4	Very low	44.1	Very low	193 Å²	193	134.9 Å²	134.9	84%	0.839	67%	0.665	S	S	*	*	S	Bend	trans	-87.9	-7.9	-172.6	-76	-170.9	174.5	-177.8	0	116.2
4	F	38	Very low	45	Very low	189 Å²	189	136.4 Å²	136.4	83%	0.829	66%	0.66	S	S	*	*	S	Bend	trans	-95	-15	-180	-83.9	-80.3	0	0	0	114.5	T8	F4-T8 PolarHBondContact O-OG1 3.33Å
5	L	41.3	Very low	45.2	Very low	118 Å²	118	130.5 Å²	130.5	62%	0.618	64%	0.642	S	S	*	*	H	α-helix	trans	-84.7	-21.2	-177.8	-75.2	162.4	0	0	0	114	T8 N9	L5-T8 PolarHBondContact O-OG1 2.87Å; L5-T8 VanDerWaalsContact O-OG1 3.06Å; L5-N9 PolarHBondContact O-N 3.13Å
6	D	48.2	Very low	45.3	Very low	118 Å²	118	127.8 Å²	127.8	63%	0.631	63%	0.63	S	S	*	*	H	α-helix	trans	-75.9	-34.7	-179.4	-85.2	-17.9	0	0	0	113.3	T10	D6-T10 PolarHBondContact O-N 3.42Å; D6-T10 PolarHBondContact O-OG1 3.1Å
7	N	44.8	Very low	45.8	Very low	117 Å²	117	123.5 Å²	123.5	63%	0.626	61%	0.608	S	S	*	*	H	α-helix	trans	-75.7	-27.8	179.5	-87.8	-3.9	0	0	0	112.9	T10 K11	N7-T10 WeakPolarHBondContact CA-OG1 3.4Å; N7-T10 PolarHBondContact O-OG1 3.17Å; N7-K11 WeakPolarHBondContact O-CG 3.12Å; N7-K11 PolarHBondContact O-N 3.43Å
8	T	44.8	Very low	46.2	Very low	73 Å²	73	124.7 Å²	124.7	45%	0.448	61%	0.61	S	S	.	*	H	α-helix	trans	-73.1	-39.3	173.4	35.6	0	0	0	0	111.2	F4 L5 T10 K11 L12	F4-T8 PolarHBondContact O-OG1 3.33Å; L5-T8 PolarHBondContact O-OG1 2.87Å; L5-T8 VanDerWaalsContact O-OG1 3.06Å; T8-T10 VanDerWaalsContact C-N 3.35Å; T8-T10 PolarHBondContact O-N 3.46Å; T8-K11 PolarHBondContact O-N 3.09Å; T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 PolarHBondContact O-N 3.46Å
9	N	44.1	Very low	46.3	Very low	94 Å²	94	122.8 Å²	122.8	50%	0.503	61%	0.606	S	S	.	*	H	α-helix	trans	-63.4	-36.7	175.8	-91.4	-22.5	0	0	0	113.3	L5 N13	L5-N9 PolarHBondContact O-N 3.13Å; N9-N13 VanDerWaalsContact O-CB 3.27Å; N9-N13 WeakPolarHBondContact O-CB 3.31Å; N9-N13 VanDerWaalsContact O-CG 3.29Å; N9-N13 PolarHBondContact O-N 3.04Å; N9-N13 PolarHBondContact O-ND2 3.16Å; N9-N13 VanDerWaalsContact O-ND2 3.14Å
10	T	53.1	Low	46.4	Very low	73 Å²	73	121.7 Å²	121.7	45%	0.448	60%	0.603	S	S	.	*	H	α-helix	trans	-72.2	-39.5	175.6	29.5	0	0	0	0	112.6	D6 N7 T8 R14	D6-T10 PolarHBondContact O-N 3.42Å; D6-T10 PolarHBondContact O-OG1 3.1Å; N7-T10 WeakPolarHBondContact CA-OG1 3.4Å; N7-T10 PolarHBondContact O-OG1 3.17Å; T8-T10 VanDerWaalsContact C-N 3.35Å; T8-T10 PolarHBondContact O-N 3.46Å; T10-R14 WeakPolarHBondContact O-CB 3.47Å; T10-R14 WeakPolarHBondContact O-CG 3.43Å; T10-R14 PolarHBondContact O-N 3.1Å
11	K	47.1	Very low	46.4	Very low	157 Å²	157	119.9 Å²	119.9	68%	0.683	59%	0.593	S	S	*	*	H	α-helix	trans	-68.7	-41	175	-73.8	-174.2	179.4	-175.2	0	112.5	N7 T8 R14 A15	N7-K11 WeakPolarHBondContact O-CG 3.12Å; N7-K11 PolarHBondContact O-N 3.43Å; T8-K11 PolarHBondContact O-N 3.09Å; K11-R14 PolarHBondContact O-N 3.08Å; K11-A15 WeakPolarHBondContact O-CB 3.36Å; K11-A15 PolarHBondContact O-N 3.47Å
12	L	46.2	Very low	47	Very low	98 Å²	98	114.8 Å²	114.8	51%	0.513	58%	0.575	S	S	.	*	H	α-helix	trans	-62.5	-44.3	173.9	-95.7	158.4	0	0	0	111.3	T8 R14 A15 L16	T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.45Å; T8-L12 PolarHBondContact O-N 3.46Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 2.94Å; L12-A15 PolarHBondContact O-N 3.44Å; L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.32Å
13	N	51.4	Low	47.2	Very low	99 Å²	99	111.5 Å²	111.5	53%	0.529	57%	0.565	S	S	.	*	H	α-helix	trans	-64.4	-37	176	-80.3	-32.4	0	0	0	112.6	N9 Q17	N9-N13 VanDerWaalsContact O-CB 3.27Å; N9-N13 WeakPolarHBondContact O-CB 3.31Å; N9-N13 VanDerWaalsContact O-CG 3.29Å; N9-N13 PolarHBondContact O-N 3.04Å; N9-N13 PolarHBondContact O-ND2 3.16Å; N9-N13 VanDerWaalsContact O-ND2 3.14Å; N13-Q17 VanDerWaalsContact O-CB 3.25Å; N13-Q17 WeakPolarHBondContact O-CB 3.43Å; N13-Q17 PolarHBondContact O-N 2.88Å
14	R	56.5	Low	47.3	Very low	156 Å²	156	106.1 Å²	106.1	59%	0.589	56%	0.564	S	S	*	*	H	α-helix	trans	-66.3	-39.4	173.6	-75.4	177.2	178.1	-178.1	-0.6	112.3	T10 K11 L12 K18	T10-R14 WeakPolarHBondContact O-CB 3.47Å; T10-R14 WeakPolarHBondContact O-CG 3.43Å; T10-R14 PolarHBondContact O-N 3.1Å; K11-R14 PolarHBondContact O-N 3.08Å; L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 2.94Å; R14-K18 WeakPolarHBondContact O-CG 3.29Å; R14-K18 PolarHBondContact O-N 2.9Å; R14-K18 VanDerWaalsContact O-N 3.09Å
15	A	48.7	Very low	47.9	Very low	48 Å²	48	108 Å²	108	40%	0.397	57%	0.566	S	S	.	*	H	α-helix	trans	-70.2	-42.4	176.1	0	0	0	0	0	111.8	K11 L12 Q17 K18 T19	K11-A15 WeakPolarHBondContact O-CB 3.36Å; K11-A15 PolarHBondContact O-N 3.47Å; L12-A15 PolarHBondContact O-N 3.44Å; A15-Q17 VanDerWaalsContact C-N 3.31Å; A15-Q17 PolarHBondContact O-N 3.28Å; A15-K18 CarbonylContact O-C 3.55Å; A15-K18 WeakPolarHBondContact O-CA 3.49Å; A15-K18 WeakPolarHBondContact O-CB 3.47Å; A15-K18 PolarHBondContact O-N 3.07Å; A15-K18 VanDerWaalsContact O-N 3.13Å; A15-T19 PolarHBondContact O-N 2.75Å; A15-T19 PolarHBondContact O-OG1 3.16Å
16	L	47.2	Very low	48.6	Very low	86 Å²	86	105.9 Å²	105.9	45%	0.45	57%	0.565	S	S	.	*	H	α-helix	trans	-65.6	-33.8	175.1	-75.4	163.9	0	0	0	111.9	L12 T19 N20	L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.32Å; L16-T19 PolarHBondContact O-N 2.92Å; L16-N20 VanDerWaalsContact O-CB 3.29Å; L16-N20 WeakPolarHBondContact O-CB 3.46Å; L16-N20 PolarHBondContact O-N 2.91Å
17	Q	53.8	Low	49.4	Very low	55 Å²	55	106 Å²	106	26%	0.257	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-43	170.8	-168	166.5	-3.4	0	0	110.4	N13 A15 T19 N20 E21 L171	N13-Q17 VanDerWaalsContact O-CB 3.25Å; N13-Q17 WeakPolarHBondContact O-CB 3.43Å; N13-Q17 PolarHBondContact O-N 2.88Å; A15-Q17 VanDerWaalsContact C-N 3.31Å; A15-Q17 PolarHBondContact O-N 3.28Å; Q17-T19 VanDerWaalsContact C-N 3.32Å; Q17-T19 PolarHBondContact O-N 2.99Å; Q17-N20 PolarHBondContact O-N 2.94Å; Q17-E21 VanDerWaalsContact O-CG 3.28Å; Q17-E21 WeakPolarHBondContact O-CG 3.43Å; Q17-E21 PolarHBondContact O-N 3.47Å; Q17-L171 HydrophobicContact CG-CD2 4.34Å; Q17-L171 PolarHBondContact NE2-O 3.39Å
18	K	53	Low	50.9	Low	146 Å²	146	106.5 Å²	106.5	64%	0.635	56%	0.559	S	S	*	*	H	α-helix	trans	-61.3	-34.3	171.4	-73.3	-175.7	176.1	-167.6	0	113.6	R14 A15	R14-K18 WeakPolarHBondContact O-CG 3.29Å; R14-K18 PolarHBondContact O-N 2.9Å; R14-K18 VanDerWaalsContact O-N 3.09Å; A15-K18 CarbonylContact O-C 3.55Å; A15-K18 WeakPolarHBondContact O-CA 3.49Å; A15-K18 WeakPolarHBondContact O-CB 3.47Å; A15-K18 PolarHBondContact O-N 3.07Å; A15-K18 VanDerWaalsContact O-N 3.13Å
19	T	48.3	Very low	52.8	Low	88 Å²	88	103.7 Å²	103.7	54%	0.54	54%	0.541	S	S	.	.	H	α-helix	trans	-79.2	-37.8	178.2	-42.1	0	0	0	0	112.2	A15 L16 Q17 E21 V22	A15-T19 PolarHBondContact O-N 2.75Å; A15-T19 PolarHBondContact O-OG1 3.16Å; L16-T19 PolarHBondContact O-N 2.92Å; Q17-T19 VanDerWaalsContact C-N 3.32Å; Q17-T19 PolarHBondContact O-N 2.99Å; T19-E21 PolarHBondContact O-N 2.94Å; T19-V22 PolarHBondContact O-N 3.44Å
20	N	46.5	Very low	54.8	Low	100 Å²	100	107.4 Å²	107.4	54%	0.535	56%	0.555	S	S	.	*	H	α-helix	trans	-68.4	-19.8	174.9	-77.8	-14	0	0	0	112.5	L16 Q17 V22 I23	L16-N20 VanDerWaalsContact O-CB 3.29Å; L16-N20 WeakPolarHBondContact O-CB 3.46Å; L16-N20 PolarHBondContact O-N 2.91Å; Q17-N20 PolarHBondContact O-N 2.94Å; N20-V22 PolarHBondContact O-N 2.98Å; N20-I23 CarbonylContact O-C 3.6Å; N20-I23 PolarHBondContact O-N 3.29Å; N20-I23 VanDerWaalsContact O-N 3.08Å
21	E	47.8	Very low	56.6	Low	84 Å²	84	106.1 Å²	106.1	39%	0.393	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.6	172.4	-81.2	173.8	168	0	0	113.1	Q17 T19 I23 R170 L171	Q17-E21 VanDerWaalsContact O-CG 3.28Å; Q17-E21 WeakPolarHBondContact O-CG 3.43Å; Q17-E21 PolarHBondContact O-N 3.47Å; T19-E21 PolarHBondContact O-N 2.94Å; E21-I23 VanDerWaalsContact C-N 3.28Å; E21-I23 PolarHBondContact O-N 3.32Å; E21-R170 IonicContact OE1-NH2 3.99Å; E21-R170 PolarHBondContact OE1-NH2 3.18Å; E21-L171 VanDerWaalsContact OE1-CD2 3.27Å; E21-L171 WeakPolarHBondContact OE1-CD2 3.33Å
22	V	47.8	Very low	58.8	Low	130 Å²	130	101.8 Å²	101.8	79%	0.788	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-20.2	173.2	-179.1	0	0	0	0	111.7	T19 N20 G24	T19-V22 PolarHBondContact O-N 3.44Å; N20-V22 PolarHBondContact O-N 2.98Å; V22-G24 PolarHBondContact O-N 3.26Å
23	I	40.7	Very low	61.1	Low	119 Å²	119	105.6 Å²	105.6	61%	0.61	54%	0.543	S	S	*	.	S	Bend	trans	-105.1	67.2	-175.7	-51.5	176	0	0	0	109.5	N20 E21 R25	N20-I23 CarbonylContact O-C 3.6Å; N20-I23 PolarHBondContact O-N 3.29Å; N20-I23 VanDerWaalsContact O-N 3.08Å; E21-I23 VanDerWaalsContact C-N 3.28Å; E21-I23 PolarHBondContact O-N 3.32Å; I23-R25 VanDerWaalsContact C-N 3.26Å; I23-R25 PolarHBondContact O-N 3Å
24	G	44.9	Very low	63.1	Low	80 Å²	80	106.4 Å²	106.4	83%	0.825	54%	0.544	S	S	*	.	S	Bend	trans	39.9	17.4	145.4	0	0	0	0	0	122.5	V22	V22-G24 PolarHBondContact O-N 3.26Å
25	R	50.2	Low	65	Low	230 Å²	230	99 Å²	99	87%	0.868	52%	0.516	S	S	*	.			trans	-127.7	-8.4	-176.9	-71.5	-169.2	-178.3	-173.1	1.7	115.8	I23	I23-R25 VanDerWaalsContact C-N 3.26Å; I23-R25 PolarHBondContact O-N 3Å
26	A	56	Low	67.3	Low	73 Å²	73	100.3 Å²	100.3	60%	0.603	52%	0.519	S	S	*	.			trans	-93.1	107.9	173.7	0	0	0	0	0	109.7	K28	A26-K28 PolarHBondContact O-N 3.42Å; A26-K28 VanDerWaalsContact O-N 3.08Å
27	E	63.9	Low	69.5	Low	121 Å²	121	99.8 Å²	99.8	57%	0.565	52%	0.522	S	S	*	.			trans	-58.6	113.4	164.3	-81.7	168.7	-174	0	0	107.6	R177 K181	E27-R177 PolarHBondContact O-NH2 2.94Å; E27-K181 IonicContact OE1-NZ 2.62Å; E27-K181 PolarHBondContact OE1-NZ 3.43Å; E27-K181 IonicContact OE2-NZ 2.75Å; E27-K181 PolarHBondContact OE2-NZ 2.94Å
28	K	77.5	Confident	71.6	Confident	127 Å²	127	97.6 Å²	97.6	55%	0.552	51%	0.512	S	S	*	.			trans	-77.1	135.8	177.1	-177.2	174.5	-178.7	-179.3	0	108.7	A26 E30	A26-K28 PolarHBondContact O-N 3.42Å; A26-K28 VanDerWaalsContact O-N 3.08Å; K28-E30 PolarHBondContact O-N 3.26Å; K28-E30 VanDerWaalsContact O-N 3.09Å
29	T	84	Confident	73.7	Confident	13 Å²	13	92.4 Å²	92.4	8%	0.08	49%	0.491	C	S	.	.			trans	-64.7	113.1	164.8	-69.5	0	0	0	0	109	Y173 D174 R177 L201	T29-Y173 WeakPolarHBondContact OG1-CD1 3.36Å; T29-Y173 WeakPolarHBondContact OG1-CE1 3.35Å; T29-D174 VanDerWaalsContact CB-OD1 3.32Å; T29-D174 WeakPolarHBondContact CB-OD1 3.46Å; T29-D174 PolarHBondContact N-OD1 3.31Å; T29-D174 PolarHBondContact N-OD2 3.4Å; T29-D174 PolarHBondContact OG1-OD1 2.78Å; T29-R177 PolarHBondContact OG1-NH1 3.17Å; T29-R177 PolarHBondContact OG1-NH2 3.11Å; T29-L201 HydrophobicContact CG2-CD2 4.15Å
30	E	86.5	Confident	76	Confident	172 Å²	172	97.4 Å²	97.4	80%	0.804	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-83.9	143.2	175.1	-63	-175	167.1	0	0	109.8	K28	K28-E30 PolarHBondContact O-N 3.26Å; K28-E30 VanDerWaalsContact O-N 3.09Å
31	F	91.1	Very high	78.3	Confident	47 Å²	47	96.3 Å²	96.3	21%	0.206	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-91.7	153.2	172.4	-56.8	-57.6	0	0	0	109.3	F35 V36 L166 R170 L205	F31-F35 HydrophobicContact CB-CB 4.23Å; F31-F35 HydrophobicContact CB-CD1 3.49Å; F31-F35 VanDerWaalsContact CB-CD1 3.49Å; F31-F35 HydrophobicContact CB-CE1 4.21Å; F31-F35 HydrophobicContact CB-CG 4.09Å; F31-F35 AromaticContact CD2-CD1 3.86Å; F31-F35 HydrophobicContact CD2-CD1 3.86Å; F31-F35 AromaticContact CD2-CE1 3.68Å; F31-F35 HydrophobicContact CD2-CE1 3.68Å; F31-F35 HydrophobicContact CE2-CE1 4.19Å; F31-F35 AromaticContact CG-CD1 3.72Å; F31-F35 HydrophobicContact CG-CD1 3.72Å; F31-F35 AromaticContact CG-CE1 3.93Å; F31-F35 HydrophobicContact CG-CE1 3.93Å; F31-V36 HydrophobicContact CB-CG2 4.32Å; F31-L166 HydrophobicContact CE1-CD1 4.15Å; F31-L166 HydrophobicContact CE1-CD2 4.22Å; F31-L166 HydrophobicContact CE1-CG 4.27Å; F31-L166 HydrophobicContact CE2-CD2 4.22Å; F31-L166 HydrophobicContact CZ-CD1 4.18Å; F31-L166 HydrophobicContact CZ-CD2 3.82Å; F31-L166 HydrophobicContact CZ-CG 3.82Å; F31-R170 HydrophobicContact CZ-CG 4.41Å; F31-L205 HydrophobicContact CD1-CD1 3.55Å; F31-L205 HydrophobicContact CD1-CD2 4.19Å; F31-L205 HydrophobicContact CE1-CD1 3.83Å; F31-L205 HydrophobicContact CG-CD1 4.23Å
32	D	93.2	Very high	80.7	Confident	66 Å²	66	92.3 Å²	92.3	35%	0.353	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-61.1	158.4	176.8	59.6	72.9	0	0	0	112.7	E34 F35 V36 R209	D32-E34 PolarHBondContact O-N 3.28Å; D32-E34 WeakPolarHBondContact OD1-CB 2.86Å; D32-E34 PolarHBondContact OD1-N 3.2Å; D32-F35 PolarHBondContact O-N 3.49Å; D32-F35 WeakPolarHBondContact OD1-CB 3.5Å; D32-F35 PolarHBondContact OD1-N 2.9Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 3.42Å; D32-V36 VanDerWaalsContact O-N 3.09Å; D32-R209 IonicContact OD1-NH2 2.67Å; D32-R209 IonicContact OD2-CZ 3.15Å; D32-R209 IonicContact OD2-NH2 3.93Å; D32-R209 PolarHBondContact OD2-NH2 2.89Å
33	E	93.8	Very high	83.1	Confident	177 Å²	177	90.8 Å²	90.8	83%	0.827	46%	0.458	S	S	*	.	H	α-helix	trans	-59.6	-34.4	-176.8	-65.4	-176	174.3	0	0	112.9	V36 S37	E33-V36 PolarHBondContact O-N 2.9Å; E33-S37 VanDerWaalsContact O-CB 3.26Å; E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 2.91Å
34	E	94.8	Very high	85.8	Confident	116 Å²	116	88.9 Å²	88.9	54%	0.542	46%	0.455	S	S	.	.	H	α-helix	trans	-64.6	-47	178.5	-171.9	-171.1	165.2	0	0	110.7	D32 S37 L38	D32-E34 PolarHBondContact O-N 3.28Å; D32-E34 WeakPolarHBondContact OD1-CB 2.86Å; D32-E34 PolarHBondContact OD1-N 3.2Å; E34-S37 WeakPolarHBondContact O-CB 3.28Å; E34-S37 PolarHBondContact O-N 2.81Å; E34-L38 HydrophobicContact CG-CD1 4.32Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.16Å
35	F	96.6	Very high	88.3	Confident	1 Å²	1	85.6 Å²	85.6	0%	0.004	42%	0.419	C	S	.	.	H	α-helix	trans	-60.7	-46	176.5	-179.3	-89.6	0	0	0	111.7	F31 D32 S37 L38 L39 L163 L166 L205 T208 R209 L212	F31-F35 HydrophobicContact CB-CB 4.23Å; F31-F35 HydrophobicContact CB-CD1 3.49Å; F31-F35 VanDerWaalsContact CB-CD1 3.49Å; F31-F35 HydrophobicContact CB-CE1 4.21Å; F31-F35 HydrophobicContact CB-CG 4.09Å; F31-F35 AromaticContact CD2-CD1 3.86Å; F31-F35 HydrophobicContact CD2-CD1 3.86Å; F31-F35 AromaticContact CD2-CE1 3.68Å; F31-F35 HydrophobicContact CD2-CE1 3.68Å; F31-F35 HydrophobicContact CE2-CE1 4.19Å; F31-F35 AromaticContact CG-CD1 3.72Å; F31-F35 HydrophobicContact CG-CD1 3.72Å; F31-F35 AromaticContact CG-CE1 3.93Å; F31-F35 HydrophobicContact CG-CE1 3.93Å; D32-F35 PolarHBondContact O-N 3.49Å; D32-F35 WeakPolarHBondContact OD1-CB 3.5Å; D32-F35 PolarHBondContact OD1-N 2.9Å; F35-S37 VanDerWaalsContact C-N 3.3Å; F35-S37 PolarHBondContact O-N 3.5Å; F35-L38 PolarHBondContact O-N 3.49Å; F35-L39 HydrophobicContact CE1-CD2 4.49Å; F35-L39 PolarHBondContact O-N 3.22Å; F35-L163 HydrophobicContact CZ-CD2 4.4Å; F35-L166 HydrophobicContact CE1-CD2 4.06Å; F35-L166 HydrophobicContact CE2-CD2 4.06Å; F35-L166 HydrophobicContact CZ-CD2 3.38Å; F35-L205 HydrophobicContact CD1-CD1 4.26Å; F35-L205 HydrophobicContact CD2-CD1 3.5Å; F35-L205 VanDerWaalsContact CD2-CD1 3.5Å; F35-L205 HydrophobicContact CE1-CD1 4.28Å; F35-L205 HydrophobicContact CE2-CD1 3.52Å; F35-L205 HydrophobicContact CG-CD1 3.89Å; F35-L205 HydrophobicContact CZ-CD1 3.93Å; F35-T208 HydrophobicContact CE2-CG2 3.87Å; F35-T208 HydrophobicContact CZ-CG2 3.87Å; F35-R209 HydrophobicContact CD2-CB 4.08Å; F35-R209 HydrophobicContact CD2-CG 4.38Å; F35-R209 HydrophobicContact CE2-CB 4.44Å; F35-L212 HydrophobicContact CD2-CD1 4.22Å; F35-L212 HydrophobicContact CE2-CD1 3.67Å; F35-L212 HydrophobicContact CZ-CD1 3.87Å
36	V	95.1	Very high	90.5	Very high	76 Å²	76	76.6 Å²	76.6	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-62.1	-40.7	178.2	174.9	0	0	0	0	111	F31 D32 E33 L39 R40	F31-V36 HydrophobicContact CB-CG2 4.32Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 3.42Å; D32-V36 VanDerWaalsContact O-N 3.09Å; E33-V36 PolarHBondContact O-N 2.9Å; V36-L39 PolarHBondContact O-N 3.01Å; V36-R40 WeakPolarHBondContact O-CB 3.43Å; V36-R40 PolarHBondContact O-N 2.74Å
37	S	95	Very high	92.5	Very high	75 Å²	75	77 Å²	77	52%	0.524	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175.9	-176.2	0	0	0	0	112.2	E33 E34 F35 L39 R40 Q41	E33-S37 VanDerWaalsContact O-CB 3.26Å; E33-S37 WeakPolarHBondContact O-CB 3.47Å; E33-S37 PolarHBondContact O-N 2.91Å; E34-S37 WeakPolarHBondContact O-CB 3.28Å; E34-S37 PolarHBondContact O-N 2.81Å; F35-S37 VanDerWaalsContact C-N 3.3Å; F35-S37 PolarHBondContact O-N 3.5Å; S37-L39 PolarHBondContact O-N 2.79Å; S37-R40 PolarHBondContact O-N 3.08Å; S37-Q41 WeakPolarHBondContact O-CB 3.35Å; S37-Q41 PolarHBondContact O-N 2.97Å
38	L	97.2	Very high	94.1	Very high	8 Å²	8	73.3 Å²	73.3	4%	0.042	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-42.5	176	-74.7	169.5	0	0	0	112.1	E34 F35 Q41 A42 R209 L212 Q213	E34-L38 HydrophobicContact CG-CD1 4.32Å; E34-L38 WeakPolarHBondContact O-CG 3.49Å; E34-L38 PolarHBondContact O-N 3.16Å; F35-L38 PolarHBondContact O-N 3.49Å; L38-Q41 PolarHBondContact O-N 2.91Å; L38-A42 WeakPolarHBondContact O-CB 3.47Å; L38-A42 PolarHBondContact O-N 3.4Å; L38-R209 HydrophobicContact CD1-CG 3.74Å; L38-L212 HydrophobicContact CB-CB 3.94Å; L38-L212 HydrophobicContact CB-CD1 4.29Å; L38-Q213 HydrophobicContact CD1-CG 3.75Å; L38-Q213 HydrophobicContact CD2-CG 3.94Å
39	L	97	Very high	95	Very high	38 Å²	38	67.3 Å²	67.3	20%	0.199	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-48.4	176.9	177	57.6	0	0	0	111.1	F35 V36 S37 Q41 A42 E43 L163 L212	F35-L39 HydrophobicContact CE1-CD2 4.49Å; F35-L39 PolarHBondContact O-N 3.22Å; V36-L39 PolarHBondContact O-N 3.01Å; S37-L39 PolarHBondContact O-N 2.79Å; L39-Q41 VanDerWaalsContact C-N 3.3Å; L39-Q41 PolarHBondContact O-N 3.02Å; L39-A42 WeakPolarHBondContact O-CB 3.42Å; L39-A42 PolarHBondContact O-N 3.31Å; L39-A42 VanDerWaalsContact O-N 3.11Å; L39-E43 HydrophobicContact CD1-CG 4.23Å; L39-E43 WeakPolarHBondContact O-CG 3.42Å; L39-E43 PolarHBondContact O-N 3.43Å; L39-L163 HydrophobicContact CD1-CD1 3.7Å; L39-L163 HydrophobicContact CD1-CD2 3.82Å; L39-L163 HydrophobicContact CD1-CG 4.43Å; L39-L163 HydrophobicContact CD2-CD2 4.45Å; L39-L212 HydrophobicContact CB-CD1 4.07Å; L39-L212 HydrophobicContact CD1-CD2 4.18Å
40	R	96.1	Very high	95.6	Very high	193 Å²	193	70.8 Å²	70.8	73%	0.728	35%	0.354	S	S	*	.	H	α-helix	trans	-60.1	-40.7	177.7	-175.6	178.9	-179.4	172.5	1.3	111.9	V36 S37 A42 S44	V36-R40 WeakPolarHBondContact O-CB 3.43Å; V36-R40 PolarHBondContact O-N 2.74Å; S37-R40 PolarHBondContact O-N 3.08Å; R40-A42 VanDerWaalsContact C-N 3.34Å; R40-S44 WeakPolarHBondContact O-CB 3.43Å; R40-S44 PolarHBondContact O-N 3.31Å
41	Q	95.9	Very high	96.1	Very high	77 Å²	77	67.8 Å²	67.8	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175.5	-173.6	174.7	25.4	0	0	111	S37 L38 L39 S44 T45	S37-Q41 WeakPolarHBondContact O-CB 3.35Å; S37-Q41 PolarHBondContact O-N 2.97Å; L38-Q41 PolarHBondContact O-N 2.91Å; L39-Q41 VanDerWaalsContact C-N 3.3Å; L39-Q41 PolarHBondContact O-N 3.02Å; Q41-S44 PolarHBondContact O-N 3.09Å; Q41-T45 PolarHBondContact O-N 3.02Å; Q41-T45 PolarHBondContact O-OG1 2.95Å
42	A	97.3	Very high	96.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-44.9	179	0	0	0	0	0	112.7	L38 L39 R40 S44 T45 H46 W156 L212 V215	L38-A42 WeakPolarHBondContact O-CB 3.47Å; L38-A42 PolarHBondContact O-N 3.4Å; L39-A42 WeakPolarHBondContact O-CB 3.42Å; L39-A42 PolarHBondContact O-N 3.31Å; L39-A42 VanDerWaalsContact O-N 3.11Å; R40-A42 VanDerWaalsContact C-N 3.34Å; A42-S44 VanDerWaalsContact C-N 3.35Å; A42-T45 PolarHBondContact O-N 3.38Å; A42-H46 PolarHBondContact O-N 2.97Å; A42-W156 HydrophobicContact CB-CZ3 4.05Å; A42-W156 WeakPolarHBondContact O-CZ3 3.47Å; A42-L212 HydrophobicContact CB-CD2 3.55Å; A42-V215 HydrophobicContact CB-CB 4.45Å; A42-V215 HydrophobicContact CB-CG1 4.46Å; A42-V215 HydrophobicContact CB-CG2 3.86Å
43	E	97.6	Very high	96.4	Very high	98 Å²	98	66.4 Å²	66.4	46%	0.458	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-42.6	174.8	-70.6	174.7	154.4	0	0	111.8	L39 T45 H46 E47 W156	L39-E43 HydrophobicContact CD1-CG 4.23Å; L39-E43 WeakPolarHBondContact O-CG 3.42Å; L39-E43 PolarHBondContact O-N 3.43Å; E43-T45 VanDerWaalsContact C-N 3.35Å; E43-T45 PolarHBondContact O-N 2.93Å; E43-H46 PolarHBondContact O-N 3.37Å; E43-E47 PolarHBondContact O-N 3.33Å; E43-W156 HydrophobicContact CB-CH2 4.45Å; E43-W156 HydrophobicContact CG-CH2 3.91Å
44	S	97.4	Very high	96.2	Very high	79 Å²	79	62.5 Å²	62.5	55%	0.552	32%	0.315	S	S	*	.	H	α-helix	trans	-63.1	-40.9	175.6	-172.8	0	0	0	0	112	R40 Q41 A42 A48	R40-S44 WeakPolarHBondContact O-CB 3.43Å; R40-S44 PolarHBondContact O-N 3.31Å; Q41-S44 PolarHBondContact O-N 3.09Å; A42-S44 VanDerWaalsContact C-N 3.35Å; S44-A48 VanDerWaalsContact O-CB 3.24Å; S44-A48 WeakPolarHBondContact O-CB 3.36Å; S44-A48 PolarHBondContact O-N 2.77Å
45	T	97.4	Very high	96.2	Very high	10 Å²	10	59.7 Å²	59.7	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-41	176.1	-67.9	0	0	0	0	111.2	Q41 A42 E43 S49 F151 V215 V218 N219	Q41-T45 PolarHBondContact O-N 3.02Å; Q41-T45 PolarHBondContact O-OG1 2.95Å; A42-T45 PolarHBondContact O-N 3.38Å; E43-T45 VanDerWaalsContact C-N 3.35Å; E43-T45 PolarHBondContact O-N 2.93Å; T45-S49 VanDerWaalsContact O-CB 3.29Å; T45-S49 WeakPolarHBondContact O-CB 3.28Å; T45-S49 PolarHBondContact O-N 3.3Å; T45-S49 PolarHBondContact O-OG 3.33Å; T45-F151 HydrophobicContact CG2-CD1 4.45Å; T45-F151 HydrophobicContact CG2-CE1 3.69Å; T45-F151 HydrophobicContact CG2-CZ 3.91Å; T45-V215 HydrophobicContact CG2-CG1 3.73Å; T45-V218 HydrophobicContact CG2-CG1 4.18Å; T45-N219 WeakPolarHBondContact CG2-OD1 3.5Å; T45-N219 PolarHBondContact OG1-ND2 3.44Å; T45-N219 VanDerWaalsContact OG1-ND2 3.13Å; T45-N219 PolarHBondContact OG1-OD1 3.4Å
46	H	97.4	Very high	96	Very high	42 Å²	42	60.1 Å²	60.1	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-52.7	173.9	170.6	-95	0	0	0	111.8	A42 E43 A48 S49 K50 F151 W156	A42-H46 PolarHBondContact O-N 2.97Å; E43-H46 PolarHBondContact O-N 3.37Å; H46-A48 PolarHBondContact O-N 3.34Å; H46-S49 PolarHBondContact O-N 3.18Å; H46-K50 PolarHBondContact O-N 2.98Å; H46-F151 HydrophobicContact CB-CE1 4.26Å; H46-F151 HydrophobicContact CB-CZ 4.45Å; H46-W156 HydrophobicContact CB-CD2 3.77Å; H46-W156 HydrophobicContact CB-CE3 3.77Å; H46-W156 HydrophobicContact CB-CG 4.45Å; H46-W156 HydrophobicContact CB-CH2 3.9Å; H46-W156 HydrophobicContact CB-CZ2 3.9Å; H46-W156 HydrophobicContact CB-CZ3 3.83Å; H46-W156 AromaticContact CD2-CD1 3.15Å; H46-W156 AromaticContact CD2-CD2 3.46Å; H46-W156 VanDerWaalsContact CD2-CD2 3.46Å; H46-W156 AromaticContact CD2-CE2 3.41Å; H46-W156 VanDerWaalsContact CD2-CE2 3.41Å; H46-W156 AromaticContact CD2-CG 3.29Å; H46-W156 AromaticContact CD2-NE1 3.18Å; H46-W156 PolarHBondContact CD2-NE1 2.89Å; H46-W156 AromaticContact CE1-NE1 3.75Å; H46-W156 AromaticContact CG-CD2 3.67Å; H46-W156 AromaticContact CG-CE2 3.43Å; H46-W156 VanDerWaalsContact CG-CE2 3.43Å; H46-W156 AromaticContact CG-CZ2 3.77Å; H46-W156 AromaticContact CG-NE1 3.62Å; H46-W156 AromaticContact ND1-CE2 3.95Å; H46-W156 AromaticContact ND1-NE1 3.95Å; H46-W156 AromaticContact NE2-CD1 3.35Å; H46-W156 VanDerWaalsContact NE2-CD1 3.35Å; H46-W156 AromaticContact NE2-CE2 3.92Å; H46-W156 AromaticContact NE2-CG 3.99Å; H46-W156 AromaticContact NE2-NE1 3.26Å; H46-W156 PolarHBondContact NE2-NE1 3.08Å
47	E	96.9	Very high	95.7	Very high	82 Å²	82	59.3 Å²	59.3	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-42.9	-178.2	-172.6	55.9	-151.1	0	0	111.9	E43 S49 K50 Q51	E43-E47 PolarHBondContact O-N 3.33Å; E47-S49 PolarHBondContact O-N 3.42Å; E47-K50 PolarHBondContact O-N 2.96Å; E47-Q51 WeakPolarHBondContact O-CG 3.41Å; E47-Q51 PolarHBondContact O-N 3.04Å; E47-Q51 PolarHBondContact OE1-NE2 2.89Å
48	A	97.5	Very high	95.3	Very high	42 Å²	42	61.8 Å²	61.8	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-45.2	175.3	0	0	0	0	0	112	S44 H46 K50 Q51 I52	S44-A48 VanDerWaalsContact O-CB 3.24Å; S44-A48 WeakPolarHBondContact O-CB 3.36Å; S44-A48 PolarHBondContact O-N 2.77Å; H46-A48 PolarHBondContact O-N 3.34Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 2.68Å; A48-Q51 PolarHBondContact O-N 2.94Å; A48-I52 WeakPolarHBondContact O-CB 3.39Å; A48-I52 WeakPolarHBondContact O-CD1 3.37Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 2.69Å
49	S	97.5	Very high	94.8	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.007	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-179.5	-58.1	0	0	0	0	111.5	T45 H46 E47 M53 N222	T45-S49 VanDerWaalsContact O-CB 3.29Å; T45-S49 WeakPolarHBondContact O-CB 3.28Å; T45-S49 PolarHBondContact O-N 3.3Å; T45-S49 PolarHBondContact O-OG 3.33Å; H46-S49 PolarHBondContact O-N 3.18Å; E47-S49 PolarHBondContact O-N 3.42Å; S49-M53 WeakPolarHBondContact O-CB 3.34Å; S49-M53 PolarHBondContact O-N 3.47Å; S49-N222 PolarHBondContact OG-ND2 2.53Å
50	K	95.6	Very high	94.4	Very high	86 Å²	86	64.4 Å²	64.4	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-63	-52.4	176.5	-177.2	-176.8	170.8	-168.7	0	111.7	H46 E47 A48 I52 M53 E54 L152	H46-K50 PolarHBondContact O-N 2.98Å; E47-K50 PolarHBondContact O-N 2.96Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 2.68Å; K50-I52 VanDerWaalsContact C-N 3.34Å; K50-I52 PolarHBondContact O-N 2.68Å; K50-M53 PolarHBondContact O-N 3.03Å; K50-E54 WeakPolarHBondContact CE-OE1 3.48Å; K50-E54 WeakPolarHBondContact O-CG 3.34Å; K50-E54 PolarHBondContact O-N 3.42Å; K50-L152 HydrophobicContact CB-CD1 4.38Å; K50-L152 HydrophobicContact CB-CD2 4.2Å
51	Q	97	Very high	93.4	Very high	109 Å²	109	57.1 Å²	57.1	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-39.8	-178.9	-70	-178.3	26.3	0	0	112.4	E47 A48 A55	E47-Q51 WeakPolarHBondContact O-CG 3.41Å; E47-Q51 PolarHBondContact O-N 3.04Å; E47-Q51 PolarHBondContact OE1-NE2 2.89Å; A48-Q51 PolarHBondContact O-N 2.94Å; Q51-A55 VanDerWaalsContact O-CB 3.26Å; Q51-A55 WeakPolarHBondContact O-CB 3.27Å; Q51-A55 PolarHBondContact O-N 3.48Å
52	I	96.4	Very high	92	Very high	58 Å²	58	57.7 Å²	57.7	30%	0.297	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-45.5	176.9	-67.9	167.5	0	0	0	110.4	A48 K50 A55 I56 L148 L226	A48-I52 WeakPolarHBondContact O-CB 3.39Å; A48-I52 WeakPolarHBondContact O-CD1 3.37Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 2.69Å; K50-I52 VanDerWaalsContact C-N 3.34Å; K50-I52 PolarHBondContact O-N 2.68Å; I52-A55 PolarHBondContact O-N 3.28Å; I52-I56 HydrophobicContact CG2-CD1 3.66Å; I52-I56 HydrophobicContact CG2-CG1 4.34Å; I52-I56 VanDerWaalsContact O-CG1 3.28Å; I52-I56 WeakPolarHBondContact O-CG1 3.46Å; I52-I56 PolarHBondContact O-N 3Å; I52-L148 HydrophobicContact CB-CD1 4.31Å; I52-L148 HydrophobicContact CG2-CD1 3.71Å; I52-L226 HydrophobicContact CG2-CD2 4.25Å
53	M	94.2	Very high	90.1	Very high	26 Å²	26	60.2 Å²	60.2	13%	0.128	32%	0.318	C	S	.	.	H	α-helix	trans	-60.2	-50.2	178.8	-165.5	179.9	82.6	0	0	110.8	S49 K50 A55 I56 E57 Y85 L145 L148 H149 L152	S49-M53 WeakPolarHBondContact O-CB 3.34Å; S49-M53 PolarHBondContact O-N 3.47Å; K50-M53 PolarHBondContact O-N 3.03Å; M53-A55 VanDerWaalsContact C-N 3.32Å; M53-A55 PolarHBondContact O-N 2.92Å; M53-I56 PolarHBondContact O-N 2.94Å; M53-E57 WeakPolarHBondContact O-CB 3.44Å; M53-E57 WeakPolarHBondContact O-CG 3.3Å; M53-E57 PolarHBondContact O-N 3.3Å; M53-Y85 HydrophobicContact SD-CE2 4.27Å; M53-L145 HydrophobicContact CB-CD2 4.49Å; M53-L145 HydrophobicContact CG-CD2 3.72Å; M53-L148 HydrophobicContact CB-CB 4.41Å; M53-L148 HydrophobicContact CB-CD1 4.21Å; M53-H149 HydrophobicContact SD-CB 4.08Å; M53-L152 HydrophobicContact CE-CD1 4.18Å; M53-L152 HydrophobicContact SD-CD1 3.95Å
54	E	90.9	Very high	87.9	Confident	96 Å²	96	62.6 Å²	62.6	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-41.5	177.7	-71.6	176.1	-176.7	0	0	112.2	K50 Q58	K50-E54 WeakPolarHBondContact CE-OE1 3.48Å; K50-E54 WeakPolarHBondContact O-CG 3.34Å; K50-E54 PolarHBondContact O-N 3.42Å; E54-Q58 WeakPolarHBondContact O-CB 3.48Å; E54-Q58 PolarHBondContact O-N 2.89Å
55	A	93.1	Very high	85.5	Confident	56 Å²	56	63.3 Å²	63.3	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-67.4	-41.5	178.9	0	0	0	0	0	112.5	Q51 I52 M53 W59	Q51-A55 VanDerWaalsContact O-CB 3.26Å; Q51-A55 WeakPolarHBondContact O-CB 3.27Å; Q51-A55 PolarHBondContact O-N 3.48Å; I52-A55 PolarHBondContact O-N 3.28Å; M53-A55 VanDerWaalsContact C-N 3.32Å; M53-A55 PolarHBondContact O-N 2.92Å; A55-W59 VanDerWaalsContact O-CB 3.31Å; A55-W59 WeakPolarHBondContact O-CB 3.24Å; A55-W59 PolarHBondContact O-N 3.49Å
56	I	92.9	Very high	83.3	Confident	10 Å²	10	70.2 Å²	70.2	5%	0.051	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-43.3	177.3	-67.7	169.7	0	0	0	110.3	I52 M53 W59 I60 T144 L145 L148 L229	I52-I56 HydrophobicContact CG2-CD1 3.66Å; I52-I56 HydrophobicContact CG2-CG1 4.34Å; I52-I56 VanDerWaalsContact O-CG1 3.28Å; I52-I56 WeakPolarHBondContact O-CG1 3.46Å; I52-I56 PolarHBondContact O-N 3Å; M53-I56 PolarHBondContact O-N 2.94Å; I56-W59 PolarHBondContact O-N 3.39Å; I56-I60 HydrophobicContact CG2-CD1 3.6Å; I56-I60 HydrophobicContact CG2-CG1 4.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.35Å; I56-I60 PolarHBondContact O-N 3.32Å; I56-T144 HydrophobicContact CD1-CG2 3.64Å; I56-L145 HydrophobicContact CB-CD2 3.87Å; I56-L145 HydrophobicContact CD1-CD2 4.47Å; I56-L145 HydrophobicContact CG2-CD1 4.03Å; I56-L145 HydrophobicContact CG2-CD2 3.68Å; I56-L145 HydrophobicContact CG2-CG 4.02Å; I56-L148 HydrophobicContact CD1-CD1 4.45Å; I56-L229 HydrophobicContact CD1-CD1 4.42Å; I56-L229 HydrophobicContact CD1-CD2 4.02Å; I56-L229 HydrophobicContact CG1-CD2 4.43Å
57	E	89.2	Confident	81	Confident	60 Å²	60	77.1 Å²	77.1	28%	0.28	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-47	176.5	-73.9	176.3	168.2	0	0	111.6	M53 W59 I60 N61 Y85 L87 L145	M53-E57 WeakPolarHBondContact O-CB 3.44Å; M53-E57 WeakPolarHBondContact O-CG 3.3Å; M53-E57 PolarHBondContact O-N 3.3Å; E57-W59 VanDerWaalsContact C-N 3.3Å; E57-W59 PolarHBondContact O-N 2.9Å; E57-I60 PolarHBondContact O-N 2.96Å; E57-N61 PolarHBondContact O-N 2.96Å; E57-Y85 WeakPolarHBondContact CG-OH 3.29Å; E57-Y85 WeakPolarHBondContact OE1-CE2 3.41Å; E57-Y85 PolarHBondContact OE1-OH 2.93Å; E57-L87 HydrophobicContact CG-CD1 4.26Å; E57-L145 HydrophobicContact CG-CD2 4.17Å
58	Q	86.3	Confident	78.6	Confident	127 Å²	127	81 Å²	81	59%	0.593	41%	0.411	S	S	*	.	H	α-helix	trans	-63	-36.8	176.9	-176.3	175	16.1	0	0	112.4	E54 N61	E54-Q58 WeakPolarHBondContact O-CB 3.48Å; E54-Q58 PolarHBondContact O-N 2.89Å; Q58-N61 CarbonylContact O-C 3.4Å
59	W	87.6	Confident	76.2	Confident	100 Å²	100	83.4 Å²	83.4	38%	0.379	42%	0.418	S	S	.	.	H	α-helix	trans	-70.3	-44.1	177.8	169.4	54.8	0	0	0	112.5	A55 I56 E57 R136 L140 L229 Q233	A55-W59 VanDerWaalsContact O-CB 3.31Å; A55-W59 WeakPolarHBondContact O-CB 3.24Å; A55-W59 PolarHBondContact O-N 3.49Å; I56-W59 PolarHBondContact O-N 3.39Å; E57-W59 VanDerWaalsContact C-N 3.3Å; E57-W59 PolarHBondContact O-N 2.9Å; W59-R136 VanDerWaalsContact CZ3-NH1 3.25Å; W59-L140 HydrophobicContact CH2-CD1 4.19Å; W59-L140 HydrophobicContact CZ3-CD1 3.58Å; W59-L229 HydrophobicContact CZ3-CD1 3.88Å; W59-Q233 HydrophobicContact CH2-CG 3.58Å; W59-Q233 HydrophobicContact CZ2-CG 4.31Å; W59-Q233 HydrophobicContact CZ3-CG 4.38Å
60	I	87.4	Confident	74.1	Confident	1 Å²	1	88.7 Å²	88.7	1%	0.005	45%	0.446	C	S	.	.	H	α-helix	trans	-68.4	-38.4	179.5	-69.8	169.8	0	0	0	111.5	I56 E57 P62 L87 N137 L140 L145	I56-I60 HydrophobicContact CG2-CD1 3.6Å; I56-I60 HydrophobicContact CG2-CG1 4.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.35Å; I56-I60 PolarHBondContact O-N 3.32Å; E57-I60 PolarHBondContact O-N 2.96Å; I60-P62 VanDerWaalsContact C-CD 3.48Å; I60-P62 WeakPolarHBondContact O-CD 3.35Å; I60-L87 HydrophobicContact CD1-CD2 3.89Å; I60-L87 HydrophobicContact CG2-CD2 4.02Å; I60-N137 HydrophobicContact CG2-CB 4.15Å; I60-N137 WeakPolarHBondContact CG2-ND2 3.43Å; I60-N137 WeakPolarHBondContact CG2-OD1 3.32Å; I60-L140 HydrophobicContact CD1-CB 4Å; I60-L140 HydrophobicContact CD1-CD1 3.67Å; I60-L140 HydrophobicContact CD1-CG 4.49Å; I60-L140 HydrophobicContact CG1-CD1 4.1Å; I60-L145 HydrophobicContact CD1-CD1 4.07Å
61	N	75.9	Confident	71.9	Confident	39 Å²	39	89.9 Å²	89.9	21%	0.209	46%	0.46	C	S	.	.			trans	-121.2	81	-178.8	-172	0.2	0	0	0	110.4	E57 Q58 C63 K88 P90	E57-N61 PolarHBondContact O-N 2.96Å; Q58-N61 CarbonylContact O-C 3.4Å; N61-C63 PolarHBondContact O-N 2.85Å; N61-C63 WeakPolarHBondContact OD1-CB 3.36Å; N61-C63 PolarHBondContact OD1-N 3.45Å; N61-C63 PolarHBondContact OD1-SG 3.22Å; N61-K88 PolarHBondContact ND2-O 3.48Å; N61-P90 WeakPolarHBondContact OD1-CD 3.49Å; N61-P90 WeakPolarHBondContact OD1-CG 3.43Å
62	P	65.9	Low	69.6	Low	90 Å²	90	87.6 Å²	87.6	58%	0.584	46%	0.46	S	S	*	.			trans	-65.4	11.2	177.4	-20.2	32.3	0	0	0	114.9	I60 V64	I60-P62 VanDerWaalsContact C-CD 3.48Å; I60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-V64 PolarHBondContact O-N 3.42Å
63	C	57.1	Low	67.2	Low	53 Å²	53	86 Å²	86	36%	0.358	45%	0.454	S	S	.	.			trans	-51	116	-172.3	-94.1	0	0	0	0	113.1	N61 L65 P90	N61-C63 PolarHBondContact O-N 2.85Å; N61-C63 WeakPolarHBondContact OD1-CB 3.36Å; N61-C63 PolarHBondContact OD1-N 3.45Å; N61-C63 PolarHBondContact OD1-SG 3.22Å; C63-L65 HydrophobicContact CB-CB 4.5Å; C63-L65 PolarHBondContact O-N 2.96Å; C63-P90 VanDerWaalsContact SG-CG 3.51Å
64	V	52	Low	65.1	Low	147 Å²	147	91.7 Å²	91.7	89%	0.891	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	2.5	166.8	178.1	0	0	0	0	112.6	P62	P62-V64 PolarHBondContact O-N 3.42Å
65	L	47.3	Very low	63.1	Low	95 Å²	95	91.4 Å²	91.4	50%	0.497	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	21.5	-173.1	-70.2	172.5	0	0	0	115	C63 K67 F68	C63-L65 HydrophobicContact CB-CB 4.5Å; C63-L65 PolarHBondContact O-N 2.96Å; L65-K67 PolarHBondContact O-N 3.06Å; L65-F68 HydrophobicContact CD2-CD2 4.45Å; L65-F68 PolarHBondContact O-N 3.18Å; L65-F68 VanDerWaalsContact O-N 3.14Å
66	K	50.6	Low	60.9	Low	154 Å²	154	95 Å²	95	67%	0.67	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-7.7	168.6	-82.2	-168.7	175.2	-177.2	0	114.9
67	K	48.9	Very low	58.6	Low	187 Å²	187	97.4 Å²	97.4	81%	0.813	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-22.5	179.8	-65.8	-172.1	178	-179.7	0	115.8	L65	L65-K67 PolarHBondContact O-N 3.06Å
68	F	46.6	Very low	56.6	Low	164 Å²	164	101.8 Å²	101.8	72%	0.719	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-35.1	-173.1	-77	-77.8	0	0	0	113.9	L65 D70	L65-F68 HydrophobicContact CD2-CD2 4.45Å; L65-F68 PolarHBondContact O-N 3.18Å; L65-F68 VanDerWaalsContact O-N 3.14Å; F68-D70 VanDerWaalsContact C-N 3.34Å; F68-D70 PolarHBondContact O-N 2.94Å
69	D	48.6	Very low	54.9	Low	93 Å²	93	101.6 Å²	101.6	50%	0.497	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.1	-175.5	-73.9	-30.7	0	0	0	114.5	V71 A72 C73	D69-V71 PolarHBondContact O-N 3.38Å; D69-V71 VanDerWaalsContact O-N 3.07Å; D69-A72 PolarHBondContact O-N 3.34Å; D69-C73 WeakPolarHBondContact O-CB 3.3Å; D69-C73 PolarHBondContact O-N 3.34Å; D69-C73 PolarHBondContact O-SG 2.94Å
70	D	52.4	Low	52.9	Low	111 Å²	111	99.4 Å²	99.4	59%	0.594	54%	0.535	S	S	*	.	H	α-helix	trans	-56.6	-28.1	-179.8	-92.8	0.3	0	0	0	113	F68 K74	F68-D70 VanDerWaalsContact C-N 3.34Å; F68-D70 PolarHBondContact O-N 2.94Å; D70-K74 WeakPolarHBondContact O-CB 3.33Å; D70-K74 PolarHBondContact O-N 2.97Å
71	V	48.9	Very low	51.3	Low	112 Å²	112	105.5 Å²	105.5	68%	0.679	57%	0.567	S	S	*	*	H	α-helix	trans	-79.9	-49.1	179.8	-175.8	0	0	0	0	111.7	D69 K74 V75	D69-V71 PolarHBondContact O-N 3.38Å; D69-V71 VanDerWaalsContact O-N 3.07Å; V71-K74 PolarHBondContact O-N 3.48Å; V71-V75 WeakPolarHBondContact O-CG2 3.46Å; V71-V75 PolarHBondContact O-N 2.8Å
72	A	49.6	Very low	50.6	Low	60 Å²	60	109.6 Å²	109.6	50%	0.496	59%	0.589	S	S	.	*	H	α-helix	trans	-65.6	-42.4	178.9	0	0	0	0	0	111.2	D69 K74 V75 E76	D69-A72 PolarHBondContact O-N 3.34Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.04Å; A72-V75 PolarHBondContact O-N 3.18Å; A72-E76 PolarHBondContact O-N 2.92Å; A72-E76 VanDerWaalsContact O-N 3.13Å
73	C	46.9	Very low	50.5	Low	26 Å²	26	112 Å²	112	18%	0.176	59%	0.59	C	S	.	*	H	α-helix	trans	-59.1	-37.3	176.6	-81.2	0	0	0	0	113.5	D69 S77 K88	D69-C73 WeakPolarHBondContact O-CB 3.3Å; D69-C73 PolarHBondContact O-N 3.34Å; D69-C73 PolarHBondContact O-SG 2.94Å; C73-S77 WeakPolarHBondContact O-CB 3.44Å; C73-S77 PolarHBondContact O-N 3.45Å; C73-S77 PolarHBondContact O-OG 3.41Å; C73-K88 PolarHBondContact SG-NZ 3.23Å
74	K	48.5	Very low	51.1	Low	144 Å²	144	111.8 Å²	111.8	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-73.2	-31.3	-179.5	-168.9	172.5	-172.9	176.2	0	111.8	D70 V71 A72 S77 M78	D70-K74 WeakPolarHBondContact O-CB 3.33Å; D70-K74 PolarHBondContact O-N 2.97Å; V71-K74 PolarHBondContact O-N 3.48Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.04Å; K74-S77 PolarHBondContact O-OG 2.85Å; K74-M78 WeakPolarHBondContact O-CG 3.44Å; K74-M78 PolarHBondContact O-N 3.05Å
75	V	49	Very low	52.4	Low	91 Å²	91	106.2 Å²	106.2	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-70.6	-46.3	175.1	176.1	0	0	0	0	110.5	V71 A72 M78 V79	V71-V75 WeakPolarHBondContact O-CG2 3.46Å; V71-V75 PolarHBondContact O-N 2.8Å; A72-V75 PolarHBondContact O-N 3.18Å; V75-M78 WeakPolarHBondContact O-CB 3.42Å; V75-M78 PolarHBondContact O-N 2.89Å; V75-V79 WeakPolarHBondContact O-CG2 3.05Å; V75-V79 PolarHBondContact O-N 3.01Å
76	E	46.7	Very low	53.6	Low	132 Å²	132	109.9 Å²	109.9	62%	0.617	56%	0.56	S	S	*	*	H	α-helix	trans	-66.5	-40.6	177.6	-80.3	-178	158.6	0	0	112.6	A72 M78 V79 T80	A72-E76 PolarHBondContact O-N 2.92Å; A72-E76 VanDerWaalsContact O-N 3.13Å; E76-M78 PolarHBondContact O-N 2.9Å; E76-V79 PolarHBondContact O-N 3.25Å; E76-T80 PolarHBondContact O-N 3.38Å; E76-T80 PolarHBondContact O-OG1 3.35Å
77	S	45.6	Very low	54.8	Low	59 Å²	59	103.5 Å²	103.5	41%	0.413	53%	0.533	S	S	.	.	H	α-helix	trans	-65.8	-21	176.1	78.3	0	0	0	0	113.1	C73 K74	C73-S77 WeakPolarHBondContact O-CB 3.44Å; C73-S77 PolarHBondContact O-N 3.45Å; C73-S77 PolarHBondContact O-OG 3.41Å; K74-S77 PolarHBondContact O-OG 2.85Å
78	M	47.2	Very low	56	Low	152 Å²	152	100 Å²	100	75%	0.749	52%	0.518	S	S	*	.	H	α-helix	trans	-79.5	-23.9	173	-76.5	176.8	70.7	0	0	112.8	K74 V75 E76	K74-M78 WeakPolarHBondContact O-CG 3.44Å; K74-M78 PolarHBondContact O-N 3.05Å; V75-M78 WeakPolarHBondContact O-CB 3.42Å; V75-M78 PolarHBondContact O-N 2.89Å; E76-M78 PolarHBondContact O-N 2.9Å
79	V	49.6	Very low	57.1	Low	123 Å²	123	95 Å²	95	75%	0.745	50%	0.5	S	S	*	.	H	α-helix	trans	-92.2	-29.6	-179.4	176.7	0	0	0	0	111.5	V75 E76	V75-V79 WeakPolarHBondContact O-CG2 3.05Å; V75-V79 PolarHBondContact O-N 3.01Å; E76-V79 PolarHBondContact O-N 3.25Å
80	T	45.4	Very low	58.1	Low	55 Å²	55	92 Å²	92	34%	0.337	49%	0.486	S	S	.	.	S	Bend	trans	-86.8	131.4	-178.6	-25.6	0	0	0	0	109.9	E76 N82 S84	E76-T80 PolarHBondContact O-N 3.38Å; E76-T80 PolarHBondContact O-OG1 3.35Å; T80-N82 PolarHBondContact O-N 3.04Å; T80-N82 VanDerWaalsContact O-N 3.13Å; T80-S84 VanDerWaalsContact CG2-OG 3.3Å; T80-S84 WeakPolarHBondContact CG2-OG 3.47Å
81	D	53.8	Low	59.1	Low	129 Å²	129	92.2 Å²	92.2	69%	0.69	50%	0.503	S	S	*	.			trans	-49.6	123.5	172	-101.7	-25.2	0	0	0	108.7	K83 S84	D81-K83 PolarHBondContact O-N 3.37Å; D81-S84 PolarHBondContact O-N 3.24Å; D81-S84 PolarHBondContact O-OG 2.87Å
82	N	61.6	Low	60.5	Low	124 Å²	124	91 Å²	91	66%	0.663	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-2.3	175.8	-96.8	21.3	0	0	0	114.1	T80 H149 A153	T80-N82 PolarHBondContact O-N 3.04Å; T80-N82 VanDerWaalsContact O-N 3.13Å; N82-H149 PolarHBondContact O-CE1 3.41Å; N82-A153 WeakPolarHBondContact O-CB 3.36Å
83	K	64	Low	62.3	Low	142 Å²	142	88.6 Å²	88.6	62%	0.617	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-29.6	176.7	-63.5	-177	178.2	179.4	0	113.3	D81 I154	D81-K83 PolarHBondContact O-N 3.37Å; K83-I154 HydrophobicContact CB-CD1 4.26Å; K83-I154 HydrophobicContact CD-CD1 4.35Å; K83-I154 HydrophobicContact CG-CD1 4.1Å; K83-I154 HydrophobicContact CG-CG1 4.32Å
84	S	70.3	Confident	64.3	Low	48 Å²	48	91.6 Å²	91.6	34%	0.336	49%	0.487	S	S	.	.	S	Bend	trans	-88.7	126.1	178.3	61.6	0	0	0	0	110.3	T80 D81 W86	T80-S84 VanDerWaalsContact CG2-OG 3.3Å; T80-S84 WeakPolarHBondContact CG2-OG 3.47Å; D81-S84 PolarHBondContact O-N 3.24Å; D81-S84 PolarHBondContact O-OG 2.87Å; S84-W86 PolarHBondContact OG-NE1 3.47Å; S84-W86 VanDerWaalsContact OG-NE1 3.12Å
85	Y	78.5	Confident	66.3	Low	29 Å²	29	85.7 Å²	85.7	11%	0.114	47%	0.465	C	S	.	.			trans	-91.3	139.5	174.5	-176.4	-100.9	0	0	0	110.7	M53 E57 L87 E141 L145 H149	M53-Y85 HydrophobicContact SD-CE2 4.27Å; E57-Y85 WeakPolarHBondContact CG-OH 3.29Å; E57-Y85 WeakPolarHBondContact OE1-CE2 3.41Å; E57-Y85 PolarHBondContact OE1-OH 2.93Å; Y85-L87 HydrophobicContact CE1-CB 4.03Å; Y85-E141 HydrophobicContact CD1-CG 4.1Å; Y85-E141 HydrophobicContact CE1-CG 4.09Å; Y85-L145 HydrophobicContact CD1-CB 4.02Å; Y85-L145 HydrophobicContact CE1-CB 3.32Å; Y85-L145 HydrophobicContact CE1-CD1 4.01Å; Y85-L145 HydrophobicContact CE1-CG 4.24Å; Y85-L145 HydrophobicContact CE2-CB 4.5Å; Y85-L145 WeakPolarHBondContact OH-CD1 3.01Å; Y85-H149 HydrophobicContact CD2-CB 3.7Å; Y85-H149 AromaticContact CD2-CD2 3.54Å; Y85-H149 AromaticContact CD2-CG 3.59Å; Y85-H149 HydrophobicContact CE2-CB 4.49Å; Y85-H149 HydrophobicContact CG-CB 4Å
86	W	72.4	Confident	68.4	Low	173 Å²	173	84.5 Å²	84.5	66%	0.655	45%	0.453	S	S	*	.			trans	-138.4	119.6	174.7	-58.7	91.8	0	0	0	108.9	S84 K88 E141	S84-W86 PolarHBondContact OG-NE1 3.47Å; S84-W86 VanDerWaalsContact OG-NE1 3.12Å; W86-K88 PolarHBondContact O-N 2.88Å; W86-E141 WeakPolarHBondContact CA-OE1 3.37Å
87	L	76.4	Confident	70.5	Confident	19 Å²	19	84 Å²	84	10%	0.099	45%	0.45	C	S	.	.			trans	-74.2	122.6	176.8	178.1	58.2	0	0	0	109.6	E57 I60 Y85 V89 N137 E141 L145	E57-L87 HydrophobicContact CG-CD1 4.26Å; I60-L87 HydrophobicContact CD1-CD2 3.89Å; I60-L87 HydrophobicContact CG2-CD2 4.02Å; Y85-L87 HydrophobicContact CE1-CB 4.03Å; L87-V89 HydrophobicContact CD2-CG2 3.97Å; L87-V89 HydrophobicContact CG-CG2 3.82Å; L87-V89 PolarHBondContact O-N 2.59Å; L87-N137 HydrophobicContact CD2-CB 4.27Å; L87-E141 HydrophobicContact CB-CB 3.91Å; L87-E141 HydrophobicContact CB-CG 3.74Å; L87-E141 HydrophobicContact CD2-CB 4.07Å; L87-E141 PolarHBondContact N-OE1 3.02Å; L87-L145 HydrophobicContact CD1-CD1 3.78Å; L87-L145 HydrophobicContact CD2-CD1 4.04Å; L87-L145 HydrophobicContact CG-CD1 4.35Å
88	K	74	Confident	72.9	Confident	114 Å²	114	85.4 Å²	85.4	50%	0.496	45%	0.453	S	S	.	.			trans	-79.3	101.8	175.2	-65.3	176	-178.7	175	0	109.8	N61 C73 W86	N61-K88 PolarHBondContact ND2-O 3.48Å; C73-K88 PolarHBondContact SG-NZ 3.23Å; W86-K88 PolarHBondContact O-N 2.88Å
89	V	69.8	Low	75.3	Confident	58 Å²	58	78.2 Å²	78.2	35%	0.352	42%	0.417	S	S	.	.			trans	-103.4	142.9	173.6	-174.2	0	0	0	0	108.5	L87 L93	L87-V89 HydrophobicContact CD2-CG2 3.97Å; L87-V89 HydrophobicContact CG-CG2 3.82Å; L87-V89 PolarHBondContact O-N 2.59Å; V89-L93 HydrophobicContact CG1-CD2 3.76Å
90	P	69.7	Low	77.5	Confident	32 Å²	32	74 Å²	74	21%	0.208	39%	0.391	C	S	.	.			trans	-56.2	148	172.8	-24.2	36.7	0	0	0	110.6	N61 C63 K92	N61-P90 WeakPolarHBondContact OD1-CD 3.49Å; N61-P90 WeakPolarHBondContact OD1-CG 3.43Å; C63-P90 VanDerWaalsContact SG-CG 3.51Å; P90-K92 WeakPolarHBondContact CB-O 3.39Å; P90-K92 PolarHBondContact O-N 2.82Å
91	A	73.3	Confident	80	Confident	115 Å²	115	74 Å²	74	95%	0.95	39%	0.391	S	S	*	.	S	Bend	trans	-56.1	-26.1	176.4	0	0	0	0	0	112.9
92	K	78.4	Confident	82.1	Confident	86 Å²	86	69.3 Å²	69.3	37%	0.374	37%	0.366	S	S	.	.	S	Bend	trans	-139.9	128	174.5	-177.5	156.4	-77.8	173.9	0	109.6	P90 E96 H97 D100	P90-K92 WeakPolarHBondContact CB-O 3.39Å; P90-K92 PolarHBondContact O-N 2.82Å; K92-E96 HydrophobicContact CD-CB 4.38Å; K92-E96 HydrophobicContact CD-CG 4.02Å; K92-E96 WeakPolarHBondContact CE-OE1 3.37Å; K92-E96 HydrophobicContact CG-CB 3.78Å; K92-E96 HydrophobicContact CG-CG 3.81Å; K92-H97 HydrophobicContact CD-CB 4.29Å; K92-H97 HydrophobicContact CG-CB 4.26Å; K92-D100 VanDerWaalsContact CE-OD2 3.29Å; K92-D100 WeakPolarHBondContact CE-OD2 3.43Å; K92-D100 IonicContact NZ-OD2 3.59Å; K92-D100 PolarHBondContact NZ-OD2 2.96Å
93	L	86.8	Confident	83.8	Confident	9 Å²	9	64.9 Å²	64.9	5%	0.047	34%	0.342	C	S	.	.			trans	-71.3	153.4	178	-69.2	172.5	0	0	0	110.8	V89 A95 E96 H97 A130 E133	V89-L93 HydrophobicContact CG1-CD2 3.76Å; L93-A95 VanDerWaalsContact C-N 3.27Å; L93-A95 PolarHBondContact O-N 3.23Å; L93-E96 HydrophobicContact CB-CB 4.34Å; L93-E96 PolarHBondContact N-OE2 2.87Å; L93-E96 WeakPolarHBondContact O-CA 3.37Å; L93-E96 WeakPolarHBondContact O-CB 3.5Å; L93-E96 PolarHBondContact O-N 3.39Å; L93-H97 PolarHBondContact O-N 3.06Å; L93-A130 HydrophobicContact CB-CB 4.46Å; L93-A130 HydrophobicContact CD1-CB 4.45Å; L93-A130 WeakPolarHBondContact CD1-O 3.37Å; L93-E133 HydrophobicContact CD1-CB 4.05Å; L93-E133 HydrophobicContact CD1-CG 4Å
94	P	88.4	Confident	85.4	Confident	90 Å²	90	62.2 Å²	62.2	58%	0.584	34%	0.341	S	S	*	.	H	α-helix	trans	-54.3	-41.5	178	-27.8	35.7	0	0	0	113.6	E96 H97 L98	P94-E96 VanDerWaalsContact C-N 3.32Å; P94-E96 PolarHBondContact O-N 3.45Å; P94-H97 PolarHBondContact O-N 3.37Å; P94-L98 PolarHBondContact O-N 2.99Å
95	A	92	Very high	86.7	Confident	19 Å²	19	63.4 Å²	63.4	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-34.9	176.5	0	0	0	0	0	112.3	L93 L98 G99 S126 I129 A130	L93-A95 VanDerWaalsContact C-N 3.27Å; L93-A95 PolarHBondContact O-N 3.23Å; A95-L98 PolarHBondContact O-N 3.47Å; A95-G99 PolarHBondContact O-N 3.25Å; A95-S126 WeakPolarHBondContact O-CB 3.31Å; A95-I129 HydrophobicContact CB-CG2 4.22Å; A95-A130 HydrophobicContact CB-CB 3.96Å
96	E	91.7	Very high	87.6	Confident	66 Å²	66	62.1 Å²	62.1	31%	0.308	34%	0.338	S	S	.	.	H	α-helix	trans	-70.2	-41.2	176.7	-170.9	-177.2	178.8	0	0	111.3	K92 L93 P94 L98 G99 D100 A130	K92-E96 HydrophobicContact CD-CB 4.38Å; K92-E96 HydrophobicContact CD-CG 4.02Å; K92-E96 WeakPolarHBondContact CE-OE1 3.37Å; K92-E96 HydrophobicContact CG-CB 3.78Å; K92-E96 HydrophobicContact CG-CG 3.81Å; L93-E96 HydrophobicContact CB-CB 4.34Å; L93-E96 PolarHBondContact N-OE2 2.87Å; L93-E96 WeakPolarHBondContact O-CA 3.37Å; L93-E96 WeakPolarHBondContact O-CB 3.5Å; L93-E96 PolarHBondContact O-N 3.39Å; P94-E96 VanDerWaalsContact C-N 3.32Å; P94-E96 PolarHBondContact O-N 3.45Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-L98 PolarHBondContact O-N 2.93Å; E96-G99 PolarHBondContact O-N 3.28Å; E96-D100 PolarHBondContact O-N 3.37Å; E96-A130 HydrophobicContact CB-CB 3.72Å
97	H	92.2	Very high	88.8	Confident	122 Å²	122	59.8 Å²	59.8	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-61.5	-42.4	174.2	-177.2	71	0	0	0	112.3	K92 L93 P94 T101	K92-H97 HydrophobicContact CD-CB 4.29Å; K92-H97 HydrophobicContact CG-CB 4.26Å; L93-H97 PolarHBondContact O-N 3.06Å; P94-H97 PolarHBondContact O-N 3.37Å; H97-T101 WeakPolarHBondContact O-CB 3.33Å; H97-T101 PolarHBondContact O-N 3.31Å; H97-T101 PolarHBondContact O-OG1 3.39Å
98	L	95.3	Very high	89.6	Confident	89 Å²	89	62.4 Å²	62.4	47%	0.466	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-48.1	173.3	177.5	61.7	0	0	0	110.9	P94 A95 E96 D100 T101 L102	P94-L98 PolarHBondContact O-N 2.99Å; A95-L98 PolarHBondContact O-N 3.47Å; E96-L98 VanDerWaalsContact C-N 3.35Å; E96-L98 PolarHBondContact O-N 2.93Å; L98-D100 PolarHBondContact O-N 3.21Å; L98-T101 PolarHBondContact O-N 3.49Å; L98-L102 HydrophobicContact CD1-CD1 3.94Å; L98-L102 HydrophobicContact CD1-CG 4.04Å; L98-L102 HydrophobicContact CG-CD1 3.9Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 3.16Å
99	G	97.4	Very high	90.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-57	-47.5	179.5	0	0	0	0	0	113.1	A95 E96 T101 L102 L103 G123	A95-G99 PolarHBondContact O-N 3.25Å; E96-G99 PolarHBondContact O-N 3.28Å; G99-T101 PolarHBondContact O-N 2.96Å; G99-L102 PolarHBondContact O-N 3.49Å; G99-L103 WeakPolarHBondContact O-CB 3.3Å; G99-L103 VanDerWaalsContact O-CG 3.3Å; G99-L103 WeakPolarHBondContact O-CG 3.36Å; G99-L103 PolarHBondContact O-N 3.02Å; G99-G123 WeakPolarHBondContact CA-O 3.33Å
100	D	96.6	Very high	91.6	Very high	36 Å²	36	58 Å²	58	19%	0.193	36%	0.362	C	S	.	.	H	α-helix	trans	-64	-40.5	177.9	-72.4	-13.4	0	0	0	113	K92 E96 L98 S104 R127	K92-D100 VanDerWaalsContact CE-OD2 3.29Å; K92-D100 WeakPolarHBondContact CE-OD2 3.43Å; K92-D100 IonicContact NZ-OD2 3.59Å; K92-D100 PolarHBondContact NZ-OD2 2.96Å; E96-D100 PolarHBondContact O-N 3.37Å; L98-D100 PolarHBondContact O-N 3.21Å; D100-S104 VanDerWaalsContact O-CB 3.27Å; D100-S104 WeakPolarHBondContact O-CB 3.41Å; D100-S104 PolarHBondContact O-N 2.87Å; D100-R127 IonicContact OD1-CZ 2.68Å; D100-R127 VanDerWaalsContact OD1-CZ 3.22Å; D100-R127 IonicContact OD1-NE 3.22Å; D100-R127 PolarHBondContact OD1-NE 3.29Å; D100-R127 IonicContact OD1-NH2 3.63Å; D100-R127 PolarHBondContact OD1-NH2 3.31Å
101	T	97.6	Very high	92.2	Very high	55 Å²	55	60.1 Å²	60.1	34%	0.337	38%	0.382	S	S	.	.	H	α-helix	trans	-63	-47.5	177.9	-59.1	0	0	0	0	110.4	H97 L98 G99 L103 S104 I105	H97-T101 WeakPolarHBondContact O-CB 3.33Å; H97-T101 PolarHBondContact O-N 3.31Å; H97-T101 PolarHBondContact O-OG1 3.39Å; L98-T101 PolarHBondContact O-N 3.49Å; G99-T101 PolarHBondContact O-N 2.96Å; T101-L103 PolarHBondContact O-N 3.42Å; T101-S104 PolarHBondContact O-N 3.21Å; T101-I105 HydrophobicContact CG2-CD1 3.82Å; T101-I105 VanDerWaalsContact O-CG1 3.24Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 2.85Å
102	L	98.2	Very high	92.9	Very high	30 Å²	30	58.6 Å²	58.6	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-44.5	179.4	-68.4	173.4	0	0	0	112.1	L98 G99 I105 A106 L119 C122	L98-L102 HydrophobicContact CD1-CD1 3.94Å; L98-L102 HydrophobicContact CD1-CG 4.04Å; L98-L102 HydrophobicContact CG-CD1 3.9Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 3.16Å; G99-L102 PolarHBondContact O-N 3.49Å; L102-I105 PolarHBondContact O-N 3.07Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.39Å; L102-L119 HydrophobicContact CD2-CD2 3.7Å; L102-C122 HydrophobicContact CD1-CB 3.82Å
103	L	97.8	Very high	93.6	Very high	31 Å²	31	57.4 Å²	57.4	16%	0.162	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-40.8	176.6	-70.9	166.1	0	0	0	111.9	G99 T101 I105 A106 V107 E124	G99-L103 WeakPolarHBondContact O-CB 3.3Å; G99-L103 VanDerWaalsContact O-CG 3.3Å; G99-L103 WeakPolarHBondContact O-CG 3.36Å; G99-L103 PolarHBondContact O-N 3.02Å; T101-L103 PolarHBondContact O-N 3.42Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-I105 PolarHBondContact O-N 3.38Å; L103-A106 WeakPolarHBondContact O-CB 3.47Å; L103-A106 PolarHBondContact O-N 3.49Å; L103-V107 WeakPolarHBondContact O-CG2 3.42Å; L103-V107 PolarHBondContact O-N 3.32Å; L103-E124 HydrophobicContact CD2-CG 4.18Å
104	S	97.4	Very high	93.9	Very high	85 Å²	85	59.3 Å²	59.3	59%	0.594	40%	0.395	S	S	*	.	H	α-helix	trans	-62.5	-41.2	176.1	-174.3	0	0	0	0	111.9	D100 T101	D100-S104 VanDerWaalsContact O-CB 3.27Å; D100-S104 WeakPolarHBondContact O-CB 3.41Å; D100-S104 PolarHBondContact O-N 2.87Å; T101-S104 PolarHBondContact O-N 3.21Å
105	I	97.7	Very high	94.2	Very high	73 Å²	73	62 Å²	62	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-68.9	-39	177.4	-63.5	164.8	0	0	0	110	T101 L102 L103 V107 G108 V109 L119	T101-I105 HydrophobicContact CG2-CD1 3.82Å; T101-I105 VanDerWaalsContact O-CG1 3.24Å; T101-I105 WeakPolarHBondContact O-CG1 3.39Å; T101-I105 PolarHBondContact O-N 2.85Å; L102-I105 PolarHBondContact O-N 3.07Å; L103-I105 VanDerWaalsContact C-N 3.34Å; L103-I105 PolarHBondContact O-N 3.38Å; I105-V107 VanDerWaalsContact C-N 3.25Å; I105-V107 PolarHBondContact O-N 2.99Å; I105-G108 PolarHBondContact O-N 3.41Å; I105-V109 HydrophobicContact CG2-CG2 3.9Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.14Å; I105-L119 HydrophobicContact CB-CD1 4.34Å; I105-L119 HydrophobicContact CG2-CD1 3.69Å
106	A	97	Very high	94.4	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	39%	0.388	C	S	.	.	H	α-helix	trans	-58	-37.2	178.3	0	0	0	0	0	112.8	L102 L103 G108 V109 G110 L119 S120	L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.39Å; L103-A106 WeakPolarHBondContact O-CB 3.47Å; L103-A106 PolarHBondContact O-N 3.49Å; A106-G108 VanDerWaalsContact C-N 3.34Å; A106-G108 PolarHBondContact O-N 3.48Å; A106-V109 PolarHBondContact O-N 3.4Å; A106-G110 PolarHBondContact O-N 3.49Å; A106-L119 HydrophobicContact CB-CB 3.75Å; A106-S120 VanDerWaalsContact CB-OG 3.28Å; A106-S120 WeakPolarHBondContact CB-OG 3.19Å
107	V	96.4	Very high	94.6	Very high	124 Å²	124	59.2 Å²	59.2	75%	0.752	38%	0.383	S	S	*	.	H	α-helix	trans	-60	-44.4	174.1	174.1	0	0	0	0	111.2	L103 I105	L103-V107 WeakPolarHBondContact O-CG2 3.42Å; L103-V107 PolarHBondContact O-N 3.32Å; I105-V107 VanDerWaalsContact C-N 3.25Å; I105-V107 PolarHBondContact O-N 2.99Å
108	G	94.9	Very high	94.8	Very high	74 Å²	74	54.1 Å²	54.1	76%	0.763	36%	0.362	S	S	*	.	H	α-helix	trans	-73.1	-36.9	-179.5	0	0	0	0	0	113.8	I105 A106 G110	I105-G108 PolarHBondContact O-N 3.41Å; A106-G108 VanDerWaalsContact C-N 3.34Å; A106-G108 PolarHBondContact O-N 3.48Å; G108-G110 VanDerWaalsContact C-N 3.3Å
109	V	95.4	Very high	94.9	Very high	52 Å²	52	50.4 Å²	50.4	32%	0.315	34%	0.343	S	S	.	.	H	α-helix	trans	-72	-28.2	176.3	172.5	0	0	0	0	111.4	I105 A106 T113 Y115 L119	I105-V109 HydrophobicContact CG2-CG2 3.9Å; I105-V109 WeakPolarHBondContact O-CG2 3.41Å; I105-V109 PolarHBondContact O-N 3.14Å; A106-V109 PolarHBondContact O-N 3.4Å; V109-T113 WeakPolarHBondContact CG1-OG1 3.48Å; V109-Y115 HydrophobicContact CG1-CD1 3.75Å; V109-Y115 HydrophobicContact CG1-CG 4.43Å; V109-Y115 HydrophobicContact CG2-CD1 4.24Å; V109-Y115 HydrophobicContact CG2-CE1 4.21Å; V109-L119 HydrophobicContact CB-CD1 4.32Å; V109-L119 HydrophobicContact CG2-CD1 3.98Å
110	G	89.9	Confident	94.9	Very high	27 Å²	27	51.8 Å²	51.8	28%	0.278	35%	0.352	S	S	.	.			trans	89.4	124.2	-179.8	0	0	0	0	0	112.2	A106 G108 G112 T113	A106-G110 PolarHBondContact O-N 3.49Å; G108-G110 VanDerWaalsContact C-N 3.3Å; G110-G112 PolarHBondContact O-N 3.33Å; G110-G112 VanDerWaalsContact O-N 3.08Å; G110-T113 PolarHBondContact O-N 3.08Å; G110-T113 PolarHBondContact O-OG1 3.37Å
111	A	82.6	Confident	94.8	Very high	76 Å²	76	52 Å²	52	63%	0.628	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-15.4	-177.8	0	0	0	0	0	114.5	T113	A111-T113 VanDerWaalsContact C-N 3.29Å
112	G	87.2	Confident	94.8	Very high	84 Å²	84	51.1 Å²	51.1	87%	0.866	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-12.6	175.1	0	0	0	0	0	114.3	G110	G110-G112 PolarHBondContact O-N 3.33Å; G110-G112 VanDerWaalsContact O-N 3.08Å
113	T	92.9	Very high	94.8	Very high	61 Å²	61	49.7 Å²	49.7	37%	0.374	34%	0.34	S	S	.	.	S	Bend	trans	-89.3	147.5	175.3	69.4	0	0	0	0	110.2	V109 G110 A111 Y115 G116 A117	V109-T113 WeakPolarHBondContact CG1-OG1 3.48Å; G110-T113 PolarHBondContact O-N 3.08Å; G110-T113 PolarHBondContact O-OG1 3.37Å; A111-T113 VanDerWaalsContact C-N 3.29Å; T113-Y115 PolarHBondContact O-N 3.18Å; T113-G116 PolarHBondContact O-N 3.36Å; T113-G116 VanDerWaalsContact O-N 3.16Å; T113-G116 PolarHBondContact OG1-N 2.98Å; T113-A117 PolarHBondContact O-N 3.03Å
114	A	92.8	Very high	94.8	Very high	49 Å²	49	53.7 Å²	53.7	41%	0.405	36%	0.358	S	S	.	.	H	α-helix	trans	-57.3	-38	175.5	0	0	0	0	0	112	A117 A118 K255	A114-A117 PolarHBondContact O-N 3.47Å; A114-A118 WeakPolarHBondContact O-CB 3.5Å; A114-A118 PolarHBondContact O-N 2.95Å; A114-K255 WeakPolarHBondContact CB-O 3.41Å
115	Y	95.6	Very high	94.8	Very high	147 Å²	147	52.2 Å²	52.2	58%	0.576	34%	0.34	S	S	*	.	H	α-helix	trans	-67.9	-42.3	176.4	-176.4	-134.5	0	0	0	112.6	V109 T113 A117 A118 L119	V109-Y115 HydrophobicContact CG1-CD1 3.75Å; V109-Y115 HydrophobicContact CG1-CG 4.43Å; V109-Y115 HydrophobicContact CG2-CD1 4.24Å; V109-Y115 HydrophobicContact CG2-CE1 4.21Å; T113-Y115 PolarHBondContact O-N 3.18Å; Y115-A117 VanDerWaalsContact C-N 3.33Å; Y115-A117 PolarHBondContact O-N 2.87Å; Y115-A118 WeakPolarHBondContact O-CB 3.42Å; Y115-A118 PolarHBondContact O-N 2.88Å; Y115-L119 HydrophobicContact CD1-CD1 4.03Å; Y115-L119 HydrophobicContact CD2-CD1 4.31Å; Y115-L119 HydrophobicContact CD2-CG 4.12Å; Y115-L119 HydrophobicContact CE1-CD1 3.71Å; Y115-L119 HydrophobicContact CE1-CG 4.41Å; Y115-L119 HydrophobicContact CE2-CD1 4.01Å; Y115-L119 HydrophobicContact CE2-CD2 3.92Å; Y115-L119 HydrophobicContact CE2-CG 3.78Å; Y115-L119 HydrophobicContact CG-CD1 4.31Å; Y115-L119 WeakPolarHBondContact O-CB 3.45Å; Y115-L119 VanDerWaalsContact O-CG 3.28Å; Y115-L119 WeakPolarHBondContact O-CG 3.24Å; Y115-L119 PolarHBondContact O-N 3.41Å
116	G	96.6	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-38.8	174.4	0	0	0	0	0	112.7	T113 S120	T113-G116 PolarHBondContact O-N 3.36Å; T113-G116 VanDerWaalsContact O-N 3.16Å; T113-G116 PolarHBondContact OG1-N 2.98Å; G116-S120 PolarHBondContact O-N 2.89Å; G116-S120 PolarHBondContact O-OG 2.9Å
117	A	94.9	Very high	94.8	Very high	25 Å²	25	54.7 Å²	54.7	21%	0.207	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-45.7	173.2	0	0	0	0	0	111.9	T113 A114 Y115 S120 Q121 L254	T113-A117 PolarHBondContact O-N 3.03Å; A114-A117 PolarHBondContact O-N 3.47Å; Y115-A117 VanDerWaalsContact C-N 3.33Å; Y115-A117 PolarHBondContact O-N 2.87Å; A117-S120 WeakPolarHBondContact O-CB 3.42Å; A117-S120 PolarHBondContact O-N 3.19Å; A117-Q121 WeakPolarHBondContact O-CG 3.36Å; A117-Q121 PolarHBondContact O-N 2.86Å; A117-L254 HydrophobicContact CB-CD2 4.06Å
118	A	96.3	Very high	94.8	Very high	15 Å²	15	52.5 Å²	52.5	12%	0.124	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-46.8	175.3	0	0	0	0	0	112.4	A114 Y115 S120 Q121 C122 M251 L254	A114-A118 WeakPolarHBondContact O-CB 3.5Å; A114-A118 PolarHBondContact O-N 2.95Å; Y115-A118 WeakPolarHBondContact O-CB 3.42Å; Y115-A118 PolarHBondContact O-N 2.88Å; A118-S120 VanDerWaalsContact C-N 3.29Å; A118-S120 PolarHBondContact O-N 3.03Å; A118-Q121 PolarHBondContact O-N 3.08Å; A118-C122 WeakPolarHBondContact O-CB 3.4Å; A118-C122 PolarHBondContact O-N 3.32Å; A118-C122 PolarHBondContact O-SG 2.91Å; A118-C122 VanDerWaalsContact O-SG 3.34Å; A118-M251 HydrophobicContact CB-CE 3.76Å; A118-M251 HydrophobicContact CB-SD 4.07Å; A118-L254 HydrophobicContact CB-CD1 3.69Å
119	L	97.6	Very high	94.9	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176.4	-72.8	169.5	0	0	0	111.7	L102 I105 A106 V109 Y115 G123	L102-L119 HydrophobicContact CD2-CD2 3.7Å; I105-L119 HydrophobicContact CB-CD1 4.34Å; I105-L119 HydrophobicContact CG2-CD1 3.69Å; A106-L119 HydrophobicContact CB-CB 3.75Å; V109-L119 HydrophobicContact CB-CD1 4.32Å; V109-L119 HydrophobicContact CG2-CD1 3.98Å; Y115-L119 HydrophobicContact CD1-CD1 4.03Å; Y115-L119 HydrophobicContact CD2-CD1 4.31Å; Y115-L119 HydrophobicContact CD2-CG 4.12Å; Y115-L119 HydrophobicContact CE1-CD1 3.71Å; Y115-L119 HydrophobicContact CE1-CG 4.41Å; Y115-L119 HydrophobicContact CE2-CD1 4.01Å; Y115-L119 HydrophobicContact CE2-CD2 3.92Å; Y115-L119 HydrophobicContact CE2-CG 3.78Å; Y115-L119 HydrophobicContact CG-CD1 4.31Å; Y115-L119 WeakPolarHBondContact O-CB 3.45Å; Y115-L119 VanDerWaalsContact O-CG 3.28Å; Y115-L119 WeakPolarHBondContact O-CG 3.24Å; Y115-L119 PolarHBondContact O-N 3.41Å; L119-G123 PolarHBondContact O-N 3.25Å
120	S	96.5	Very high	94.8	Very high	28 Å²	28	47.5 Å²	47.5	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-49.9	177.9	-56.1	0	0	0	0	111.4	A106 G116 A117 A118 C122 G123 E124	A106-S120 VanDerWaalsContact CB-OG 3.28Å; A106-S120 WeakPolarHBondContact CB-OG 3.19Å; G116-S120 PolarHBondContact O-N 2.89Å; G116-S120 PolarHBondContact O-OG 2.9Å; A117-S120 WeakPolarHBondContact O-CB 3.42Å; A117-S120 PolarHBondContact O-N 3.19Å; A118-S120 VanDerWaalsContact C-N 3.29Å; A118-S120 PolarHBondContact O-N 3.03Å; S120-C122 PolarHBondContact O-N 3.45Å; S120-G123 PolarHBondContact O-N 2.98Å; S120-G123 VanDerWaalsContact O-N 3.16Å; S120-E124 WeakPolarHBondContact O-CG 3.38Å; S120-E124 PolarHBondContact O-N 3.47Å
121	Q	96.4	Very high	95.1	Very high	42 Å²	42	49 Å²	49	20%	0.196	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-46.3	179	-70.9	176.6	4	0	0	112.2	A117 A118 G123 E124 Y125 L247	A117-Q121 WeakPolarHBondContact O-CG 3.36Å; A117-Q121 PolarHBondContact O-N 2.86Å; A118-Q121 PolarHBondContact O-N 3.08Å; Q121-G123 VanDerWaalsContact C-N 3.27Å; Q121-G123 PolarHBondContact O-N 3.08Å; Q121-E124 PolarHBondContact O-N 2.85Å; Q121-Y125 WeakPolarHBondContact O-CB 3.46Å; Q121-Y125 PolarHBondContact O-N 2.91Å; Q121-L247 HydrophobicContact CB-CD1 3.85Å
122	C	97.5	Very high	95.8	Very high	36 Å²	36	45.5 Å²	45.5	24%	0.243	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-35	175.9	-70.8	0	0	0	0	112.4	L102 A118 S120 S126	L102-C122 HydrophobicContact CD1-CB 3.82Å; A118-C122 WeakPolarHBondContact O-CB 3.4Å; A118-C122 PolarHBondContact O-N 3.32Å; A118-C122 PolarHBondContact O-SG 2.91Å; A118-C122 VanDerWaalsContact O-SG 3.34Å; S120-C122 PolarHBondContact O-N 3.45Å; C122-S126 WeakPolarHBondContact O-CB 3.34Å; C122-S126 PolarHBondContact O-N 2.96Å; C122-S126 PolarHBondContact O-OG 3.31Å
123	G	97.8	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.8	-45.4	177.7	0	0	0	0	0	113.2	G99 L119 S120 Q121 S126 R127	G99-G123 WeakPolarHBondContact CA-O 3.33Å; L119-G123 PolarHBondContact O-N 3.25Å; S120-G123 PolarHBondContact O-N 2.98Å; S120-G123 VanDerWaalsContact O-N 3.16Å; Q121-G123 VanDerWaalsContact C-N 3.27Å; Q121-G123 PolarHBondContact O-N 3.08Å; G123-S126 PolarHBondContact O-N 2.95Å; G123-R127 PolarHBondContact O-N 3.27Å
124	E	97.1	Very high	96.2	Very high	114 Å²	114	43.1 Å²	43.1	53%	0.533	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-49.4	173.6	-72	176.3	-178.5	0	0	111.2	L103 S120 Q121 S126 R127 E128	L103-E124 HydrophobicContact CD2-CG 4.18Å; S120-E124 WeakPolarHBondContact O-CG 3.38Å; S120-E124 PolarHBondContact O-N 3.47Å; Q121-E124 PolarHBondContact O-N 2.85Å; E124-S126 VanDerWaalsContact C-N 3.3Å; E124-S126 PolarHBondContact O-N 2.84Å; E124-R127 WeakPolarHBondContact O-CB 3.39Å; E124-R127 PolarHBondContact O-N 3.41Å; E124-R127 VanDerWaalsContact O-N 3.09Å; E124-E128 PolarHBondContact O-N 3.17Å
125	Y	97.9	Very high	96.3	Very high	54 Å²	54	46 Å²	46	21%	0.212	23%	0.228	C	C	.	.	H	α-helix	trans	-52.8	-46.6	174.3	162.1	-97.2	0	0	0	112.2	Q121 R127 E128 I129 R243 T244 L247	Q121-Y125 WeakPolarHBondContact O-CB 3.46Å; Q121-Y125 PolarHBondContact O-N 2.91Å; Y125-R127 VanDerWaalsContact C-N 3.27Å; Y125-R127 PolarHBondContact O-N 2.59Å; Y125-E128 WeakPolarHBondContact O-CB 3.49Å; Y125-E128 PolarHBondContact O-N 2.83Å; Y125-E128 VanDerWaalsContact O-N 3.08Å; Y125-I129 HydrophobicContact CD1-CG1 4.42Å; Y125-I129 HydrophobicContact CD2-CG1 4.18Å; Y125-I129 HydrophobicContact CE1-CG1 3.92Å; Y125-I129 HydrophobicContact CE2-CD1 3.72Å; Y125-I129 HydrophobicContact CE2-CG1 3.64Å; Y125-I129 VanDerWaalsContact CZ-CG1 3.49Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 2.85Å; Y125-R243 HydrophobicContact CD2-CB 3.96Å; Y125-R243 HydrophobicContact CE2-CB 3.82Å; Y125-T244 PolarHBondContact OH-OG1 2.83Å; Y125-T244 VanDerWaalsContact OH-OG1 3.04Å; Y125-L247 HydrophobicContact CD1-CD2 3.58Å; Y125-L247 HydrophobicContact CD2-CB 4.08Å; Y125-L247 HydrophobicContact CD2-CD2 3.98Å; Y125-L247 HydrophobicContact CE1-CD2 4.17Å; Y125-L247 HydrophobicContact CG-CB 4.33Å; Y125-L247 HydrophobicContact CG-CD2 3.48Å; Y125-L247 VanDerWaalsContact CG-CD2 3.48Å; Y125-L247 HydrophobicContact CG-CG 4.39Å
126	S	97.5	Very high	96.3	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-34.6	-178.9	-59.6	0	0	0	0	112.1	A95 C122 G123 E124 A130	A95-S126 WeakPolarHBondContact O-CB 3.31Å; C122-S126 WeakPolarHBondContact O-CB 3.34Å; C122-S126 PolarHBondContact O-N 2.96Å; C122-S126 PolarHBondContact O-OG 3.31Å; G123-S126 PolarHBondContact O-N 2.95Å; E124-S126 VanDerWaalsContact C-N 3.3Å; E124-S126 PolarHBondContact O-N 2.84Å; S126-A130 PolarHBondContact O-N 3.32Å
127	R	96.1	Very high	96.2	Very high	121 Å²	121	39.5 Å²	39.5	46%	0.457	20%	0.203	S	C	.	.	H	α-helix	trans	-68.4	-38.2	172.6	-73.6	-177.8	170.5	172.9	0	112.5	D100 G123 E124 Y125 A130 S131	D100-R127 IonicContact OD1-CZ 2.68Å; D100-R127 VanDerWaalsContact OD1-CZ 3.22Å; D100-R127 IonicContact OD1-NE 3.22Å; D100-R127 PolarHBondContact OD1-NE 3.29Å; D100-R127 IonicContact OD1-NH2 3.63Å; D100-R127 PolarHBondContact OD1-NH2 3.31Å; G123-R127 PolarHBondContact O-N 3.27Å; E124-R127 WeakPolarHBondContact O-CB 3.39Å; E124-R127 PolarHBondContact O-N 3.41Å; E124-R127 VanDerWaalsContact O-N 3.09Å; Y125-R127 VanDerWaalsContact C-N 3.27Å; Y125-R127 PolarHBondContact O-N 2.59Å; R127-A130 PolarHBondContact O-N 3.47Å; R127-S131 PolarHBondContact O-N 3.31Å
128	E	96.9	Very high	96.1	Very high	78 Å²	78	40.3 Å²	40.3	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-63.6	-43.2	175.2	-66	-171.6	154.4	0	0	111.7	E124 Y125 A130 S131 A132 R243	E124-E128 PolarHBondContact O-N 3.17Å; Y125-E128 WeakPolarHBondContact O-CB 3.49Å; Y125-E128 PolarHBondContact O-N 2.83Å; Y125-E128 VanDerWaalsContact O-N 3.08Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 3.15Å; E128-S131 WeakPolarHBondContact O-CB 3.44Å; E128-S131 PolarHBondContact O-N 2.83Å; E128-A132 PolarHBondContact O-N 3.27Å; E128-R243 IonicContact OE1-CZ 3.9Å; E128-R243 IonicContact OE1-NH1 2.92Å; E128-R243 PolarHBondContact OE1-NH1 3.43Å; E128-R243 WeakPolarHBondContact OE2-CD 3.45Å; E128-R243 IonicContact OE2-CZ 3.41Å; E128-R243 IonicContact OE2-NE 3.58Å; E128-R243 IonicContact OE2-NH1 2.75Å; E128-R243 PolarHBondContact OE2-NH1 3.36Å
129	I	97	Very high	96	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-60.1	-44.8	174	-64	-63.4	0	0	0	111	A95 Y125 S131 A132 E133 C240 R243	A95-I129 HydrophobicContact CB-CG2 4.22Å; Y125-I129 HydrophobicContact CD1-CG1 4.42Å; Y125-I129 HydrophobicContact CD2-CG1 4.18Å; Y125-I129 HydrophobicContact CE1-CG1 3.92Å; Y125-I129 HydrophobicContact CE2-CD1 3.72Å; Y125-I129 HydrophobicContact CE2-CG1 3.64Å; Y125-I129 VanDerWaalsContact CZ-CG1 3.49Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 2.85Å; I129-S131 VanDerWaalsContact C-N 3.29Å; I129-S131 PolarHBondContact O-N 2.95Å; I129-A132 PolarHBondContact O-N 3.41Å; I129-E133 WeakPolarHBondContact O-CB 3.13Å; I129-E133 PolarHBondContact O-N 2.97Å; I129-C240 HydrophobicContact CD1-CB 3.9Å; I129-R243 HydrophobicContact CD1-CB 4.3Å
130	A	94.6	Very high	96	Very high	5 Å²	5	42.1 Å²	42.1	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-37.7	176	0	0	0	0	0	112.4	L93 A95 E96 S126 R127 E128 E133 S134	L93-A130 HydrophobicContact CB-CB 4.46Å; L93-A130 HydrophobicContact CD1-CB 4.45Å; L93-A130 WeakPolarHBondContact CD1-O 3.37Å; A95-A130 HydrophobicContact CB-CB 3.96Å; E96-A130 HydrophobicContact CB-CB 3.72Å; S126-A130 PolarHBondContact O-N 3.32Å; R127-A130 PolarHBondContact O-N 3.47Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 3.15Å; A130-E133 PolarHBondContact O-N 3.4Å; A130-S134 WeakPolarHBondContact O-CB 3.45Å; A130-S134 PolarHBondContact O-N 3.34Å
131	S	95.4	Very high	95.8	Very high	58 Å²	58	42.7 Å²	42.7	41%	0.406	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-43.9	175.1	-169.1	0	0	0	0	111.8	R127 E128 I129 S134 R135	R127-S131 PolarHBondContact O-N 3.31Å; E128-S131 WeakPolarHBondContact O-CB 3.44Å; E128-S131 PolarHBondContact O-N 2.83Å; I129-S131 VanDerWaalsContact C-N 3.29Å; I129-S131 PolarHBondContact O-N 2.95Å; S131-S134 PolarHBondContact O-N 3.26Å; S131-R135 PolarHBondContact O-N 3.37Å; S131-R135 PolarHBondContact O-NH1 3.35Å; S131-R135 PolarHBondContact OG-NH1 3.07Å
132	A	96.3	Very high	95.6	Very high	3 Å²	3	48 Å²	48	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-41	174.9	0	0	0	0	0	111.9	E128 I129 R135 R136 Y236 E239	E128-A132 PolarHBondContact O-N 3.27Å; I129-A132 PolarHBondContact O-N 3.41Å; A132-R135 PolarHBondContact O-N 2.81Å; A132-R136 PolarHBondContact O-N 2.96Å; A132-Y236 HydrophobicContact CB-CD2 3.97Å; A132-Y236 HydrophobicContact CB-CE2 4.17Å; A132-E239 HydrophobicContact CB-CG 4.26Å; A132-E239 WeakPolarHBondContact CB-OE2 3.41Å
133	E	94.8	Very high	95.5	Very high	27 Å²	27	50.7 Å²	50.7	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-43.9	176	-175.9	174.5	-166.4	0	0	111.8	L93 I129 A130 R135 R136 N137 Y236	L93-E133 HydrophobicContact CD1-CB 4.05Å; L93-E133 HydrophobicContact CD1-CG 4Å; I129-E133 WeakPolarHBondContact O-CB 3.13Å; I129-E133 PolarHBondContact O-N 2.97Å; A130-E133 PolarHBondContact O-N 3.4Å; E133-R135 VanDerWaalsContact C-N 3.35Å; E133-R135 PolarHBondContact O-N 3.41Å; E133-R136 WeakPolarHBondContact O-CB 3.17Å; E133-R136 PolarHBondContact O-N 2.95Å; E133-R136 IonicContact OE1-NH2 3.52Å; E133-N137 PolarHBondContact O-N 3.34Å; E133-N137 PolarHBondContact O-ND2 3.35Å; E133-N137 PolarHBondContact O-OD1 3.45Å; E133-Y236 HydrophobicContact CB-CE2 3.79Å
134	S	93.5	Very high	95.5	Very high	67 Å²	67	50.7 Å²	50.7	47%	0.469	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-42.3	176	-176.8	0	0	0	0	111.9	A130 S131 N137 A138	A130-S134 WeakPolarHBondContact O-CB 3.45Å; A130-S134 PolarHBondContact O-N 3.34Å; S131-S134 PolarHBondContact O-N 3.26Å; S134-N137 PolarHBondContact O-N 3.25Å; S134-A138 WeakPolarHBondContact O-CB 3.49Å; S134-A138 PolarHBondContact O-N 3.42Å
135	R	95.5	Very high	95.4	Very high	110 Å²	110	45.3 Å²	45.3	42%	0.415	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-44.7	173.2	-74.9	-170.3	-64.7	-83.4	3.2	112.3	S131 A132 E133 N137 A138 I139 E239	S131-R135 PolarHBondContact O-N 3.37Å; S131-R135 PolarHBondContact O-NH1 3.35Å; S131-R135 PolarHBondContact OG-NH1 3.07Å; A132-R135 PolarHBondContact O-N 2.81Å; E133-R135 VanDerWaalsContact C-N 3.35Å; E133-R135 PolarHBondContact O-N 3.41Å; R135-N137 VanDerWaalsContact C-N 3.34Å; R135-N137 PolarHBondContact O-N 2.94Å; R135-A138 PolarHBondContact O-N 3.49Å; R135-I139 WeakPolarHBondContact O-CG1 3.4Å; R135-I139 PolarHBondContact O-N 2.75Å; R135-I139 VanDerWaalsContact O-N 3.07Å; R135-E239 IonicContact CZ-OE1 3.79Å; R135-E239 IonicContact CZ-OE2 2.92Å; R135-E239 IonicContact NE-OE2 3.98Å; R135-E239 IonicContact NH2-OE1 2.74Å; R135-E239 PolarHBondContact NH2-OE1 3.26Å; R135-E239 IonicContact NH2-OE2 2.79Å; R135-E239 PolarHBondContact NH2-OE2 3.04Å
136	R	96	Very high	95.3	Very high	8 Å²	8	45.4 Å²	45.4	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-56.3	-50.2	174.1	178.8	-169	63.2	80.8	-4.4	110.1	W59 A132 E133 A138 I139 L140 A232 Y236	W59-R136 VanDerWaalsContact CZ3-NH1 3.25Å; A132-R136 PolarHBondContact O-N 2.96Å; E133-R136 WeakPolarHBondContact O-CB 3.17Å; E133-R136 PolarHBondContact O-N 2.95Å; E133-R136 IonicContact OE1-NH2 3.52Å; R136-A138 VanDerWaalsContact C-N 3.35Å; R136-A138 PolarHBondContact O-N 3.09Å; R136-I139 PolarHBondContact O-N 3.35Å; R136-I139 VanDerWaalsContact O-N 3.16Å; R136-L140 HydrophobicContact CG-CD1 4.11Å; R136-L140 HydrophobicContact CG-CG 4.39Å; R136-L140 WeakPolarHBondContact O-CG 3.5Å; R136-L140 PolarHBondContact O-N 2.93Å; R136-A232 HydrophobicContact CG-CB 4.38Å; R136-Y236 HydrophobicContact CB-CD2 4.38Å; R136-Y236 HydrophobicContact CB-CG 4.38Å
137	N	94.2	Very high	95.2	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-44.8	-179.5	-67.1	-13.4	0	0	0	111.9	I60 L87 E133 S134 R135 I139 L140 E141	I60-N137 HydrophobicContact CG2-CB 4.15Å; I60-N137 WeakPolarHBondContact CG2-ND2 3.43Å; I60-N137 WeakPolarHBondContact CG2-OD1 3.32Å; L87-N137 HydrophobicContact CD2-CB 4.27Å; E133-N137 PolarHBondContact O-N 3.34Å; E133-N137 PolarHBondContact O-ND2 3.35Å; E133-N137 PolarHBondContact O-OD1 3.45Å; S134-N137 PolarHBondContact O-N 3.25Å; R135-N137 VanDerWaalsContact C-N 3.34Å; R135-N137 PolarHBondContact O-N 2.94Å; N137-I139 VanDerWaalsContact C-N 3.31Å; N137-I139 PolarHBondContact O-N 3.13Å; N137-L140 PolarHBondContact O-N 3.2Å; N137-E141 WeakPolarHBondContact O-CB 3.42Å; N137-E141 PolarHBondContact O-N 3.11Å
138	A	93.1	Very high	95.3	Very high	41 Å²	41	41.7 Å²	41.7	34%	0.339	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-34.6	177.5	0	0	0	0	0	113.1	S134 R135 R136 K142	S134-A138 WeakPolarHBondContact O-CB 3.49Å; S134-A138 PolarHBondContact O-N 3.42Å; R135-A138 PolarHBondContact O-N 3.49Å; R136-A138 VanDerWaalsContact C-N 3.35Å; R136-A138 PolarHBondContact O-N 3.09Å; A138-K142 WeakPolarHBondContact O-CG 3.28Å; A138-K142 PolarHBondContact O-N 3.18Å
139	I	95.3	Very high	95.2	Very high	65 Å²	65	39.4 Å²	39.4	33%	0.333	21%	0.208	S	C	.	.	H	α-helix	trans	-68.9	-46.8	173.6	-66.8	167.4	0	0	0	110.2	R135 R136 N137 E141 K142 K143 A232	R135-I139 WeakPolarHBondContact O-CG1 3.4Å; R135-I139 PolarHBondContact O-N 2.75Å; R135-I139 VanDerWaalsContact O-N 3.07Å; R136-I139 PolarHBondContact O-N 3.35Å; R136-I139 VanDerWaalsContact O-N 3.16Å; N137-I139 VanDerWaalsContact C-N 3.31Å; N137-I139 PolarHBondContact O-N 3.13Å; I139-E141 PolarHBondContact O-N 2.92Å; I139-K142 PolarHBondContact O-N 3.12Å; I139-K143 HydrophobicContact CG2-CD 4.02Å; I139-K143 HydrophobicContact CG2-CG 4.27Å; I139-K143 VanDerWaalsContact O-CB 3.3Å; I139-K143 WeakPolarHBondContact O-CB 3.35Å; I139-K143 PolarHBondContact O-N 3.23Å; I139-A232 HydrophobicContact CB-CB 4.31Å; I139-A232 HydrophobicContact CG2-CB 3.85Å
140	L	95.8	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-41	-179.1	-66	-176.6	0	0	0	112.7	W59 I60 R136 N137 K142 T144 L145 L229 A232	W59-L140 HydrophobicContact CH2-CD1 4.19Å; W59-L140 HydrophobicContact CZ3-CD1 3.58Å; I60-L140 HydrophobicContact CD1-CB 4Å; I60-L140 HydrophobicContact CD1-CD1 3.67Å; I60-L140 HydrophobicContact CD1-CG 4.49Å; I60-L140 HydrophobicContact CG1-CD1 4.1Å; R136-L140 HydrophobicContact CG-CD1 4.11Å; R136-L140 HydrophobicContact CG-CG 4.39Å; R136-L140 WeakPolarHBondContact O-CG 3.5Å; R136-L140 PolarHBondContact O-N 2.93Å; N137-L140 PolarHBondContact O-N 3.2Å; L140-K142 PolarHBondContact O-N 3.38Å; L140-T144 CarbonylContact O-C 3.6Å; L140-T144 WeakPolarHBondContact O-CA 3.26Å; L140-T144 WeakPolarHBondContact O-CB 3.43Å; L140-T144 PolarHBondContact O-N 3.46Å; L140-L145 PolarHBondContact O-N 3.37Å; L140-L229 HydrophobicContact CD1-CD1 3.96Å; L140-L229 HydrophobicContact CD2-CB 4.15Å; L140-L229 HydrophobicContact CD2-CD1 3.47Å; L140-L229 VanDerWaalsContact CD2-CD1 3.47Å; L140-L229 HydrophobicContact CD2-CG 4.39Å; L140-L229 HydrophobicContact CG-CD1 4.36Å; L140-A232 HydrophobicContact CD2-CB 3.71Å; L140-A232 HydrophobicContact CG-CB 4.26Å
141	E	93.2	Very high	95.2	Very high	41 Å²	41	42.7 Å²	42.7	19%	0.192	22%	0.222	C	C	.	.	I	π-helix	trans	-53	-54.1	173.2	177.5	177.3	-153	0	0	110.9	Y85 W86 L87 N137 I139 C146	Y85-E141 HydrophobicContact CD1-CG 4.1Å; Y85-E141 HydrophobicContact CE1-CG 4.09Å; W86-E141 WeakPolarHBondContact CA-OE1 3.37Å; L87-E141 HydrophobicContact CB-CB 3.91Å; L87-E141 HydrophobicContact CB-CG 3.74Å; L87-E141 HydrophobicContact CD2-CB 4.07Å; L87-E141 PolarHBondContact N-OE1 3.02Å; N137-E141 WeakPolarHBondContact O-CB 3.42Å; N137-E141 PolarHBondContact O-N 3.11Å; I139-E141 PolarHBondContact O-N 2.92Å; E141-C146 VanDerWaalsContact O-CB 3.24Å; E141-C146 WeakPolarHBondContact O-CB 3.48Å; E141-C146 PolarHBondContact O-N 2.91Å
142	K	92.7	Very high	95.2	Very high	154 Å²	154	41.3 Å²	41.3	67%	0.67	21%	0.21	S	C	*	.	I	π-helix	trans	-74.6	-42.2	-173.7	-68.4	178.3	-179	179.6	0	113.2	A138 I139 L140	A138-K142 WeakPolarHBondContact O-CG 3.28Å; A138-K142 PolarHBondContact O-N 3.18Å; I139-K142 PolarHBondContact O-N 3.12Å; L140-K142 PolarHBondContact O-N 3.38Å
143	K	95.6	Very high	95	Very high	92 Å²	92	42.6 Å²	42.6	40%	0.4	22%	0.221	S	C	.	.	I	π-helix	trans	-99.5	-16.3	-167.6	-63	-159.5	179.7	-171.1	0	114.5	I139 E228	I139-K143 HydrophobicContact CG2-CD 4.02Å; I139-K143 HydrophobicContact CG2-CG 4.27Å; I139-K143 VanDerWaalsContact O-CB 3.3Å; I139-K143 WeakPolarHBondContact O-CB 3.35Å; I139-K143 PolarHBondContact O-N 3.23Å; K143-E228 HydrophobicContact CB-CB 3.88Å; K143-E228 HydrophobicContact CB-CG 4.14Å; K143-E228 HydrophobicContact CD-CB 4.16Å; K143-E228 HydrophobicContact CD-CG 3.87Å; K143-E228 WeakPolarHBondContact CD-OE2 3.21Å; K143-E228 IonicContact NZ-OE1 2.8Å; K143-E228 PolarHBondContact NZ-OE1 2.85Å; K143-E228 IonicContact NZ-OE2 3.96Å; K143-E228 PolarHBondContact NZ-OE2 3.28Å
144	T	97.3	Very high	94.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-121.3	-60.4	-178.3	-52.8	0	0	0	0	111	I56 L140 V147 L148 A225 L229	I56-T144 HydrophobicContact CD1-CG2 3.64Å; L140-T144 CarbonylContact O-C 3.6Å; L140-T144 WeakPolarHBondContact O-CA 3.26Å; L140-T144 WeakPolarHBondContact O-CB 3.43Å; L140-T144 PolarHBondContact O-N 3.46Å; T144-V147 PolarHBondContact O-N 3.11Å; T144-L148 HydrophobicContact CG2-CD1 4.3Å; T144-L148 WeakPolarHBondContact O-CG 3.49Å; T144-L148 PolarHBondContact O-N 3.3Å; T144-L148 VanDerWaalsContact O-N 3.15Å; T144-A225 HydrophobicContact CG2-CB 4.24Å; T144-A225 PolarHBondContact OG1-O 3.4Å; T144-L229 HydrophobicContact CG2-CB 4.25Å
145	L	95.8	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	I	π-helix	trans	-69.5	-41.6	-173.1	-65.3	166.2	0	0	0	112.2	M53 I56 E57 I60 Y85 L87 L140 V147 L148 H149	M53-L145 HydrophobicContact CB-CD2 4.49Å; M53-L145 HydrophobicContact CG-CD2 3.72Å; I56-L145 HydrophobicContact CB-CD2 3.87Å; I56-L145 HydrophobicContact CD1-CD2 4.47Å; I56-L145 HydrophobicContact CG2-CD1 4.03Å; I56-L145 HydrophobicContact CG2-CD2 3.68Å; I56-L145 HydrophobicContact CG2-CG 4.02Å; E57-L145 HydrophobicContact CG-CD2 4.17Å; I60-L145 HydrophobicContact CD1-CD1 4.07Å; Y85-L145 HydrophobicContact CD1-CB 4.02Å; Y85-L145 HydrophobicContact CE1-CB 3.32Å; Y85-L145 HydrophobicContact CE1-CD1 4.01Å; Y85-L145 HydrophobicContact CE1-CG 4.24Å; Y85-L145 HydrophobicContact CE2-CB 4.5Å; Y85-L145 WeakPolarHBondContact OH-CD1 3.01Å; L87-L145 HydrophobicContact CD1-CD1 3.78Å; L87-L145 HydrophobicContact CD2-CD1 4.04Å; L87-L145 HydrophobicContact CG-CD1 4.35Å; L140-L145 PolarHBondContact O-N 3.37Å; L145-V147 VanDerWaalsContact C-N 3.28Å; L145-V147 PolarHBondContact O-N 3.47Å; L145-L148 PolarHBondContact O-N 2.9Å; L145-H149 VanDerWaalsContact O-CB 3.24Å; L145-H149 WeakPolarHBondContact O-CB 3.16Å; L145-H149 PolarHBondContact O-N 2.95Å
146	C	94.7	Very high	95	Very high	56 Å²	56	38.4 Å²	38.4	38%	0.378	20%	0.199	S	C	.	.	H	α-helix	trans	-61.3	-36.2	175.8	-176.7	0	0	0	0	112.5	E141 H150	E141-C146 VanDerWaalsContact O-CB 3.24Å; E141-C146 WeakPolarHBondContact O-CB 3.48Å; E141-C146 PolarHBondContact O-N 2.91Å; C146-H150 WeakPolarHBondContact O-CB 3.45Å; C146-H150 PolarHBondContact O-N 3.24Å
147	V	96.1	Very high	95	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.285	21%	0.214	S	C	.	.	H	α-helix	trans	-66.2	-49.3	176.9	177.9	0	0	0	0	110.6	T144 L145 H149 H150 F151 A225	T144-V147 PolarHBondContact O-N 3.11Å; L145-V147 VanDerWaalsContact C-N 3.28Å; L145-V147 PolarHBondContact O-N 3.47Å; V147-H149 VanDerWaalsContact C-N 3.35Å; V147-H149 PolarHBondContact O-N 2.82Å; V147-H150 WeakPolarHBondContact O-CB 3.3Å; V147-H150 PolarHBondContact O-N 2.99Å; V147-F151 PolarHBondContact O-N 2.68Å; V147-A225 HydrophobicContact CB-CB 4.08Å; V147-A225 HydrophobicContact CG1-CB 4.1Å; V147-A225 HydrophobicContact CG2-CB 4.43Å
148	L	97.2	Very high	95	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-44.1	177.1	-64.8	170.1	0	0	0	111.4	I52 M53 I56 T144 L145 H150 F151 L152 N222	I52-L148 HydrophobicContact CB-CD1 4.31Å; I52-L148 HydrophobicContact CG2-CD1 3.71Å; M53-L148 HydrophobicContact CB-CB 4.41Å; M53-L148 HydrophobicContact CB-CD1 4.21Å; I56-L148 HydrophobicContact CD1-CD1 4.45Å; T144-L148 HydrophobicContact CG2-CD1 4.3Å; T144-L148 WeakPolarHBondContact O-CG 3.49Å; T144-L148 PolarHBondContact O-N 3.3Å; T144-L148 VanDerWaalsContact O-N 3.15Å; L145-L148 PolarHBondContact O-N 2.9Å; L148-H150 PolarHBondContact O-N 2.92Å; L148-F151 PolarHBondContact O-N 3.01Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 3.31Å; L148-L152 VanDerWaalsContact O-N 3.11Å; L148-N222 HydrophobicContact CD2-CB 4.46Å
149	H	95.2	Very high	95.2	Very high	31 Å²	31	43 Å²	43	14%	0.144	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-40.5	178.1	179.5	-92.1	0	0	0	112.3	M53 N82 Y85 L145 V147 F151 L152 A153	M53-H149 HydrophobicContact SD-CB 4.08Å; N82-H149 PolarHBondContact O-CE1 3.41Å; Y85-H149 HydrophobicContact CD2-CB 3.7Å; Y85-H149 AromaticContact CD2-CD2 3.54Å; Y85-H149 AromaticContact CD2-CG 3.59Å; Y85-H149 HydrophobicContact CE2-CB 4.49Å; Y85-H149 HydrophobicContact CG-CB 4Å; L145-H149 VanDerWaalsContact O-CB 3.24Å; L145-H149 WeakPolarHBondContact O-CB 3.16Å; L145-H149 PolarHBondContact O-N 2.95Å; V147-H149 VanDerWaalsContact C-N 3.35Å; V147-H149 PolarHBondContact O-N 2.82Å; H149-F151 VanDerWaalsContact C-N 3.33Å; H149-F151 PolarHBondContact O-N 3.39Å; H149-L152 PolarHBondContact O-N 3.16Å; H149-A153 WeakPolarHBondContact O-CB 3.38Å; H149-A153 PolarHBondContact O-N 3.48Å
150	H	94.7	Very high	95.2	Very high	88 Å²	88	44.8 Å²	44.8	41%	0.407	23%	0.225	S	C	.	.	H	α-helix	trans	-55.7	-48.9	177.5	-177.8	85.5	0	0	0	111.4	C146 V147 L148 I154 E155	C146-H150 WeakPolarHBondContact O-CB 3.45Å; C146-H150 PolarHBondContact O-N 3.24Å; V147-H150 WeakPolarHBondContact O-CB 3.3Å; V147-H150 PolarHBondContact O-N 2.99Å; L148-H150 PolarHBondContact O-N 2.92Å; H150-I154 VanDerWaalsContact O-CB 3.29Å; H150-I154 WeakPolarHBondContact O-CB 3.33Å; H150-I154 PolarHBondContact O-N 3.36Å; H150-E155 IonicContact CD2-OE1 2.81Å; H150-E155 PolarHBondContact CD2-OE1 3.25Å; H150-E155 IonicContact NE2-OE1 2.89Å
151	F	95.9	Very high	95.3	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	25%	0.253	C	S	.	.	I	π-helix	trans	-61.5	-47.9	176.8	171	-118.9	0	0	0	111.8	T45 H46 V147 L148 H149 A153 E155 W156 I159 V218	T45-F151 HydrophobicContact CG2-CD1 4.45Å; T45-F151 HydrophobicContact CG2-CE1 3.69Å; T45-F151 HydrophobicContact CG2-CZ 3.91Å; H46-F151 HydrophobicContact CB-CE1 4.26Å; H46-F151 HydrophobicContact CB-CZ 4.45Å; V147-F151 PolarHBondContact O-N 2.68Å; L148-F151 PolarHBondContact O-N 3.01Å; H149-F151 VanDerWaalsContact C-N 3.33Å; H149-F151 PolarHBondContact O-N 3.39Å; F151-A153 PolarHBondContact O-N 3.37Å; F151-E155 HydrophobicContact CD2-CB 3.72Å; F151-E155 HydrophobicContact CD2-CG 4.49Å; F151-E155 HydrophobicContact CE2-CB 4.31Å; F151-E155 PolarHBondContact O-N 3.05Å; F151-W156 HydrophobicContact CE2-CB 4.4Å; F151-W156 HydrophobicContact CZ-CB 4.45Å; F151-W156 HydrophobicContact CZ-CE3 4.07Å; F151-W156 WeakPolarHBondContact O-CB 3.29Å; F151-W156 PolarHBondContact O-N 2.95Å; F151-I159 HydrophobicContact CE2-CD1 4.41Å; F151-V218 HydrophobicContact CB-CG1 3.88Å; F151-V218 HydrophobicContact CD1-CG1 3.89Å; F151-V218 HydrophobicContact CD2-CB 4.16Å; F151-V218 HydrophobicContact CD2-CG1 3.4Å; F151-V218 VanDerWaalsContact CD2-CG1 3.4Å; F151-V218 HydrophobicContact CD2-CG2 3.74Å; F151-V218 HydrophobicContact CE1-CG1 4.25Å; F151-V218 HydrophobicContact CE2-CB 4.42Å; F151-V218 HydrophobicContact CE2-CG1 3.87Å; F151-V218 HydrophobicContact CE2-CG2 4.09Å; F151-V218 HydrophobicContact CG-CG1 3.44Å; F151-V218 VanDerWaalsContact CG-CG1 3.44Å; F151-V218 HydrophobicContact CZ-CG1 4.27Å
152	L	96	Very high	95.5	Very high	29 Å²	29	49.9 Å²	49.9	15%	0.152	25%	0.247	C	C	.	.	I	π-helix	trans	-65.3	-37.5	-177.8	-68.3	172.2	0	0	0	113.4	K50 M53 L148 H149 P157	K50-L152 HydrophobicContact CB-CD1 4.38Å; K50-L152 HydrophobicContact CB-CD2 4.2Å; M53-L152 HydrophobicContact CE-CD1 4.18Å; M53-L152 HydrophobicContact SD-CD1 3.95Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 3.31Å; L148-L152 VanDerWaalsContact O-N 3.11Å; H149-L152 PolarHBondContact O-N 3.16Å; L152-P157 WeakPolarHBondContact O-CD 3.38Å
153	A	93.2	Very high	95.7	Very high	31 Å²	31	44.3 Å²	44.3	26%	0.256	22%	0.224	S	C	.	.	I	π-helix	trans	-95.5	-21.9	-172	0	0	0	0	0	114.1	N82 H149 F151	N82-A153 WeakPolarHBondContact O-CB 3.36Å; H149-A153 WeakPolarHBondContact O-CB 3.38Å; H149-A153 PolarHBondContact O-N 3.48Å; F151-A153 PolarHBondContact O-N 3.37Å
154	I	91.6	Very high	95.7	Very high	41 Å²	41	42 Å²	42	21%	0.21	23%	0.226	C	C	.	.	I	π-helix	trans	-118.5	-62.5	-174.2	-52.5	-169.4	0	0	0	110.7	K83 H150 P157 E158	K83-I154 HydrophobicContact CB-CD1 4.26Å; K83-I154 HydrophobicContact CD-CD1 4.35Å; K83-I154 HydrophobicContact CG-CD1 4.1Å; K83-I154 HydrophobicContact CG-CG1 4.32Å; H150-I154 VanDerWaalsContact O-CB 3.29Å; H150-I154 WeakPolarHBondContact O-CB 3.33Å; H150-I154 PolarHBondContact O-N 3.36Å; I154-P157 WeakPolarHBondContact O-CD 3.15Å; I154-E158 WeakPolarHBondContact O-CG 3.42Å; I154-E158 PolarHBondContact O-N 3.36Å
155	E	94.2	Very high	95.7	Very high	57 Å²	57	45.3 Å²	45.3	27%	0.266	24%	0.242	S	C	.	.	I	π-helix	trans	-72	-43	-171.1	-61.4	-179.1	-99.1	0	0	112.6	H150 F151 E158 I159 V218	H150-E155 IonicContact CD2-OE1 2.81Å; H150-E155 PolarHBondContact CD2-OE1 3.25Å; H150-E155 IonicContact NE2-OE1 2.89Å; F151-E155 HydrophobicContact CD2-CB 3.72Å; F151-E155 HydrophobicContact CD2-CG 4.49Å; F151-E155 HydrophobicContact CE2-CB 4.31Å; F151-E155 PolarHBondContact O-N 3.05Å; E155-E158 WeakPolarHBondContact O-CB 3.39Å; E155-E158 PolarHBondContact O-N 3.09Å; E155-I159 WeakPolarHBondContact O-CG1 3.37Å; E155-I159 PolarHBondContact O-N 3.21Å; E155-V218 WeakPolarHBondContact OE2-CG2 3.4Å
156	W	96.9	Very high	95.7	Very high	18 Å²	18	45.4 Å²	45.4	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-45.6	-179.2	179.9	-106.2	0	0	0	113.2	A42 E43 H46 F151 E158 I159 Q160	A42-W156 HydrophobicContact CB-CZ3 4.05Å; A42-W156 WeakPolarHBondContact O-CZ3 3.47Å; E43-W156 HydrophobicContact CB-CH2 4.45Å; E43-W156 HydrophobicContact CG-CH2 3.91Å; H46-W156 HydrophobicContact CB-CD2 3.77Å; H46-W156 HydrophobicContact CB-CE3 3.77Å; H46-W156 HydrophobicContact CB-CG 4.45Å; H46-W156 HydrophobicContact CB-CH2 3.9Å; H46-W156 HydrophobicContact CB-CZ2 3.9Å; H46-W156 HydrophobicContact CB-CZ3 3.83Å; H46-W156 AromaticContact CD2-CD1 3.15Å; H46-W156 AromaticContact CD2-CD2 3.46Å; H46-W156 VanDerWaalsContact CD2-CD2 3.46Å; H46-W156 AromaticContact CD2-CE2 3.41Å; H46-W156 VanDerWaalsContact CD2-CE2 3.41Å; H46-W156 AromaticContact CD2-CG 3.29Å; H46-W156 AromaticContact CD2-NE1 3.18Å; H46-W156 PolarHBondContact CD2-NE1 2.89Å; H46-W156 AromaticContact CE1-NE1 3.75Å; H46-W156 AromaticContact CG-CD2 3.67Å; H46-W156 AromaticContact CG-CE2 3.43Å; H46-W156 VanDerWaalsContact CG-CE2 3.43Å; H46-W156 AromaticContact CG-CZ2 3.77Å; H46-W156 AromaticContact CG-NE1 3.62Å; H46-W156 AromaticContact ND1-CE2 3.95Å; H46-W156 AromaticContact ND1-NE1 3.95Å; H46-W156 AromaticContact NE2-CD1 3.35Å; H46-W156 VanDerWaalsContact NE2-CD1 3.35Å; H46-W156 AromaticContact NE2-CE2 3.92Å; H46-W156 AromaticContact NE2-CG 3.99Å; H46-W156 AromaticContact NE2-NE1 3.26Å; H46-W156 PolarHBondContact NE2-NE1 3.08Å; F151-W156 HydrophobicContact CE2-CB 4.4Å; F151-W156 HydrophobicContact CZ-CB 4.45Å; F151-W156 HydrophobicContact CZ-CE3 4.07Å; F151-W156 WeakPolarHBondContact O-CB 3.29Å; F151-W156 PolarHBondContact O-N 2.95Å; W156-E158 PolarHBondContact O-N 3.49Å; W156-I159 HydrophobicContact CE3-CB 4.37Å; W156-I159 HydrophobicContact CE3-CD1 4.19Å; W156-I159 HydrophobicContact CE3-CG2 4.32Å; W156-I159 HydrophobicContact CZ3-CG2 4.19Å; W156-I159 WeakPolarHBondContact O-CB 3.34Å; W156-I159 PolarHBondContact O-N 3.33Å; W156-I159 VanDerWaalsContact O-N 3.08Å; W156-Q160 HydrophobicContact CD2-CG 4.33Å; W156-Q160 HydrophobicContact CG-CG 4.44Å; W156-Q160 HydrophobicContact CZ2-CG 4.25Å; W156-Q160 WeakPolarHBondContact O-CG 3.4Å; W156-Q160 PolarHBondContact O-N 2.93Å
157	P	95.7	Very high	95.8	Very high	55 Å²	55	46.1 Å²	46.1	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-33.7	172.9	-29.1	37.6	0	0	0	113.8	L152 I154 Q160 K161	L152-P157 WeakPolarHBondContact O-CD 3.38Å; I154-P157 WeakPolarHBondContact O-CD 3.15Å; P157-Q160 PolarHBondContact O-N 3.19Å; P157-K161 WeakPolarHBondContact O-CB 3.48Å; P157-K161 PolarHBondContact O-N 3.21Å
158	E	94.7	Very high	95.7	Very high	84 Å²	84	45.8 Å²	45.8	39%	0.393	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-44.9	172.9	-71.1	-174	-174.7	0	0	111.5	I154 E155 W156 Q160 K161 E162 R211	I154-E158 WeakPolarHBondContact O-CG 3.42Å; I154-E158 PolarHBondContact O-N 3.36Å; E155-E158 WeakPolarHBondContact O-CB 3.39Å; E155-E158 PolarHBondContact O-N 3.09Å; W156-E158 PolarHBondContact O-N 3.49Å; E158-Q160 VanDerWaalsContact C-N 3.34Å; E158-Q160 PolarHBondContact O-N 3.28Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 2.9Å; E158-E162 WeakPolarHBondContact O-CG 3.29Å; E158-E162 PolarHBondContact O-N 2.94Å; E158-E162 VanDerWaalsContact O-N 3.11Å; E158-R211 IonicContact OE2-CZ 2.59Å; E158-R211 IonicContact OE2-NH1 3.99Å; E158-R211 IonicContact OE2-NH2 3.5Å; E158-R211 PolarHBondContact OE2-NH2 2.96Å; E158-R211 VanDerWaalsContact OE2-NH2 3.15Å
159	I	96.8	Very high	95.7	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.041	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-46.7	174.1	-67.7	167.4	0	0	0	110.5	F151 E155 W156 K161 E162 L163 R211 L212 V215	F151-I159 HydrophobicContact CE2-CD1 4.41Å; E155-I159 WeakPolarHBondContact O-CG1 3.37Å; E155-I159 PolarHBondContact O-N 3.21Å; W156-I159 HydrophobicContact CE3-CB 4.37Å; W156-I159 HydrophobicContact CE3-CD1 4.19Å; W156-I159 HydrophobicContact CE3-CG2 4.32Å; W156-I159 HydrophobicContact CZ3-CG2 4.19Å; W156-I159 WeakPolarHBondContact O-CB 3.34Å; W156-I159 PolarHBondContact O-N 3.33Å; W156-I159 VanDerWaalsContact O-N 3.08Å; I159-K161 VanDerWaalsContact C-N 3.29Å; I159-K161 PolarHBondContact O-N 3.02Å; I159-E162 PolarHBondContact O-N 3.32Å; I159-L163 HydrophobicContact CG2-CD1 3.86Å; I159-L163 HydrophobicContact CG2-CG 4.39Å; I159-L163 WeakPolarHBondContact O-CG 3.24Å; I159-L163 PolarHBondContact O-N 2.69Å; I159-R211 HydrophobicContact CG1-CB 4.37Å; I159-L212 HydrophobicContact CG2-CD2 3.81Å; I159-V215 HydrophobicContact CD1-CG2 3.62Å
160	Q	96.8	Very high	95.8	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.481	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-39.2	177.9	-71.3	-173.6	-52.3	0	0	112.2	W156 P157 E158 L163 G164	W156-Q160 HydrophobicContact CD2-CG 4.33Å; W156-Q160 HydrophobicContact CG-CG 4.44Å; W156-Q160 HydrophobicContact CZ2-CG 4.25Å; W156-Q160 WeakPolarHBondContact O-CG 3.4Å; W156-Q160 PolarHBondContact O-N 2.93Å; P157-Q160 PolarHBondContact O-N 3.19Å; E158-Q160 VanDerWaalsContact C-N 3.34Å; E158-Q160 PolarHBondContact O-N 3.28Å; Q160-L163 PolarHBondContact O-N 3.22Å; Q160-G164 PolarHBondContact O-N 3.32Å
161	K	96.5	Very high	95.7	Very high	133 Å²	133	45.4 Å²	45.4	58%	0.578	24%	0.236	S	C	*	.	H	α-helix	trans	-62.3	-45	175.9	-175.7	-179.5	179.7	-179	0	111.7	P157 E158 I159 G164 H165	P157-K161 WeakPolarHBondContact O-CB 3.48Å; P157-K161 PolarHBondContact O-N 3.21Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 2.9Å; I159-K161 VanDerWaalsContact C-N 3.29Å; I159-K161 PolarHBondContact O-N 3.02Å; K161-G164 PolarHBondContact O-N 2.91Å; K161-H165 PolarHBondContact O-N 2.69Å
162	E	97.1	Very high	95.7	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-35.4	178.1	-59.3	-53.3	161	0	0	112.6	E158 I159 H165 L166 Q204 K207 T208 R211	E158-E162 WeakPolarHBondContact O-CG 3.29Å; E158-E162 PolarHBondContact O-N 2.94Å; E158-E162 VanDerWaalsContact O-N 3.11Å; I159-E162 PolarHBondContact O-N 3.32Å; E162-H165 PolarHBondContact O-N 3.01Å; E162-H165 IonicContact OE2-ND1 3.82Å; E162-L166 WeakPolarHBondContact O-CB 3.5Å; E162-L166 PolarHBondContact O-N 3.28Å; E162-Q204 PolarHBondContact O-NE2 3.19Å; E162-Q204 VanDerWaalsContact O-NE2 3.12Å; E162-Q204 PolarHBondContact OE2-NE2 3.13Å; E162-K207 VanDerWaalsContact CD-CE 3.42Å; E162-K207 VanDerWaalsContact OE1-CE 3.27Å; E162-K207 WeakPolarHBondContact OE1-CE 3.39Å; E162-K207 IonicContact OE1-NZ 3.38Å; E162-K207 PolarHBondContact OE1-NZ 3.09Å; E162-K207 VanDerWaalsContact OE2-CE 3.3Å; E162-K207 WeakPolarHBondContact OE2-CE 3.38Å; E162-K207 IonicContact OE2-NZ 3.72Å; E162-K207 PolarHBondContact OE2-NZ 3.03Å; E162-T208 PolarHBondContact O-OG1 3.22Å; E162-R211 HydrophobicContact CG-CG 4.31Å
163	L	97	Very high	95.7	Very high	37 Å²	37	48 Å²	48	19%	0.194	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-40.7	170.9	-73.8	168.1	0	0	0	111.7	F35 L39 I159 Q160 L166 E167 T208	F35-L163 HydrophobicContact CZ-CD2 4.4Å; L39-L163 HydrophobicContact CD1-CD1 3.7Å; L39-L163 HydrophobicContact CD1-CD2 3.82Å; L39-L163 HydrophobicContact CD1-CG 4.43Å; L39-L163 HydrophobicContact CD2-CD2 4.45Å; I159-L163 HydrophobicContact CG2-CD1 3.86Å; I159-L163 HydrophobicContact CG2-CG 4.39Å; I159-L163 WeakPolarHBondContact O-CG 3.24Å; I159-L163 PolarHBondContact O-N 2.69Å; Q160-L163 PolarHBondContact O-N 3.22Å; L163-L166 PolarHBondContact O-N 3.43Å; L163-E167 WeakPolarHBondContact O-CB 3.1Å; L163-E167 PolarHBondContact O-N 3.18Å; L163-T208 HydrophobicContact CD2-CG2 3.72Å; L163-T208 HydrophobicContact CG-CG2 4.14Å
164	G	96.1	Very high	95.7	Very high	43 Å²	43	47.2 Å²	47.2	44%	0.443	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-41.5	175.6	0	0	0	0	0	113	Q160 K161 S168	Q160-G164 PolarHBondContact O-N 3.32Å; K161-G164 PolarHBondContact O-N 2.91Å; G164-S168 PolarHBondContact O-N 3.28Å; G164-S168 VanDerWaalsContact O-N 3.09Å
165	H	97	Very high	95.7	Very high	69 Å²	69	49.6 Å²	49.6	32%	0.319	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-45.3	172.6	-65.9	156.6	0	0	0	111.8	K161 E162 E167 S168 Y169 Q204	K161-H165 PolarHBondContact O-N 2.69Å; E162-H165 PolarHBondContact O-N 3.01Å; E162-H165 IonicContact OE2-ND1 3.82Å; H165-E167 VanDerWaalsContact C-N 3.31Å; H165-E167 PolarHBondContact O-N 3.13Å; H165-S168 WeakPolarHBondContact O-CB 3.44Å; H165-S168 PolarHBondContact O-N 3.41Å; H165-S168 VanDerWaalsContact O-N 3.16Å; H165-Y169 HydrophobicContact CB-CD2 4.43Å; H165-Y169 HydrophobicContact CB-CE2 4.07Å; H165-Y169 WeakPolarHBondContact O-CD2 3.47Å; H165-Y169 PolarHBondContact O-N 3.32Å; H165-Q204 HydrophobicContact CB-CG 4.2Å
166	L	96.9	Very high	95.6	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-46.5	179.1	-179.6	62.4	0	0	0	111.2	F31 F35 E162 L163 S168 Y169 R170 L201 Q204 L205 T208	F31-L166 HydrophobicContact CE1-CD1 4.15Å; F31-L166 HydrophobicContact CE1-CD2 4.22Å; F31-L166 HydrophobicContact CE1-CG 4.27Å; F31-L166 HydrophobicContact CE2-CD2 4.22Å; F31-L166 HydrophobicContact CZ-CD1 4.18Å; F31-L166 HydrophobicContact CZ-CD2 3.82Å; F31-L166 HydrophobicContact CZ-CG 3.82Å; F35-L166 HydrophobicContact CE1-CD2 4.06Å; F35-L166 HydrophobicContact CE2-CD2 4.06Å; F35-L166 HydrophobicContact CZ-CD2 3.38Å; E162-L166 WeakPolarHBondContact O-CB 3.5Å; E162-L166 PolarHBondContact O-N 3.28Å; L163-L166 PolarHBondContact O-N 3.43Å; L166-S168 PolarHBondContact O-N 3.07Å; L166-Y169 PolarHBondContact O-N 3.24Å; L166-R170 WeakPolarHBondContact O-CB 3.33Å; L166-R170 PolarHBondContact O-N 3.39Å; L166-L201 HydrophobicContact CD1-CD1 3.66Å; L166-Q204 HydrophobicContact CB-CG 3.93Å; L166-Q204 HydrophobicContact CD1-CB 4.28Å; L166-Q204 HydrophobicContact CD1-CG 4.11Å; L166-L205 HydrophobicContact CD1-CB 3.97Å; L166-L205 HydrophobicContact CD1-CD1 4.21Å; L166-L205 HydrophobicContact CD2-CD1 4.01Å; L166-T208 HydrophobicContact CD2-CG2 4.06Å
167	E	95.4	Very high	95.4	Very high	70 Å²	70	50.7 Å²	50.7	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-41.4	177.4	-178.5	62.6	-175.2	0	0	111.9	L163 H165 Y169 R170 L171	L163-E167 WeakPolarHBondContact O-CB 3.1Å; L163-E167 PolarHBondContact O-N 3.18Å; H165-E167 VanDerWaalsContact C-N 3.31Å; H165-E167 PolarHBondContact O-N 3.13Å; E167-Y169 PolarHBondContact O-N 3.04Å; E167-R170 WeakPolarHBondContact O-CB 3.22Å; E167-R170 PolarHBondContact O-N 3.26Å; E167-R170 IonicContact OE1-CZ 3.84Å; E167-R170 IonicContact OE1-NE 2.69Å; E167-R170 IonicContact OE1-NH2 3.36Å; E167-R170 PolarHBondContact OE1-NH2 2.72Å; E167-R170 IonicContact OE2-CZ 3.5Å; E167-R170 IonicContact OE2-NE 3.53Å; E167-R170 PolarHBondContact OE2-NE 3.15Å; E167-R170 IonicContact OE2-NH2 2.68Å; E167-L171 HydrophobicContact CG-CD1 4.43Å; E167-L171 VanDerWaalsContact O-CG 3.3Å; E167-L171 WeakPolarHBondContact O-CG 3.47Å; E167-L171 PolarHBondContact O-N 3.14Å
168	S	96.1	Very high	95.2	Very high	40 Å²	40	50.4 Å²	50.4	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-46.6	175.2	-171.5	0	0	0	0	112	G164 H165 L166 R170 L171 D172	G164-S168 PolarHBondContact O-N 3.28Å; G164-S168 VanDerWaalsContact O-N 3.09Å; H165-S168 WeakPolarHBondContact O-CB 3.44Å; H165-S168 PolarHBondContact O-N 3.41Å; H165-S168 VanDerWaalsContact O-N 3.16Å; L166-S168 PolarHBondContact O-N 3.07Å; S168-R170 VanDerWaalsContact C-N 3.34Å; S168-L171 PolarHBondContact O-N 3.48Å; S168-D172 PolarHBondContact O-N 3.41Å; S168-D172 VanDerWaalsContact O-N 3.11Å
169	Y	97	Very high	94.9	Very high	81 Å²	81	51.7 Å²	51.7	32%	0.318	26%	0.255	S	S	.	.	H	α-helix	trans	-70.2	-32.4	179.5	-63.1	-47.5	0	0	0	112.4	H165 L166 E167 D172 Y173 V200 Q204	H165-Y169 HydrophobicContact CB-CD2 4.43Å; H165-Y169 HydrophobicContact CB-CE2 4.07Å; H165-Y169 WeakPolarHBondContact O-CD2 3.47Å; H165-Y169 PolarHBondContact O-N 3.32Å; L166-Y169 PolarHBondContact O-N 3.24Å; E167-Y169 PolarHBondContact O-N 3.04Å; Y169-D172 PolarHBondContact O-N 3.45Å; Y169-Y173 PolarHBondContact O-N 3.12Å; Y169-V200 HydrophobicContact CD1-CG1 3.61Å; Y169-V200 HydrophobicContact CD2-CG1 3.95Å; Y169-V200 HydrophobicContact CE1-CG1 3.61Å; Y169-V200 HydrophobicContact CE2-CG1 3.95Å; Y169-V200 HydrophobicContact CG-CG1 3.79Å; Y169-Q204 HydrophobicContact CD2-CB 3.7Å; Y169-Q204 HydrophobicContact CD2-CG 3.8Å; Y169-Q204 HydrophobicContact CE2-CB 4.12Å; Y169-Q204 HydrophobicContact CE2-CG 4.11Å
170	R	96.1	Very high	94.6	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-48.5	172.4	-174	-163.1	64	78.2	-8.7	110.3	E21 F31 L166 E167 S168 D172 Y173 D174 L201	E21-R170 IonicContact OE1-NH2 3.99Å; E21-R170 PolarHBondContact OE1-NH2 3.18Å; F31-R170 HydrophobicContact CZ-CG 4.41Å; L166-R170 WeakPolarHBondContact O-CB 3.33Å; L166-R170 PolarHBondContact O-N 3.39Å; E167-R170 WeakPolarHBondContact O-CB 3.22Å; E167-R170 PolarHBondContact O-N 3.26Å; E167-R170 IonicContact OE1-CZ 3.84Å; E167-R170 IonicContact OE1-NE 2.69Å; E167-R170 IonicContact OE1-NH2 3.36Å; E167-R170 PolarHBondContact OE1-NH2 2.72Å; E167-R170 IonicContact OE2-CZ 3.5Å; E167-R170 IonicContact OE2-NE 3.53Å; E167-R170 PolarHBondContact OE2-NE 3.15Å; E167-R170 IonicContact OE2-NH2 2.68Å; S168-R170 VanDerWaalsContact C-N 3.34Å; R170-D172 VanDerWaalsContact C-N 3.33Å; R170-D172 PolarHBondContact O-N 3.41Å; R170-Y173 PolarHBondContact O-N 2.95Å; R170-D174 IonicContact CZ-OD2 2.71Å; R170-D174 IonicContact NH1-OD2 3.39Å; R170-D174 PolarHBondContact NH1-OD2 3.49Å; R170-D174 WeakPolarHBondContact O-CB 3.47Å; R170-D174 PolarHBondContact O-N 2.92Å; R170-L201 HydrophobicContact CB-CD1 4.05Å
171	L	93.9	Very high	94.2	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-38.7	178.9	-71	170.5	0	0	0	112.6	Q17 E21 E167 S168 K175	Q17-L171 HydrophobicContact CG-CD2 4.34Å; Q17-L171 PolarHBondContact NE2-O 3.39Å; E21-L171 VanDerWaalsContact OE1-CD2 3.27Å; E21-L171 WeakPolarHBondContact OE1-CD2 3.33Å; E167-L171 HydrophobicContact CG-CD1 4.43Å; E167-L171 VanDerWaalsContact O-CG 3.3Å; E167-L171 WeakPolarHBondContact O-CG 3.47Å; E167-L171 PolarHBondContact O-N 3.14Å; S168-L171 PolarHBondContact O-N 3.48Å; L171-K175 VanDerWaalsContact O-CB 3.25Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.95Å
172	D	94.4	Very high	93.7	Very high	60 Å²	60	54.4 Å²	54.4	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-45.2	176.2	-74.4	-31.7	0	0	0	111.4	S168 Y169 R170 K175 F176	S168-D172 PolarHBondContact O-N 3.41Å; S168-D172 VanDerWaalsContact O-N 3.11Å; Y169-D172 PolarHBondContact O-N 3.45Å; R170-D172 VanDerWaalsContact C-N 3.33Å; R170-D172 PolarHBondContact O-N 3.41Å; D172-K175 WeakPolarHBondContact O-CB 3.44Å; D172-K175 PolarHBondContact O-N 3.15Å; D172-F176 WeakPolarHBondContact O-CD2 2.98Å; D172-F176 PolarHBondContact O-N 3.41Å; D172-F176 VanDerWaalsContact O-N 3.13Å
173	Y	95.7	Very high	93.2	Very high	23 Å²	23	57 Å²	57	9%	0.09	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-48.9	175.6	173.9	-117.9	0	0	0	111.9	T29 Y169 R170 K175 F176 R177 M194 K198 L201	T29-Y173 WeakPolarHBondContact OG1-CD1 3.36Å; T29-Y173 WeakPolarHBondContact OG1-CE1 3.35Å; Y169-Y173 PolarHBondContact O-N 3.12Å; R170-Y173 PolarHBondContact O-N 2.95Å; Y173-K175 VanDerWaalsContact C-N 3.25Å; Y173-K175 PolarHBondContact O-N 3.22Å; Y173-F176 PolarHBondContact O-N 2.9Å; Y173-F176 VanDerWaalsContact O-N 3.15Å; Y173-R177 HydrophobicContact CE2-CB 4.49Å; Y173-R177 VanDerWaalsContact O-CB 3.31Å; Y173-R177 WeakPolarHBondContact O-CB 3.48Å; Y173-R177 PolarHBondContact O-N 2.94Å; Y173-M194 HydrophobicContact CD2-CG 4.29Å; Y173-M194 HydrophobicContact CE2-CG 3.94Å; Y173-K198 HydrophobicContact CD2-CB 3.71Å; Y173-K198 HydrophobicContact CD2-CG 4.32Å; Y173-K198 HydrophobicContact CE2-CB 3.59Å; Y173-K198 HydrophobicContact CE2-CD 4.15Å; Y173-K198 HydrophobicContact CE2-CG 3.85Å; Y173-L201 HydrophobicContact CD1-CD2 3.58Å; Y173-L201 HydrophobicContact CE1-CD2 4.43Å; Y173-L201 HydrophobicContact CG-CD2 3.95Å
174	D	93.8	Very high	92.7	Very high	15 Å²	15	63 Å²	63	8%	0.08	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-36.5	179.6	-74.8	-15.2	0	0	0	111.6	T29 R170 R177 S178	T29-D174 VanDerWaalsContact CB-OD1 3.32Å; T29-D174 WeakPolarHBondContact CB-OD1 3.46Å; T29-D174 PolarHBondContact N-OD1 3.31Å; T29-D174 PolarHBondContact N-OD2 3.4Å; T29-D174 PolarHBondContact OG1-OD1 2.78Å; R170-D174 IonicContact CZ-OD2 2.71Å; R170-D174 IonicContact NH1-OD2 3.39Å; R170-D174 PolarHBondContact NH1-OD2 3.49Å; R170-D174 WeakPolarHBondContact O-CB 3.47Å; R170-D174 PolarHBondContact O-N 2.92Å; D174-R177 IonicContact OD1-CZ 3.13Å; D174-R177 IonicContact OD1-NE 2.76Å; D174-R177 IonicContact OD1-NH1 3.91Å; D174-R177 IonicContact OD1-NH2 3.8Å; D174-R177 PolarHBondContact OD1-NH2 2.92Å; D174-R177 VanDerWaalsContact OD1-NH2 3.13Å; D174-S178 VanDerWaalsContact O-CB 3.31Å; D174-S178 WeakPolarHBondContact O-CB 3.47Å; D174-S178 PolarHBondContact O-N 2.96Å
175	K	91.9	Very high	92.5	Very high	92 Å²	92	69.6 Å²	69.6	40%	0.4	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-48	174.3	175.9	-176.1	176.4	-175.9	0	112.3	L171 D172 Y173 K179	L171-K175 VanDerWaalsContact O-CB 3.25Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 2.95Å; D172-K175 WeakPolarHBondContact O-CB 3.44Å; D172-K175 PolarHBondContact O-N 3.15Å; Y173-K175 VanDerWaalsContact C-N 3.25Å; Y173-K175 PolarHBondContact O-N 3.22Å; K175-K179 WeakPolarHBondContact O-CG 3.34Å; K175-K179 PolarHBondContact O-N 2.96Å
176	F	92.7	Very high	92.1	Very high	41 Å²	41	68 Å²	68	18%	0.18	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-38.7	178.5	-68.9	-60.6	0	0	0	111.8	D172 Y173 S178 K179 V180 K193 M194 A197	D172-F176 WeakPolarHBondContact O-CD2 2.98Å; D172-F176 PolarHBondContact O-N 3.41Å; D172-F176 VanDerWaalsContact O-N 3.13Å; Y173-F176 PolarHBondContact O-N 2.9Å; Y173-F176 VanDerWaalsContact O-N 3.15Å; F176-S178 PolarHBondContact O-N 3.37Å; F176-K179 WeakPolarHBondContact O-CB 3.36Å; F176-K179 PolarHBondContact O-N 3.29Å; F176-V180 WeakPolarHBondContact O-CG2 3.47Å; F176-V180 PolarHBondContact O-N 2.93Å; F176-K193 HydrophobicContact CD1-CB 3.97Å; F176-K193 HydrophobicContact CD2-CB 4.39Å; F176-K193 HydrophobicContact CE1-CB 3.82Å; F176-K193 HydrophobicContact CE1-CD 3.88Å; F176-K193 HydrophobicContact CE1-CG 4.41Å; F176-K193 HydrophobicContact CE2-CB 4.26Å; F176-K193 HydrophobicContact CG-CB 4.27Å; F176-K193 HydrophobicContact CZ-CB 3.98Å; F176-K193 HydrophobicContact CZ-CD 4.16Å; F176-K193 HydrophobicContact CZ-CG 4.46Å; F176-M194 HydrophobicContact CB-CB 3.84Å; F176-M194 HydrophobicContact CB-CG 4.15Å; F176-A197 HydrophobicContact CD2-CB 3.88Å; F176-A197 HydrophobicContact CE2-CB 4.36Å
177	R	92.4	Very high	91.8	Very high	56 Å²	56	70.8 Å²	70.8	21%	0.211	33%	0.334	C	S	.	.	H	α-helix	trans	-58.7	-45.8	174.9	-174.4	174.7	74.2	-169.5	2.2	112	E27 T29 Y173 D174 K179 V180 K181 M194	E27-R177 PolarHBondContact O-NH2 2.94Å; T29-R177 PolarHBondContact OG1-NH1 3.17Å; T29-R177 PolarHBondContact OG1-NH2 3.11Å; Y173-R177 HydrophobicContact CE2-CB 4.49Å; Y173-R177 VanDerWaalsContact O-CB 3.31Å; Y173-R177 WeakPolarHBondContact O-CB 3.48Å; Y173-R177 PolarHBondContact O-N 2.94Å; D174-R177 IonicContact OD1-CZ 3.13Å; D174-R177 IonicContact OD1-NE 2.76Å; D174-R177 IonicContact OD1-NH1 3.91Å; D174-R177 IonicContact OD1-NH2 3.8Å; D174-R177 PolarHBondContact OD1-NH2 2.92Å; D174-R177 VanDerWaalsContact OD1-NH2 3.13Å; R177-K179 PolarHBondContact O-N 2.98Å; R177-V180 PolarHBondContact O-N 3.11Å; R177-K181 WeakPolarHBondContact O-CB 3.47Å; R177-K181 PolarHBondContact O-N 3.37Å; R177-M194 HydrophobicContact CB-SD 4.33Å
178	S	90.3	Very high	91.7	Very high	50 Å²	50	72.8 Å²	72.8	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-42.5	176	178.2	0	0	0	0	111.9	D174 F176 V180 K181 H182	D174-S178 VanDerWaalsContact O-CB 3.31Å; D174-S178 WeakPolarHBondContact O-CB 3.47Å; D174-S178 PolarHBondContact O-N 2.96Å; F176-S178 PolarHBondContact O-N 3.37Å; S178-V180 PolarHBondContact O-N 3.31Å; S178-K181 PolarHBondContact O-N 3.27Å; S178-H182 PolarHBondContact O-CD2 2.97Å; S178-H182 PolarHBondContact O-N 3.3Å; S178-H182 PolarHBondContact OG-CD2 3.37Å
179	K	89.6	Confident	91.6	Very high	111 Å²	111	76.5 Å²	76.5	48%	0.483	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175.9	-75.9	-177.2	173.4	-163.5	0	113.2	K175 F176 R177 N183 T190	K175-K179 WeakPolarHBondContact O-CG 3.34Å; K175-K179 PolarHBondContact O-N 2.96Å; F176-K179 WeakPolarHBondContact O-CB 3.36Å; F176-K179 PolarHBondContact O-N 3.29Å; R177-K179 PolarHBondContact O-N 2.98Å; K179-N183 WeakPolarHBondContact O-CB 3.45Å; K179-N183 PolarHBondContact O-N 3.46Å; K179-T190 HydrophobicContact CB-CG2 4.25Å
180	V	89.9	Confident	91.4	Very high	26 Å²	26	73.8 Å²	73.8	16%	0.158	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-43.1	176.6	171.5	0	0	0	0	110.5	F176 R177 S178 H182 N183 P186 T190 L191 M194	F176-V180 WeakPolarHBondContact O-CG2 3.47Å; F176-V180 PolarHBondContact O-N 2.93Å; R177-V180 PolarHBondContact O-N 3.11Å; S178-V180 PolarHBondContact O-N 3.31Å; V180-H182 PolarHBondContact O-N 2.9Å; V180-N183 PolarHBondContact O-N 3.26Å; V180-N183 VanDerWaalsContact O-O 3.05Å; V180-P186 HydrophobicContact CG1-CB 4.27Å; V180-P186 HydrophobicContact CG1-CG 3.89Å; V180-P186 HydrophobicContact CG2-CB 4.42Å; V180-T190 HydrophobicContact CG2-CG2 3.8Å; V180-L191 HydrophobicContact CG1-CD2 3.75Å; V180-L191 HydrophobicContact CG2-CD2 3.99Å; V180-M194 HydrophobicContact CB-SD 3.95Å; V180-M194 HydrophobicContact CG1-SD 4.19Å; V180-M194 HydrophobicContact CG2-CB 4.27Å; V180-M194 HydrophobicContact CG2-SD 3.75Å
181	K	88.5	Confident	91.3	Very high	126 Å²	126	77 Å²	77	55%	0.548	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-34.6	179.9	-169.8	179.2	-173.7	178.9	0	113.5	E27 R177 S178	E27-K181 IonicContact OE1-NZ 2.62Å; E27-K181 PolarHBondContact OE1-NZ 3.43Å; E27-K181 IonicContact OE2-NZ 2.75Å; E27-K181 PolarHBondContact OE2-NZ 2.94Å; R177-K181 WeakPolarHBondContact O-CB 3.47Å; R177-K181 PolarHBondContact O-N 3.37Å; S178-K181 PolarHBondContact O-N 3.27Å
182	H	86.6	Confident	91.4	Very high	149 Å²	149	82 Å²	82	69%	0.69	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-0.8	-179.4	-71.5	-61.4	0	0	0	114.3	S178 V180	S178-H182 PolarHBondContact O-CD2 2.97Å; S178-H182 PolarHBondContact O-N 3.3Å; S178-H182 PolarHBondContact OG-CD2 3.37Å; V180-H182 PolarHBondContact O-N 2.9Å
183	N	87	Confident	91.5	Very high	69 Å²	69	83.1 Å²	83.1	37%	0.369	40%	0.398	S	S	.	.			trans	-114.1	117.8	176	-173	-4.4	0	0	0	109.3	K179 V180 Y185 P186	K179-N183 WeakPolarHBondContact O-CB 3.45Å; K179-N183 PolarHBondContact O-N 3.46Å; V180-N183 PolarHBondContact O-N 3.26Å; V180-N183 VanDerWaalsContact O-O 3.05Å; N183-Y185 PolarHBondContact ND2-O 3.28Å; N183-Y185 PolarHBondContact O-N 3.32Å; N183-Y185 PolarHBondContact OD1-N 3.36Å; N183-Y185 VanDerWaalsContact OD1-N 3.07Å; N183-Y185 PolarHBondContact OD1-O 2.67Å; N183-P186 HydrophobicContact CB-CG 4.46Å; N183-P186 VanDerWaalsContact O-CD 3.23Å; N183-P186 WeakPolarHBondContact O-CD 3.18Å; N183-P186 VanDerWaalsContact O-CG 3.28Å; N183-P186 WeakPolarHBondContact O-CG 3.26Å
184	E	86.5	Confident	91.5	Very high	163 Å²	163	83.1 Å²	83.1	76%	0.762	40%	0.399	S	S	*	.	S	Bend	trans	-64.7	-27.5	179.6	-165.9	174.9	178.5	0	0	112.3
185	Y	90.2	Very high	91.6	Very high	182 Å²	182	86.5 Å²	86.5	71%	0.714	41%	0.414	S	S	*	.	S	Bend	trans	-128	75.8	175	-57.7	-85.1	0	0	0	110	N183 D187	N183-Y185 PolarHBondContact ND2-O 3.28Å; N183-Y185 PolarHBondContact O-N 3.32Å; N183-Y185 PolarHBondContact OD1-N 3.36Å; N183-Y185 VanDerWaalsContact OD1-N 3.07Å; N183-Y185 PolarHBondContact OD1-O 2.67Å; Y185-D187 PolarHBondContact O-N 2.76Å
186	P	88.5	Confident	91.9	Very high	35 Å²	35	86.1 Å²	86.1	23%	0.227	42%	0.416	C	S	.	.			trans	-58.8	129.4	177.1	-19	31.8	0	0	0	110.3	V180 N183 L191	V180-P186 HydrophobicContact CG1-CB 4.27Å; V180-P186 HydrophobicContact CG1-CG 3.89Å; V180-P186 HydrophobicContact CG2-CB 4.42Å; N183-P186 HydrophobicContact CB-CG 4.46Å; N183-P186 VanDerWaalsContact O-CD 3.23Å; N183-P186 WeakPolarHBondContact O-CD 3.18Å; N183-P186 VanDerWaalsContact O-CG 3.28Å; N183-P186 WeakPolarHBondContact O-CG 3.26Å; P186-L191 HydrophobicContact CB-CD1 4.27Å; P186-L191 HydrophobicContact CB-CD2 3.95Å; P186-L191 HydrophobicContact CB-CG 3.87Å; P186-L191 HydrophobicContact CG-CD2 4.42Å
187	D	91.8	Very high	92.1	Very high	63 Å²	63	84.9 Å²	84.9	34%	0.337	41%	0.413	S	S	.	.			trans	-65.8	151.7	175.9	67.2	89.7	0	0	0	110.9	Y185 E189 T190 L191	Y185-D187 PolarHBondContact O-N 2.76Å; D187-E189 PolarHBondContact O-N 3.11Å; D187-E189 VanDerWaalsContact O-N 3.12Å; D187-E189 WeakPolarHBondContact OD1-CA 3.49Å; D187-E189 VanDerWaalsContact OD1-CB 3.27Å; D187-E189 WeakPolarHBondContact OD1-CB 3.2Å; D187-E189 PolarHBondContact OD1-N 3.24Å; D187-E189 VanDerWaalsContact OD1-N 3.09Å; D187-T190 VanDerWaalsContact CG-OG1 3.3Å; D187-T190 PolarHBondContact O-N 3.28Å; D187-T190 PolarHBondContact OD1-N 2.97Å; D187-T190 PolarHBondContact OD1-OG1 3.48Å; D187-T190 VanDerWaalsContact OD2-CB 3.25Å; D187-T190 WeakPolarHBondContact OD2-CB 3.27Å; D187-T190 PolarHBondContact OD2-OG1 2.75Å; D187-L191 PolarHBondContact O-N 3.18Å; D187-L191 VanDerWaalsContact O-N 3.16Å
188	P	93	Very high	92.3	Very high	111 Å²	111	85.4 Å²	85.4	72%	0.721	42%	0.417	S	S	*	.	H	α-helix	trans	-58	-28.1	-178.2	-26.2	34.8	0	0	0	114.2	K192	P188-K192 WeakPolarHBondContact O-CB 3.45Å; P188-K192 PolarHBondContact O-N 3.35Å
189	E	94.1	Very high	92.7	Very high	118 Å²	118	87.4 Å²	87.4	55%	0.551	43%	0.428	S	S	*	.	H	α-helix	trans	-73.9	-41.8	-180	-171.7	-172.7	162.9	0	0	111.4	D187 K192 K193	D187-E189 PolarHBondContact O-N 3.11Å; D187-E189 VanDerWaalsContact O-N 3.12Å; D187-E189 WeakPolarHBondContact OD1-CA 3.49Å; D187-E189 VanDerWaalsContact OD1-CB 3.27Å; D187-E189 WeakPolarHBondContact OD1-CB 3.2Å; D187-E189 PolarHBondContact OD1-N 3.24Å; D187-E189 VanDerWaalsContact OD1-N 3.09Å; E189-K192 PolarHBondContact O-N 3.48Å; E189-K193 HydrophobicContact CG-CD 4.47Å; E189-K193 WeakPolarHBondContact O-CG 3.48Å; E189-K193 PolarHBondContact O-N 3.08Å; E189-K193 WeakPolarHBondContact OE1-CE 3.3Å; E189-K193 IonicContact OE1-NZ 2.78Å; E189-K193 PolarHBondContact OE1-NZ 3.28Å
190	T	92.7	Very high	93.1	Very high	25 Å²	25	85 Å²	85	15%	0.153	42%	0.422	C	S	.	.	H	α-helix	trans	-64.4	-41.1	175.1	-64.6	0	0	0	0	111.5	K179 V180 D187 K193 M194	K179-T190 HydrophobicContact CB-CG2 4.25Å; V180-T190 HydrophobicContact CG2-CG2 3.8Å; D187-T190 VanDerWaalsContact CG-OG1 3.3Å; D187-T190 PolarHBondContact O-N 3.28Å; D187-T190 PolarHBondContact OD1-N 2.97Å; D187-T190 PolarHBondContact OD1-OG1 3.48Å; D187-T190 VanDerWaalsContact OD2-CB 3.25Å; D187-T190 WeakPolarHBondContact OD2-CB 3.27Å; D187-T190 PolarHBondContact OD2-OG1 2.75Å; T190-K193 PolarHBondContact O-N 3.24Å; T190-M194 PolarHBondContact O-N 3.39Å
191	L	94.6	Very high	93.4	Very high	70 Å²	70	84 Å²	84	37%	0.366	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-46.8	173.8	-72	171.3	0	0	0	111.4	V180 P186 D187 K193 M194 E195	V180-L191 HydrophobicContact CG1-CD2 3.75Å; V180-L191 HydrophobicContact CG2-CD2 3.99Å; P186-L191 HydrophobicContact CB-CD1 4.27Å; P186-L191 HydrophobicContact CB-CD2 3.95Å; P186-L191 HydrophobicContact CB-CG 3.87Å; P186-L191 HydrophobicContact CG-CD2 4.42Å; D187-L191 PolarHBondContact O-N 3.18Å; D187-L191 VanDerWaalsContact O-N 3.16Å; L191-K193 PolarHBondContact O-N 3.48Å; L191-M194 WeakPolarHBondContact O-CB 3.44Å; L191-M194 PolarHBondContact O-N 3Å; L191-E195 PolarHBondContact O-N 3.47Å
192	K	95.8	Very high	93.8	Very high	138 Å²	138	83.6 Å²	83.6	60%	0.6	41%	0.412	S	S	*	.	H	α-helix	trans	-60.3	-45.8	177	-174.7	178.9	177.7	-178.7	0	112	P188 E189 M194 E195 D196	P188-K192 WeakPolarHBondContact O-CB 3.45Å; P188-K192 PolarHBondContact O-N 3.35Å; E189-K192 PolarHBondContact O-N 3.48Å; K192-M194 VanDerWaalsContact C-N 3.28Å; K192-M194 PolarHBondContact O-N 2.86Å; K192-E195 PolarHBondContact O-N 2.91Å; K192-D196 WeakPolarHBondContact O-CB 3.48Å; K192-D196 VanDerWaalsContact O-CG 3.28Å; K192-D196 PolarHBondContact O-N 2.8Å
193	K	96	Very high	94.4	Very high	83 Å²	83	84.2 Å²	84.2	36%	0.361	41%	0.412	S	S	.	.	H	α-helix	trans	-60.4	-36.8	176.6	-75	173.1	-176.4	164.7	0	112.6	F176 E189 T190 L191 A197	F176-K193 HydrophobicContact CD1-CB 3.97Å; F176-K193 HydrophobicContact CD2-CB 4.39Å; F176-K193 HydrophobicContact CE1-CB 3.82Å; F176-K193 HydrophobicContact CE1-CD 3.88Å; F176-K193 HydrophobicContact CE1-CG 4.41Å; F176-K193 HydrophobicContact CE2-CB 4.26Å; F176-K193 HydrophobicContact CG-CB 4.27Å; F176-K193 HydrophobicContact CZ-CB 3.98Å; F176-K193 HydrophobicContact CZ-CD 4.16Å; F176-K193 HydrophobicContact CZ-CG 4.46Å; E189-K193 HydrophobicContact CG-CD 4.47Å; E189-K193 WeakPolarHBondContact O-CG 3.48Å; E189-K193 PolarHBondContact O-N 3.08Å; E189-K193 WeakPolarHBondContact OE1-CE 3.3Å; E189-K193 IonicContact OE1-NZ 2.78Å; E189-K193 PolarHBondContact OE1-NZ 3.28Å; T190-K193 PolarHBondContact O-N 3.24Å; L191-K193 PolarHBondContact O-N 3.48Å; K193-A197 VanDerWaalsContact O-CB 3.23Å; K193-A197 WeakPolarHBondContact O-CB 3.44Å; K193-A197 PolarHBondContact O-N 3.08Å
194	M	95.4	Very high	94.9	Very high	22 Å²	22	81.7 Å²	81.7	11%	0.108	40%	0.398	C	S	.	.	H	α-helix	trans	-63.9	-47.5	174.9	-173.7	-171.4	72	0	0	111.4	Y173 F176 R177 V180 T190 L191 K192 A197 K198	Y173-M194 HydrophobicContact CD2-CG 4.29Å; Y173-M194 HydrophobicContact CE2-CG 3.94Å; F176-M194 HydrophobicContact CB-CB 3.84Å; F176-M194 HydrophobicContact CB-CG 4.15Å; R177-M194 HydrophobicContact CB-SD 4.33Å; V180-M194 HydrophobicContact CB-SD 3.95Å; V180-M194 HydrophobicContact CG1-SD 4.19Å; V180-M194 HydrophobicContact CG2-CB 4.27Å; V180-M194 HydrophobicContact CG2-SD 3.75Å; T190-M194 PolarHBondContact O-N 3.39Å; L191-M194 WeakPolarHBondContact O-CB 3.44Å; L191-M194 PolarHBondContact O-N 3Å; K192-M194 VanDerWaalsContact C-N 3.28Å; K192-M194 PolarHBondContact O-N 2.86Å; M194-A197 PolarHBondContact O-N 3.34Å; M194-K198 WeakPolarHBondContact O-CB 3.33Å; M194-K198 PolarHBondContact O-N 2.86Å
195	E	96.7	Very high	95.4	Very high	86 Å²	86	74.3 Å²	74.3	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-68.1	-38.2	179.2	-69.2	-56.1	143.2	0	0	112.8	L191 K192 K198 T199	L191-E195 PolarHBondContact O-N 3.47Å; K192-E195 PolarHBondContact O-N 2.91Å; E195-K198 WeakPolarHBondContact O-CB 3.4Å; E195-K198 PolarHBondContact O-N 2.71Å; E195-T199 WeakPolarHBondContact O-CB 3.45Å; E195-T199 PolarHBondContact O-N 3.44Å; E195-T199 PolarHBondContact O-OG1 3.09Å
196	D	97.6	Very high	95.8	Very high	85 Å²	85	70 Å²	70	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-46.7	173.7	-70.8	-19.7	0	0	0	110.5	K192 K198 T199 V200	K192-D196 WeakPolarHBondContact O-CB 3.48Å; K192-D196 VanDerWaalsContact O-CG 3.28Å; K192-D196 PolarHBondContact O-N 2.8Å; D196-K198 VanDerWaalsContact C-N 3.35Å; D196-K198 PolarHBondContact O-N 2.78Å; D196-T199 PolarHBondContact O-N 2.79Å; D196-V200 WeakPolarHBondContact O-CG2 3.36Å; D196-V200 PolarHBondContact O-N 3.12Å
197	A	97	Very high	96.2	Very high	14 Å²	14	72.8 Å²	72.8	12%	0.116	36%	0.362	C	S	.	.	H	α-helix	trans	-63.3	-39.6	176.9	0	0	0	0	0	112.2	F176 K193 M194 V200 L201	F176-A197 HydrophobicContact CD2-CB 3.88Å; F176-A197 HydrophobicContact CE2-CB 4.36Å; K193-A197 VanDerWaalsContact O-CB 3.23Å; K193-A197 WeakPolarHBondContact O-CB 3.44Å; K193-A197 PolarHBondContact O-N 3.08Å; M194-A197 PolarHBondContact O-N 3.34Å; A197-V200 PolarHBondContact O-N 3.31Å; A197-L201 VanDerWaalsContact O-CB 3.31Å; A197-L201 WeakPolarHBondContact O-CB 3.47Å; A197-L201 PolarHBondContact O-N 3.31Å
198	K	96.8	Very high	96.5	Very high	67 Å²	67	69.8 Å²	69.8	29%	0.291	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-50.6	173.4	-171.4	-177.2	176.9	-173	0	110.6	Y173 M194 E195 D196 V200 L201 Y202	Y173-K198 HydrophobicContact CD2-CB 3.71Å; Y173-K198 HydrophobicContact CD2-CG 4.32Å; Y173-K198 HydrophobicContact CE2-CB 3.59Å; Y173-K198 HydrophobicContact CE2-CD 4.15Å; Y173-K198 HydrophobicContact CE2-CG 3.85Å; M194-K198 WeakPolarHBondContact O-CB 3.33Å; M194-K198 PolarHBondContact O-N 2.86Å; E195-K198 WeakPolarHBondContact O-CB 3.4Å; E195-K198 PolarHBondContact O-N 2.71Å; D196-K198 VanDerWaalsContact C-N 3.35Å; D196-K198 PolarHBondContact O-N 2.78Å; K198-V200 VanDerWaalsContact C-N 3.33Å; K198-V200 PolarHBondContact O-N 2.92Å; K198-L201 WeakPolarHBondContact O-CB 3.35Å; K198-L201 PolarHBondContact O-N 3.3Å; K198-L201 VanDerWaalsContact O-N 3.15Å; K198-Y202 HydrophobicContact CD-CE2 4.41Å; K198-Y202 HydrophobicContact CG-CD2 3.78Å; K198-Y202 HydrophobicContact CG-CE2 3.67Å; K198-Y202 VanDerWaalsContact O-CD2 3.3Å; K198-Y202 WeakPolarHBondContact O-CD2 3.46Å; K198-Y202 PolarHBondContact O-N 3.43Å
199	T	98	Very high	96.7	Very high	93 Å²	93	66.3 Å²	66.3	57%	0.571	32%	0.318	S	S	*	.	H	α-helix	trans	-58.7	-44.5	-179.3	-59	0	0	0	0	111.7	E195 D196 K203	E195-T199 WeakPolarHBondContact O-CB 3.45Å; E195-T199 PolarHBondContact O-N 3.44Å; E195-T199 PolarHBondContact O-OG1 3.09Å; D196-T199 PolarHBondContact O-N 2.79Å; T199-K203 WeakPolarHBondContact O-CB 3.42Å; T199-K203 PolarHBondContact O-N 3.21Å; T199-K203 VanDerWaalsContact O-N 3.11Å
200	V	97.9	Very high	96.9	Very high	61 Å²	61	63.4 Å²	63.4	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-41.7	176.8	175.1	0	0	0	0	111.5	Y169 D196 A197 K198 K203 Q204	Y169-V200 HydrophobicContact CD1-CG1 3.61Å; Y169-V200 HydrophobicContact CD2-CG1 3.95Å; Y169-V200 HydrophobicContact CE1-CG1 3.61Å; Y169-V200 HydrophobicContact CE2-CG1 3.95Å; Y169-V200 HydrophobicContact CG-CG1 3.79Å; D196-V200 WeakPolarHBondContact O-CG2 3.36Å; D196-V200 PolarHBondContact O-N 3.12Å; A197-V200 PolarHBondContact O-N 3.31Å; K198-V200 VanDerWaalsContact C-N 3.33Å; K198-V200 PolarHBondContact O-N 2.92Å; V200-K203 PolarHBondContact O-N 3.02Å; V200-Q204 PolarHBondContact O-N 2.88Å
201	L	97.4	Very high	97.1	Very high	3 Å²	3	66 Å²	66	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-52.3	176.4	171.9	60.2	0	0	0	111.8	T29 L166 R170 Y173 A197 K198 K203 Q204 L205	T29-L201 HydrophobicContact CG2-CD2 4.15Å; L166-L201 HydrophobicContact CD1-CD1 3.66Å; R170-L201 HydrophobicContact CB-CD1 4.05Å; Y173-L201 HydrophobicContact CD1-CD2 3.58Å; Y173-L201 HydrophobicContact CE1-CD2 4.43Å; Y173-L201 HydrophobicContact CG-CD2 3.95Å; A197-L201 VanDerWaalsContact O-CB 3.31Å; A197-L201 WeakPolarHBondContact O-CB 3.47Å; A197-L201 PolarHBondContact O-N 3.31Å; K198-L201 WeakPolarHBondContact O-CB 3.35Å; K198-L201 PolarHBondContact O-N 3.3Å; K198-L201 VanDerWaalsContact O-N 3.15Å; L201-K203 VanDerWaalsContact C-N 3.33Å; L201-K203 PolarHBondContact O-N 3.3Å; L201-Q204 PolarHBondContact O-N 3.42Å; L201-Q204 VanDerWaalsContact O-N 3.15Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 PolarHBondContact O-N 3.41Å
202	Y	97.2	Very high	97.2	Very high	118 Å²	118	62.7 Å²	62.7	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-38.9	-179.2	-83.1	-86.3	0	0	0	112.1	K198 Q204 L205 D206	K198-Y202 HydrophobicContact CD-CE2 4.41Å; K198-Y202 HydrophobicContact CG-CD2 3.78Å; K198-Y202 HydrophobicContact CG-CE2 3.67Å; K198-Y202 VanDerWaalsContact O-CD2 3.3Å; K198-Y202 WeakPolarHBondContact O-CD2 3.46Å; K198-Y202 PolarHBondContact O-N 3.43Å; Y202-Q204 VanDerWaalsContact C-N 3.32Å; Y202-Q204 PolarHBondContact O-N 3.11Å; Y202-L205 HydrophobicContact CD1-CD2 4.38Å; Y202-L205 WeakPolarHBondContact O-CB 3.41Å; Y202-L205 PolarHBondContact O-N 3.15Å; Y202-D206 PolarHBondContact O-N 2.97Å
203	K	98.1	Very high	97.3	Very high	162 Å²	162	59.9 Å²	59.9	70%	0.704	29%	0.29	S	S	*	.	H	α-helix	trans	-60.6	-41.7	173.5	-176.4	177.8	179.4	178	0	112.1	T199 V200 L201 K207	T199-K203 WeakPolarHBondContact O-CB 3.42Å; T199-K203 PolarHBondContact O-N 3.21Å; T199-K203 VanDerWaalsContact O-N 3.11Å; V200-K203 PolarHBondContact O-N 3.02Å; L201-K203 VanDerWaalsContact C-N 3.33Å; L201-K203 PolarHBondContact O-N 3.3Å; K203-K207 PolarHBondContact O-N 2.97Å
204	Q	97.8	Very high	97.3	Very high	16 Å²	16	60 Å²	60	8%	0.075	29%	0.292	C	S	.	.	H	α-helix	trans	-70.1	-36.7	176	-175.3	60.9	30.5	0	0	111.6	E162 H165 L166 Y169 V200 L201 Y202 D206 K207 T208	E162-Q204 PolarHBondContact O-NE2 3.19Å; E162-Q204 VanDerWaalsContact O-NE2 3.12Å; E162-Q204 PolarHBondContact OE2-NE2 3.13Å; H165-Q204 HydrophobicContact CB-CG 4.2Å; L166-Q204 HydrophobicContact CB-CG 3.93Å; L166-Q204 HydrophobicContact CD1-CB 4.28Å; L166-Q204 HydrophobicContact CD1-CG 4.11Å; Y169-Q204 HydrophobicContact CD2-CB 3.7Å; Y169-Q204 HydrophobicContact CD2-CG 3.8Å; Y169-Q204 HydrophobicContact CE2-CB 4.12Å; Y169-Q204 HydrophobicContact CE2-CG 4.11Å; V200-Q204 PolarHBondContact O-N 2.88Å; L201-Q204 PolarHBondContact O-N 3.42Å; L201-Q204 VanDerWaalsContact O-N 3.15Å; Y202-Q204 VanDerWaalsContact C-N 3.32Å; Y202-Q204 PolarHBondContact O-N 3.11Å; Q204-D206 VanDerWaalsContact C-N 3.34Å; Q204-D206 PolarHBondContact O-N 3.43Å; Q204-K207 PolarHBondContact O-N 2.92Å; Q204-T208 PolarHBondContact NE2-OG1 2.81Å; Q204-T208 WeakPolarHBondContact O-CB 3.14Å; Q204-T208 PolarHBondContact O-N 3.37Å; Q204-T208 PolarHBondContact O-OG1 3.28Å; Q204-T208 VanDerWaalsContact O-OG1 3.08Å
205	L	97.6	Very high	97.3	Very high	9 Å²	9	59 Å²	59	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-46.5	176.5	-178.7	63.2	0	0	0	111	F31 F35 L166 L201 Y202 K207 T208 R209	F31-L205 HydrophobicContact CD1-CD1 3.55Å; F31-L205 HydrophobicContact CD1-CD2 4.19Å; F31-L205 HydrophobicContact CE1-CD1 3.83Å; F31-L205 HydrophobicContact CG-CD1 4.23Å; F35-L205 HydrophobicContact CD1-CD1 4.26Å; F35-L205 HydrophobicContact CD2-CD1 3.5Å; F35-L205 VanDerWaalsContact CD2-CD1 3.5Å; F35-L205 HydrophobicContact CE1-CD1 4.28Å; F35-L205 HydrophobicContact CE2-CD1 3.52Å; F35-L205 HydrophobicContact CG-CD1 3.89Å; F35-L205 HydrophobicContact CZ-CD1 3.93Å; L166-L205 HydrophobicContact CD1-CB 3.97Å; L166-L205 HydrophobicContact CD1-CD1 4.21Å; L166-L205 HydrophobicContact CD2-CD1 4.01Å; L201-L205 WeakPolarHBondContact O-CB 3.45Å; L201-L205 PolarHBondContact O-N 3.41Å; Y202-L205 HydrophobicContact CD1-CD2 4.38Å; Y202-L205 WeakPolarHBondContact O-CB 3.41Å; Y202-L205 PolarHBondContact O-N 3.15Å; L205-K207 PolarHBondContact O-N 2.94Å; L205-T208 PolarHBondContact O-N 3.46Å; L205-R209 WeakPolarHBondContact O-CB 3.3Å; L205-R209 PolarHBondContact O-N 2.91Å
206	D	97.6	Very high	97.3	Very high	91 Å²	91	60.2 Å²	60.2	49%	0.487	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-41.3	177.8	-68.4	-23.2	0	0	0	112.2	Y202 Q204 R209 S210	Y202-D206 PolarHBondContact O-N 2.97Å; Q204-D206 VanDerWaalsContact C-N 3.34Å; Q204-D206 PolarHBondContact O-N 3.43Å; D206-R209 PolarHBondContact O-N 3.44Å; D206-R209 IonicContact OD1-NH1 2.76Å; D206-R209 PolarHBondContact OD1-NH1 3.37Å; D206-S210 WeakPolarHBondContact O-CB 3.46Å; D206-S210 PolarHBondContact O-N 2.92Å
207	K	97.5	Very high	97.3	Very high	94 Å²	94	59.8 Å²	59.8	41%	0.409	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-47.4	175.3	-173.5	-175.1	177	-157.5	0	111.5	E162 K203 Q204 L205 S210 R211	E162-K207 VanDerWaalsContact CD-CE 3.42Å; E162-K207 VanDerWaalsContact OE1-CE 3.27Å; E162-K207 WeakPolarHBondContact OE1-CE 3.39Å; E162-K207 IonicContact OE1-NZ 3.38Å; E162-K207 PolarHBondContact OE1-NZ 3.09Å; E162-K207 VanDerWaalsContact OE2-CE 3.3Å; E162-K207 WeakPolarHBondContact OE2-CE 3.38Å; E162-K207 IonicContact OE2-NZ 3.72Å; E162-K207 PolarHBondContact OE2-NZ 3.03Å; K203-K207 PolarHBondContact O-N 2.97Å; Q204-K207 PolarHBondContact O-N 2.92Å; L205-K207 PolarHBondContact O-N 2.94Å; K207-S210 PolarHBondContact O-N 3.16Å; K207-R211 PolarHBondContact O-N 3.4Å; K207-R211 VanDerWaalsContact O-N 3.12Å
208	T	97.8	Very high	97.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-41.7	177.6	-58.9	0	0	0	0	110.8	F35 E162 L163 L166 Q204 L205 S210 R211 L212	F35-T208 HydrophobicContact CE2-CG2 3.87Å; F35-T208 HydrophobicContact CZ-CG2 3.87Å; E162-T208 PolarHBondContact O-OG1 3.22Å; L163-T208 HydrophobicContact CD2-CG2 3.72Å; L163-T208 HydrophobicContact CG-CG2 4.14Å; L166-T208 HydrophobicContact CD2-CG2 4.06Å; Q204-T208 PolarHBondContact NE2-OG1 2.81Å; Q204-T208 WeakPolarHBondContact O-CB 3.14Å; Q204-T208 PolarHBondContact O-N 3.37Å; Q204-T208 PolarHBondContact O-OG1 3.28Å; Q204-T208 VanDerWaalsContact O-OG1 3.08Å; L205-T208 PolarHBondContact O-N 3.46Å; T208-S210 VanDerWaalsContact C-N 3.33Å; T208-S210 PolarHBondContact O-N 3.15Å; T208-R211 PolarHBondContact O-N 2.86Å; T208-R211 VanDerWaalsContact O-N 3.15Å; T208-L212 HydrophobicContact CG2-CD1 4.15Å; T208-L212 HydrophobicContact CG2-CG 4.35Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 2.89Å
209	R	97.9	Very high	97.3	Very high	38 Å²	38	58.3 Å²	58.3	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-46.2	175.7	-168.9	-177.4	-67.4	108.9	-4.6	111.1	D32 F35 L38 L205 D206 R211 L212 Q213	D32-R209 IonicContact OD1-NH2 2.67Å; D32-R209 IonicContact OD2-CZ 3.15Å; D32-R209 IonicContact OD2-NH2 3.93Å; D32-R209 PolarHBondContact OD2-NH2 2.89Å; F35-R209 HydrophobicContact CD2-CB 4.08Å; F35-R209 HydrophobicContact CD2-CG 4.38Å; F35-R209 HydrophobicContact CE2-CB 4.44Å; L38-R209 HydrophobicContact CD1-CG 3.74Å; L205-R209 WeakPolarHBondContact O-CB 3.3Å; L205-R209 PolarHBondContact O-N 2.91Å; D206-R209 PolarHBondContact O-N 3.44Å; D206-R209 IonicContact OD1-NH1 2.76Å; D206-R209 PolarHBondContact OD1-NH1 3.37Å; R209-R211 VanDerWaalsContact C-N 3.32Å; R209-R211 PolarHBondContact O-N 3.34Å; R209-L212 PolarHBondContact O-N 3.47Å; R209-Q213 WeakPolarHBondContact O-CG 3.48Å; R209-Q213 PolarHBondContact O-N 3.37Å
210	S	97.5	Very high	97.3	Very high	57 Å²	57	58.4 Å²	58.4	40%	0.399	29%	0.285	S	S	.	.	H	α-helix	trans	-59.3	-42.1	176.5	-177.2	0	0	0	0	112.2	D206 K207 T208 Q213 Q214	D206-S210 WeakPolarHBondContact O-CB 3.46Å; D206-S210 PolarHBondContact O-N 2.92Å; K207-S210 PolarHBondContact O-N 3.16Å; T208-S210 VanDerWaalsContact C-N 3.33Å; T208-S210 PolarHBondContact O-N 3.15Å; S210-Q213 PolarHBondContact O-N 3.33Å; S210-Q214 WeakPolarHBondContact O-CG 3.41Å; S210-Q214 PolarHBondContact O-N 3.49Å
211	R	96.1	Very high	97.3	Very high	78 Å²	78	58.1 Å²	58.1	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-43.2	174.8	-70.6	-56	-162.5	166.1	14	112.8	E158 I159 E162 K207 T208 R209 Q213 Q214	E158-R211 IonicContact OE2-CZ 2.59Å; E158-R211 IonicContact OE2-NH1 3.99Å; E158-R211 IonicContact OE2-NH2 3.5Å; E158-R211 PolarHBondContact OE2-NH2 2.96Å; E158-R211 VanDerWaalsContact OE2-NH2 3.15Å; I159-R211 HydrophobicContact CG1-CB 4.37Å; E162-R211 HydrophobicContact CG-CG 4.31Å; K207-R211 PolarHBondContact O-N 3.4Å; K207-R211 VanDerWaalsContact O-N 3.12Å; T208-R211 PolarHBondContact O-N 2.86Å; T208-R211 VanDerWaalsContact O-N 3.15Å; R209-R211 VanDerWaalsContact C-N 3.32Å; R209-R211 PolarHBondContact O-N 3.34Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 3.49Å; R211-Q214 VanDerWaalsContact CD-OE1 3.31Å; R211-Q214 WeakPolarHBondContact O-CB 3.31Å; R211-Q214 PolarHBondContact O-N 2.81Å; R211-Q214 VanDerWaalsContact O-N 3.16Å
212	L	97.7	Very high	97.3	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-36	177.3	-65.4	171.5	0	0	0	111.9	F35 L38 L39 A42 I159 T208 R209 Q214 V215	F35-L212 HydrophobicContact CD2-CD1 4.22Å; F35-L212 HydrophobicContact CE2-CD1 3.67Å; F35-L212 HydrophobicContact CZ-CD1 3.87Å; L38-L212 HydrophobicContact CB-CB 3.94Å; L38-L212 HydrophobicContact CB-CD1 4.29Å; L39-L212 HydrophobicContact CB-CD1 4.07Å; L39-L212 HydrophobicContact CD1-CD2 4.18Å; A42-L212 HydrophobicContact CB-CD2 3.55Å; I159-L212 HydrophobicContact CG2-CD2 3.81Å; T208-L212 HydrophobicContact CG2-CD1 4.15Å; T208-L212 HydrophobicContact CG2-CG 4.35Å; T208-L212 WeakPolarHBondContact O-CG 3.47Å; T208-L212 PolarHBondContact O-N 2.89Å; R209-L212 PolarHBondContact O-N 3.47Å; L212-Q214 VanDerWaalsContact C-N 3.27Å; L212-Q214 PolarHBondContact O-N 2.68Å; L212-V215 WeakPolarHBondContact O-CB 3.36Å; L212-V215 WeakPolarHBondContact O-CG2 3.3Å; L212-V215 PolarHBondContact O-N 3.01Å
213	Q	97.2	Very high	97.3	Very high	79 Å²	79	57.4 Å²	57.4	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-30.3	175	-73.2	172.6	-22.2	0	0	113	L38 R209 S210 R211 V215 K216	L38-Q213 HydrophobicContact CD1-CG 3.75Å; L38-Q213 HydrophobicContact CD2-CG 3.94Å; R209-Q213 WeakPolarHBondContact O-CG 3.48Å; R209-Q213 PolarHBondContact O-N 3.37Å; S210-Q213 PolarHBondContact O-N 3.33Å; R211-Q213 VanDerWaalsContact C-N 3.3Å; R211-Q213 PolarHBondContact O-N 3.49Å; Q213-V215 PolarHBondContact O-N 3.36Å; Q213-K216 WeakPolarHBondContact O-CB 3.49Å; Q213-K216 PolarHBondContact O-N 3.09Å
214	Q	95.9	Very high	97.3	Very high	85 Å²	85	54.5 Å²	54.5	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-64.3	-22.1	176.9	-69.2	169.7	-2.9	0	0	112.6	S210 R211 L212 K216 S217 V218	S210-Q214 WeakPolarHBondContact O-CG 3.41Å; S210-Q214 PolarHBondContact O-N 3.49Å; R211-Q214 VanDerWaalsContact CD-OE1 3.31Å; R211-Q214 WeakPolarHBondContact O-CB 3.31Å; R211-Q214 PolarHBondContact O-N 2.81Å; R211-Q214 VanDerWaalsContact O-N 3.16Å; L212-Q214 VanDerWaalsContact C-N 3.27Å; L212-Q214 PolarHBondContact O-N 2.68Å; Q214-K216 PolarHBondContact O-N 3.41Å; Q214-K216 VanDerWaalsContact O-N 3.09Å; Q214-S217 WeakPolarHBondContact O-CB 3.45Å; Q214-S217 PolarHBondContact O-N 3.42Å; Q214-V218 PolarHBondContact O-N 3.2Å
215	V	97.1	Very high	97.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-20.4	176.4	-176.3	0	0	0	0	112.5	A42 T45 I159 L212 Q213 S217 V218 N219	A42-V215 HydrophobicContact CB-CB 4.45Å; A42-V215 HydrophobicContact CB-CG1 4.46Å; A42-V215 HydrophobicContact CB-CG2 3.86Å; T45-V215 HydrophobicContact CG2-CG1 3.73Å; I159-V215 HydrophobicContact CD1-CG2 3.62Å; L212-V215 WeakPolarHBondContact O-CB 3.36Å; L212-V215 WeakPolarHBondContact O-CG2 3.3Å; L212-V215 PolarHBondContact O-N 3.01Å; Q213-V215 PolarHBondContact O-N 3.36Å; V215-S217 VanDerWaalsContact C-N 3.35Å; V215-S217 PolarHBondContact O-N 2.86Å; V215-V218 HydrophobicContact CG1-CB 4.43Å; V215-V218 WeakPolarHBondContact O-CB 3.23Å; V215-V218 PolarHBondContact O-N 3.13Å; V215-N219 PolarHBondContact O-N 3.11Å; V215-N219 PolarHBondContact O-ND2 3.03Å
216	K	95.5	Very high	97.4	Very high	111 Å²	111	56.9 Å²	56.9	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-43.9	170.4	-65	-177.9	-173.9	-179.3	0	111.8	Q213 Q214 V218 N219 D220	Q213-K216 WeakPolarHBondContact O-CB 3.49Å; Q213-K216 PolarHBondContact O-N 3.09Å; Q214-K216 PolarHBondContact O-N 3.41Å; Q214-K216 VanDerWaalsContact O-N 3.09Å; K216-V218 VanDerWaalsContact C-N 3.3Å; K216-V218 PolarHBondContact O-N 3.41Å; K216-N219 WeakPolarHBondContact O-CB 3.37Å; K216-N219 PolarHBondContact O-N 2.86Å; K216-D220 PolarHBondContact O-N 2.97Å; K216-D220 VanDerWaalsContact O-N 3.09Å
217	S	96.9	Very high	97.4	Very high	75 Å²	75	58 Å²	58	52%	0.524	29%	0.292	S	S	.	.	H	α-helix	trans	-67.7	-31.4	175.9	-174.2	0	0	0	0	112.4	Q214 V215 D220 S221	Q214-S217 WeakPolarHBondContact O-CB 3.45Å; Q214-S217 PolarHBondContact O-N 3.42Å; V215-S217 VanDerWaalsContact C-N 3.35Å; V215-S217 PolarHBondContact O-N 2.86Å; S217-D220 PolarHBondContact O-N 3.35Å; S217-S221 PolarHBondContact O-N 3.06Å; S217-S221 VanDerWaalsContact O-N 3.08Å; S217-S221 PolarHBondContact O-OG 3.05Å
218	V	97	Very high	97.5	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-45.9	171.3	174.1	0	0	0	0	110	T45 F151 E155 Q214 V215 K216 D220 S221 N222	T45-V218 HydrophobicContact CG2-CG1 4.18Å; F151-V218 HydrophobicContact CB-CG1 3.88Å; F151-V218 HydrophobicContact CD1-CG1 3.89Å; F151-V218 HydrophobicContact CD2-CB 4.16Å; F151-V218 HydrophobicContact CD2-CG1 3.4Å; F151-V218 VanDerWaalsContact CD2-CG1 3.4Å; F151-V218 HydrophobicContact CD2-CG2 3.74Å; F151-V218 HydrophobicContact CE1-CG1 4.25Å; F151-V218 HydrophobicContact CE2-CB 4.42Å; F151-V218 HydrophobicContact CE2-CG1 3.87Å; F151-V218 HydrophobicContact CE2-CG2 4.09Å; F151-V218 HydrophobicContact CG-CG1 3.44Å; F151-V218 VanDerWaalsContact CG-CG1 3.44Å; F151-V218 HydrophobicContact CZ-CG1 4.27Å; E155-V218 WeakPolarHBondContact OE2-CG2 3.4Å; Q214-V218 PolarHBondContact O-N 3.2Å; V215-V218 HydrophobicContact CG1-CB 4.43Å; V215-V218 WeakPolarHBondContact O-CB 3.23Å; V215-V218 PolarHBondContact O-N 3.13Å; K216-V218 VanDerWaalsContact C-N 3.3Å; K216-V218 PolarHBondContact O-N 3.41Å; V218-D220 VanDerWaalsContact C-N 3.28Å; V218-D220 PolarHBondContact O-N 3.31Å; V218-S221 CarbonylContact O-C 3.6Å; V218-S221 WeakPolarHBondContact O-CB 3.25Å; V218-S221 PolarHBondContact O-N 2.82Å; V218-S221 VanDerWaalsContact O-N 3.08Å; V218-N222 WeakPolarHBondContact O-CB 3.08Å; V218-N222 PolarHBondContact O-N 2.69Å
219	N	97.8	Very high	97.5	Very high	46 Å²	46	57.3 Å²	57.3	25%	0.246	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-37.5	177.5	-73.8	-34	0	0	0	112.1	T45 V215 K216 N222 M223	T45-N219 WeakPolarHBondContact CG2-OD1 3.5Å; T45-N219 PolarHBondContact OG1-ND2 3.44Å; T45-N219 VanDerWaalsContact OG1-ND2 3.13Å; T45-N219 PolarHBondContact OG1-OD1 3.4Å; V215-N219 PolarHBondContact O-N 3.11Å; V215-N219 PolarHBondContact O-ND2 3.03Å; K216-N219 WeakPolarHBondContact O-CB 3.37Å; K216-N219 PolarHBondContact O-N 2.86Å; N219-N222 PolarHBondContact O-N 3.13Å; N219-M223 WeakPolarHBondContact O-CB 3.46Å; N219-M223 PolarHBondContact O-N 3.25Å
220	D	98.1	Very high	97.5	Very high	94 Å²	94	59.8 Å²	59.8	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-43.3	173.3	-66.6	-33.6	0	0	0	111.7	K216 S217 V218 M223 M224	K216-D220 PolarHBondContact O-N 2.97Å; K216-D220 VanDerWaalsContact O-N 3.09Å; S217-D220 PolarHBondContact O-N 3.35Å; V218-D220 VanDerWaalsContact C-N 3.28Å; V218-D220 PolarHBondContact O-N 3.31Å; D220-M223 PolarHBondContact O-N 3.36Å; D220-M224 WeakPolarHBondContact O-CG 3.35Å; D220-M224 PolarHBondContact O-N 2.87Å
221	S	97.5	Very high	97.5	Very high	55 Å²	55	59.1 Å²	59.1	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-43.5	176.6	-56.5	0	0	0	0	111.6	S217 V218 M223 M224 A225	S217-S221 PolarHBondContact O-N 3.06Å; S217-S221 VanDerWaalsContact O-N 3.08Å; S217-S221 PolarHBondContact O-OG 3.05Å; V218-S221 CarbonylContact O-C 3.6Å; V218-S221 WeakPolarHBondContact O-CB 3.25Å; V218-S221 PolarHBondContact O-N 2.82Å; V218-S221 VanDerWaalsContact O-N 3.08Å; S221-M223 VanDerWaalsContact C-N 3.35Å; S221-M223 PolarHBondContact O-N 3.15Å; S221-M224 PolarHBondContact O-N 2.72Å; S221-A225 PolarHBondContact O-N 3.29Å
222	N	97.5	Very high	97.6	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-40.3	175.2	-73.1	-4.3	0	0	0	111.6	S49 L148 V218 N219 M224 A225 L226	S49-N222 PolarHBondContact OG-ND2 2.53Å; L148-N222 HydrophobicContact CD2-CB 4.46Å; V218-N222 WeakPolarHBondContact O-CB 3.08Å; V218-N222 PolarHBondContact O-N 2.69Å; N219-N222 PolarHBondContact O-N 3.13Å; N222-M224 VanDerWaalsContact C-N 3.32Å; N222-M224 PolarHBondContact O-N 3.08Å; N222-A225 WeakPolarHBondContact O-CB 3.33Å; N222-A225 PolarHBondContact O-N 2.76Å; N222-L226 WeakPolarHBondContact O-CG 3.27Å; N222-L226 PolarHBondContact O-N 2.75Å
223	M	98.2	Very high	97.6	Very high	90 Å²	90	57.9 Å²	57.9	44%	0.443	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-41	174.6	180	-176.8	55	0	0	111.3	N219 D220 S221 L226 K227	N219-M223 WeakPolarHBondContact O-CB 3.46Å; N219-M223 PolarHBondContact O-N 3.25Å; D220-M223 PolarHBondContact O-N 3.36Å; S221-M223 VanDerWaalsContact C-N 3.35Å; S221-M223 PolarHBondContact O-N 3.15Å; M223-L226 PolarHBondContact O-N 3.21Å; M223-K227 WeakPolarHBondContact O-CG 3.28Å; M223-K227 PolarHBondContact O-N 3.34Å; M223-K227 VanDerWaalsContact O-N 3.08Å
224	M	98.2	Very high	97.7	Very high	101 Å²	101	63.3 Å²	63.3	50%	0.498	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-40.7	174.8	-68.5	-59.3	-66.8	0	0	111.8	D220 S221 N222 L226 K227 E228	D220-M224 WeakPolarHBondContact O-CG 3.35Å; D220-M224 PolarHBondContact O-N 2.87Å; S221-M224 PolarHBondContact O-N 2.72Å; N222-M224 VanDerWaalsContact C-N 3.32Å; N222-M224 PolarHBondContact O-N 3.08Å; M224-L226 VanDerWaalsContact C-N 3.29Å; M224-L226 PolarHBondContact O-N 3.49Å; M224-K227 WeakPolarHBondContact O-CB 3.41Å; M224-K227 PolarHBondContact O-N 3.23Å; M224-K227 VanDerWaalsContact O-N 3.14Å; M224-K227 HydrophobicContact SD-CD 3.92Å; M224-E228 WeakPolarHBondContact O-CG 3.47Å; M224-E228 PolarHBondContact O-N 2.94Å
225	A	98	Very high	97.8	Very high	3 Å²	3	63.4 Å²	63.4	3%	0.025	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-38.3	173.1	0	0	0	0	0	112.8	T144 V147 S221 N222 E228 L229	T144-A225 HydrophobicContact CG2-CB 4.24Å; T144-A225 PolarHBondContact OG1-O 3.4Å; V147-A225 HydrophobicContact CB-CB 4.08Å; V147-A225 HydrophobicContact CG1-CB 4.1Å; V147-A225 HydrophobicContact CG2-CB 4.43Å; S221-A225 PolarHBondContact O-N 3.29Å; N222-A225 WeakPolarHBondContact O-CB 3.33Å; N222-A225 PolarHBondContact O-N 2.76Å; A225-E228 PolarHBondContact O-N 3Å; A225-L229 PolarHBondContact O-N 2.91Å
226	L	98.2	Very high	97.8	Very high	71 Å²	71	65 Å²	65	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-69.6	-35.2	174.8	-68.7	176.6	0	0	0	112.8	I52 N222 M223 M224 E228 L229 V230	I52-L226 HydrophobicContact CG2-CD2 4.25Å; N222-L226 WeakPolarHBondContact O-CG 3.27Å; N222-L226 PolarHBondContact O-N 2.75Å; M223-L226 PolarHBondContact O-N 3.21Å; M224-L226 VanDerWaalsContact C-N 3.29Å; M224-L226 PolarHBondContact O-N 3.49Å; L226-E228 VanDerWaalsContact C-N 3.33Å; L226-L229 HydrophobicContact CD2-CD2 4.23Å; L226-L229 WeakPolarHBondContact O-CB 3.31Å; L226-L229 PolarHBondContact O-N 3.25Å; L226-V230 WeakPolarHBondContact O-CG2 3.32Å; L226-V230 PolarHBondContact O-N 3.21Å
227	K	98.5	Very high	98	Very high	114 Å²	114	65.3 Å²	65.3	50%	0.496	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-40.9	172.7	-70.3	174.2	-178.3	173.6	0	111.4	M223 M224 L229 V230 A231	M223-K227 WeakPolarHBondContact O-CG 3.28Å; M223-K227 PolarHBondContact O-N 3.34Å; M223-K227 VanDerWaalsContact O-N 3.08Å; M224-K227 WeakPolarHBondContact O-CB 3.41Å; M224-K227 PolarHBondContact O-N 3.23Å; M224-K227 VanDerWaalsContact O-N 3.14Å; M224-K227 HydrophobicContact SD-CD 3.92Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-V230 PolarHBondContact O-N 3Å; K227-A231 WeakPolarHBondContact O-CB 3.45Å; K227-A231 PolarHBondContact O-N 3.47Å
228	E	98.2	Very high	98	Very high	58 Å²	58	65.7 Å²	65.7	27%	0.271	34%	0.337	S	S	.	.	H	α-helix	trans	-66	-36	176	-70.5	-74.9	-171.6	0	0	112.1	K143 M224 A225 L226 V230 A231 A232	K143-E228 HydrophobicContact CB-CB 3.88Å; K143-E228 HydrophobicContact CB-CG 4.14Å; K143-E228 HydrophobicContact CD-CB 4.16Å; K143-E228 HydrophobicContact CD-CG 3.87Å; K143-E228 WeakPolarHBondContact CD-OE2 3.21Å; K143-E228 IonicContact NZ-OE1 2.8Å; K143-E228 PolarHBondContact NZ-OE1 2.85Å; K143-E228 IonicContact NZ-OE2 3.96Å; K143-E228 PolarHBondContact NZ-OE2 3.28Å; M224-E228 WeakPolarHBondContact O-CG 3.47Å; M224-E228 PolarHBondContact O-N 2.94Å; A225-E228 PolarHBondContact O-N 3Å; L226-E228 VanDerWaalsContact C-N 3.33Å; E228-V230 PolarHBondContact O-N 3.44Å; E228-A231 PolarHBondContact O-N 3.33Å; E228-A232 WeakPolarHBondContact O-CB 3.39Å; E228-A232 PolarHBondContact O-N 2.85Å
229	L	98	Very high	98.1	Very high	23 Å²	23	67.4 Å²	67.4	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-56.1	-50.8	171.4	170.9	67.8	0	0	0	111.6	I56 W59 L140 T144 A225 L226 K227 A232 Q233	I56-L229 HydrophobicContact CD1-CD1 4.42Å; I56-L229 HydrophobicContact CD1-CD2 4.02Å; I56-L229 HydrophobicContact CG1-CD2 4.43Å; W59-L229 HydrophobicContact CZ3-CD1 3.88Å; L140-L229 HydrophobicContact CD1-CD1 3.96Å; L140-L229 HydrophobicContact CD2-CB 4.15Å; L140-L229 HydrophobicContact CD2-CD1 3.47Å; L140-L229 VanDerWaalsContact CD2-CD1 3.47Å; L140-L229 HydrophobicContact CD2-CG 4.39Å; L140-L229 HydrophobicContact CG-CD1 4.36Å; T144-L229 HydrophobicContact CG2-CB 4.25Å; A225-L229 PolarHBondContact O-N 2.91Å; L226-L229 HydrophobicContact CD2-CD2 4.23Å; L226-L229 WeakPolarHBondContact O-CB 3.31Å; L226-L229 PolarHBondContact O-N 3.25Å; K227-L229 VanDerWaalsContact C-N 3.34Å; L229-A232 PolarHBondContact O-N 3.3Å; L229-Q233 WeakPolarHBondContact O-CG 3.32Å; L229-Q233 PolarHBondContact O-N 2.89Å
230	V	98.3	Very high	98.1	Very high	89 Å²	89	66 Å²	66	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-39.9	179.1	175.6	0	0	0	0	111.4	L226 K227 E228 Q233 R234	L226-V230 WeakPolarHBondContact O-CG2 3.32Å; L226-V230 PolarHBondContact O-N 3.21Å; K227-V230 PolarHBondContact O-N 3Å; E228-V230 PolarHBondContact O-N 3.44Å; V230-Q233 PolarHBondContact O-N 3.39Å; V230-R234 WeakPolarHBondContact O-CB 3.49Å; V230-R234 PolarHBondContact O-N 2.92Å
231	A	98.4	Very high	98.1	Very high	44 Å²	44	67.7 Å²	67.7	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-42.4	178.3	0	0	0	0	0	112.4	K227 E228 R234 T235	K227-A231 WeakPolarHBondContact O-CB 3.45Å; K227-A231 PolarHBondContact O-N 3.47Å; E228-A231 PolarHBondContact O-N 3.33Å; A231-R234 PolarHBondContact O-N 3.41Å; A231-T235 PolarHBondContact O-N 3.36Å; A231-T235 PolarHBondContact O-OG1 2.97Å
232	A	98	Very high	98.1	Very high	4 Å²	4	69.8 Å²	69.8	3%	0.033	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-43.4	175.4	0	0	0	0	0	111.4	R136 I139 L140 E228 L229 T235 Y236	R136-A232 HydrophobicContact CG-CB 4.38Å; I139-A232 HydrophobicContact CB-CB 4.31Å; I139-A232 HydrophobicContact CG2-CB 3.85Å; L140-A232 HydrophobicContact CD2-CB 3.71Å; L140-A232 HydrophobicContact CG-CB 4.26Å; E228-A232 WeakPolarHBondContact O-CB 3.39Å; E228-A232 PolarHBondContact O-N 2.85Å; L229-A232 PolarHBondContact O-N 3.3Å; A232-T235 PolarHBondContact O-N 3.13Å; A232-Y236 WeakPolarHBondContact O-CB 3.36Å; A232-Y236 PolarHBondContact O-N 3.06Å
233	Q	97.5	Very high	98.1	Very high	50 Å²	50	72.1 Å²	72.1	23%	0.234	35%	0.352	C	S	.	.	H	α-helix	trans	-60.4	-48.1	174.4	-80	178.5	-19.5	0	0	112.2	W59 L229 V230 T235 Y236 F237	W59-Q233 HydrophobicContact CH2-CG 3.58Å; W59-Q233 HydrophobicContact CZ2-CG 4.31Å; W59-Q233 HydrophobicContact CZ3-CG 4.38Å; L229-Q233 WeakPolarHBondContact O-CG 3.32Å; L229-Q233 PolarHBondContact O-N 2.89Å; V230-Q233 PolarHBondContact O-N 3.39Å; Q233-T235 VanDerWaalsContact C-N 3.29Å; Q233-T235 PolarHBondContact O-N 3.09Å; Q233-Y236 PolarHBondContact O-N 3.16Å; Q233-F237 HydrophobicContact CB-CD2 4.18Å; Q233-F237 HydrophobicContact CB-CE2 3.97Å; Q233-F237 HydrophobicContact CG-CE2 4.33Å; Q233-F237 WeakPolarHBondContact O-CD2 3.36Å; Q233-F237 WeakPolarHBondContact O-CG 3.25Å; Q233-F237 PolarHBondContact O-N 3.2Å
234	R	98.6	Very high	98.1	Very high	192 Å²	192	71 Å²	71	73%	0.725	35%	0.35	S	S	*	.	H	α-helix	trans	-56.4	-45.6	177.8	176.3	-179.3	165.5	-173	-4.4	111.5	V230 A231 T238	V230-R234 WeakPolarHBondContact O-CB 3.49Å; V230-R234 PolarHBondContact O-N 2.92Å; A231-R234 PolarHBondContact O-N 3.41Å; R234-T238 WeakPolarHBondContact O-CB 3.41Å; R234-T238 PolarHBondContact O-N 3.45Å; R234-T238 PolarHBondContact O-OG1 3.06Å
235	T	98.4	Very high	98.1	Very high	87 Å²	87	71.5 Å²	71.5	53%	0.534	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-49.6	179.2	-55.1	0	0	0	0	110.6	A231 A232 Q233 T238 E239	A231-T235 PolarHBondContact O-N 3.36Å; A231-T235 PolarHBondContact O-OG1 2.97Å; A232-T235 PolarHBondContact O-N 3.13Å; Q233-T235 VanDerWaalsContact C-N 3.29Å; Q233-T235 PolarHBondContact O-N 3.09Å; T235-T238 PolarHBondContact O-N 3.46Å; T235-E239 PolarHBondContact O-N 2.81Å; T235-E239 VanDerWaalsContact O-N 3.08Å
236	Y	98	Very high	98	Very high	37 Å²	37	75 Å²	75	15%	0.145	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-52.6	176.8	172.2	-108.6	0	0	0	112.5	A132 E133 R136 A232 Q233 T238 E239 C240	A132-Y236 HydrophobicContact CB-CD2 3.97Å; A132-Y236 HydrophobicContact CB-CE2 4.17Å; E133-Y236 HydrophobicContact CB-CE2 3.79Å; R136-Y236 HydrophobicContact CB-CD2 4.38Å; R136-Y236 HydrophobicContact CB-CG 4.38Å; A232-Y236 WeakPolarHBondContact O-CB 3.36Å; A232-Y236 PolarHBondContact O-N 3.06Å; Q233-Y236 PolarHBondContact O-N 3.16Å; Y236-T238 VanDerWaalsContact C-N 3.29Å; Y236-T238 PolarHBondContact O-N 3.19Å; Y236-E239 PolarHBondContact O-N 3.34Å; Y236-C240 WeakPolarHBondContact CE2-SG 3.47Å; Y236-C240 PolarHBondContact O-N 3.23Å; Y236-C240 PolarHBondContact O-SG 3.37Å
237	F	98.2	Very high	98	Very high	117 Å²	117	72.7 Å²	72.7	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-65	-32.9	-178.6	-69	-55	0	0	0	113.2	Q233 K241	Q233-F237 HydrophobicContact CB-CD2 4.18Å; Q233-F237 HydrophobicContact CB-CE2 3.97Å; Q233-F237 HydrophobicContact CG-CE2 4.33Å; Q233-F237 WeakPolarHBondContact O-CD2 3.36Å; Q233-F237 WeakPolarHBondContact O-CG 3.25Å; Q233-F237 PolarHBondContact O-N 3.2Å; F237-K241 WeakPolarHBondContact O-CB 3.29Å; F237-K241 PolarHBondContact O-N 2.97Å
238	T	98.5	Very high	97.9	Very high	82 Å²	82	70.2 Å²	70.2	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-46.1	174.6	-56.4	0	0	0	0	110.5	R234 T235 Y236 K241 Q242	R234-T238 WeakPolarHBondContact O-CB 3.41Å; R234-T238 PolarHBondContact O-N 3.45Å; R234-T238 PolarHBondContact O-OG1 3.06Å; T235-T238 PolarHBondContact O-N 3.46Å; Y236-T238 VanDerWaalsContact C-N 3.29Å; Y236-T238 PolarHBondContact O-N 3.19Å; T238-K241 PolarHBondContact O-N 2.91Å; T238-Q242 PolarHBondContact O-N 3.35Å; T238-Q242 VanDerWaalsContact O-N 3.11Å
239	E	97.9	Very high	97.7	Very high	41 Å²	41	69.2 Å²	69.2	19%	0.192	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-47.5	177.2	-173.2	169.5	-169.9	0	0	111.2	A132 R135 T235 Y236 K241 Q242 R243	A132-E239 HydrophobicContact CB-CG 4.26Å; A132-E239 WeakPolarHBondContact CB-OE2 3.41Å; R135-E239 IonicContact CZ-OE1 3.79Å; R135-E239 IonicContact CZ-OE2 2.92Å; R135-E239 IonicContact NE-OE2 3.98Å; R135-E239 IonicContact NH2-OE1 2.74Å; R135-E239 PolarHBondContact NH2-OE1 3.26Å; R135-E239 IonicContact NH2-OE2 2.79Å; R135-E239 PolarHBondContact NH2-OE2 3.04Å; T235-E239 PolarHBondContact O-N 2.81Å; T235-E239 VanDerWaalsContact O-N 3.08Å; Y236-E239 PolarHBondContact O-N 3.34Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 3.41Å; E239-Q242 PolarHBondContact O-N 3.41Å; E239-Q242 VanDerWaalsContact O-N 3.17Å; E239-R243 HydrophobicContact CG-CG 4.34Å; E239-R243 WeakPolarHBondContact O-CG 3.31Å; E239-R243 PolarHBondContact O-N 3.42Å; E239-R243 IonicContact OE1-NH2 3.98Å
240	C	97.8	Very high	97.5	Very high	17 Å²	17	71.9 Å²	71.9	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-40.1	177.6	-64.5	0	0	0	0	112.6	I129 Y236 T244	I129-C240 HydrophobicContact CD1-CB 3.9Å; Y236-C240 WeakPolarHBondContact CE2-SG 3.47Å; Y236-C240 PolarHBondContact O-N 3.23Å; Y236-C240 PolarHBondContact O-SG 3.37Å; C240-T244 WeakPolarHBondContact O-CB 3.48Å; C240-T244 PolarHBondContact O-N 3.06Å; C240-T244 PolarHBondContact O-OG1 2.62Å
241	K	98.2	Very high	97.3	Very high	130 Å²	130	70.8 Å²	70.8	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-61	-51.5	176.4	179.8	-179.4	172.4	-176.9	0	110.5	F237 T238 E239 R243 T244 E245	F237-K241 WeakPolarHBondContact O-CB 3.29Å; F237-K241 PolarHBondContact O-N 2.97Å; T238-K241 PolarHBondContact O-N 2.91Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 3.41Å; K241-R243 PolarHBondContact O-N 3.08Å; K241-T244 PolarHBondContact O-N 2.97Å; K241-E245 WeakPolarHBondContact CE-OE1 3.45Å; K241-E245 IonicContact NZ-OE1 3.77Å; K241-E245 WeakPolarHBondContact O-CG 3.44Å; K241-E245 PolarHBondContact O-N 3.14Å
242	Q	98	Very high	97.1	Very high	99 Å²	99	76.3 Å²	76.3	46%	0.463	37%	0.374	S	S	.	.	H	α-helix	trans	-57.6	-48.6	179.9	-179	-177.7	-12.3	0	0	111.3	T238 E239 T244 E245 E246	T238-Q242 PolarHBondContact O-N 3.35Å; T238-Q242 VanDerWaalsContact O-N 3.11Å; E239-Q242 PolarHBondContact O-N 3.41Å; E239-Q242 VanDerWaalsContact O-N 3.17Å; Q242-T244 VanDerWaalsContact C-N 3.33Å; Q242-T244 PolarHBondContact O-N 2.69Å; Q242-E245 PolarHBondContact O-N 2.97Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.27Å; Q242-E246 PolarHBondContact NE2-OE1 3.09Å; Q242-E246 WeakPolarHBondContact O-CG 3.3Å; Q242-E246 PolarHBondContact O-N 2.77Å
243	R	97.4	Very high	96.7	Very high	65 Å²	65	85.3 Å²	85.3	25%	0.245	41%	0.407	C	S	.	.	H	α-helix	trans	-64.3	-37.4	180	-61	-47.9	-177.4	137.7	-1.8	112.7	Y125 E128 I129 E239 K241 E246 L247	Y125-R243 HydrophobicContact CD2-CB 3.96Å; Y125-R243 HydrophobicContact CE2-CB 3.82Å; E128-R243 IonicContact OE1-CZ 3.9Å; E128-R243 IonicContact OE1-NH1 2.92Å; E128-R243 PolarHBondContact OE1-NH1 3.43Å; E128-R243 WeakPolarHBondContact OE2-CD 3.45Å; E128-R243 IonicContact OE2-CZ 3.41Å; E128-R243 IonicContact OE2-NE 3.58Å; E128-R243 IonicContact OE2-NH1 2.75Å; E128-R243 PolarHBondContact OE2-NH1 3.36Å; I129-R243 HydrophobicContact CD1-CB 4.3Å; E239-R243 HydrophobicContact CG-CG 4.34Å; E239-R243 WeakPolarHBondContact O-CG 3.31Å; E239-R243 PolarHBondContact O-N 3.42Å; E239-R243 IonicContact OE1-NH2 3.98Å; K241-R243 PolarHBondContact O-N 3.08Å; R243-E246 PolarHBondContact O-N 3.35Å; R243-L247 WeakPolarHBondContact O-CB 3.43Å; R243-L247 PolarHBondContact O-N 3.27Å
244	T	97.7	Very high	96.2	Very high	66 Å²	66	85.5 Å²	85.5	41%	0.405	41%	0.41	S	S	.	.	H	α-helix	trans	-64.8	-42.9	176.3	-54.7	0	0	0	0	111.2	Y125 C240 K241 Q242 L247 S248	Y125-T244 PolarHBondContact OH-OG1 2.83Å; Y125-T244 VanDerWaalsContact OH-OG1 3.04Å; C240-T244 WeakPolarHBondContact O-CB 3.48Å; C240-T244 PolarHBondContact O-N 3.06Å; C240-T244 PolarHBondContact O-OG1 2.62Å; K241-T244 PolarHBondContact O-N 2.97Å; Q242-T244 VanDerWaalsContact C-N 3.33Å; Q242-T244 PolarHBondContact O-N 2.69Å; T244-L247 PolarHBondContact O-N 3.26Å; T244-S248 WeakPolarHBondContact O-CB 3.28Å; T244-S248 PolarHBondContact O-N 2.79Å
245	E	98	Very high	94.8	Very high	113 Å²	113	88.6 Å²	88.6	53%	0.528	43%	0.428	S	S	.	.	H	α-helix	trans	-64.6	-42.7	177.7	-72.6	173.3	168.5	0	0	111.3	K241 Q242 S248 A249	K241-E245 WeakPolarHBondContact CE-OE1 3.45Å; K241-E245 IonicContact NZ-OE1 3.77Å; K241-E245 WeakPolarHBondContact O-CG 3.44Å; K241-E245 PolarHBondContact O-N 3.14Å; Q242-E245 PolarHBondContact O-N 2.97Å; E245-S248 PolarHBondContact O-N 3.18Å; E245-A249 PolarHBondContact O-N 3.33Å; E245-A249 VanDerWaalsContact O-N 3.1Å
246	E	96.6	Very high	94.6	Very high	76 Å²	76	88.7 Å²	88.7	36%	0.355	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.1	-72.8	169.9	-172.9	0	0	111.9	Q242 R243 A249 Q250	Q242-E246 WeakPolarHBondContact CG-OE1 3.27Å; Q242-E246 PolarHBondContact NE2-OE1 3.09Å; Q242-E246 WeakPolarHBondContact O-CG 3.3Å; Q242-E246 PolarHBondContact O-N 2.77Å; R243-E246 PolarHBondContact O-N 3.35Å; E246-A249 PolarHBondContact O-N 3.12Å; E246-Q250 VanDerWaalsContact O-CG 3.31Å; E246-Q250 WeakPolarHBondContact O-CG 3.42Å; E246-Q250 PolarHBondContact O-N 3.49Å; E246-Q250 VanDerWaalsContact O-N 3.13Å
247	L	97.3	Very high	94.4	Very high	23 Å²	23	91.4 Å²	91.4	12%	0.12	44%	0.437	C	S	.	.	H	α-helix	trans	-63.3	-45.3	176.5	177.5	65.2	0	0	0	111.4	Q121 Y125 R243 T244 A249 Q250 M251	Q121-L247 HydrophobicContact CB-CD1 3.85Å; Y125-L247 HydrophobicContact CD1-CD2 3.58Å; Y125-L247 HydrophobicContact CD2-CB 4.08Å; Y125-L247 HydrophobicContact CD2-CD2 3.98Å; Y125-L247 HydrophobicContact CE1-CD2 4.17Å; Y125-L247 HydrophobicContact CG-CB 4.33Å; Y125-L247 HydrophobicContact CG-CD2 3.48Å; Y125-L247 VanDerWaalsContact CG-CD2 3.48Å; Y125-L247 HydrophobicContact CG-CG 4.39Å; R243-L247 WeakPolarHBondContact O-CB 3.43Å; R243-L247 PolarHBondContact O-N 3.27Å; T244-L247 PolarHBondContact O-N 3.26Å; L247-A249 VanDerWaalsContact C-N 3.28Å; L247-A249 PolarHBondContact O-N 2.63Å; L247-Q250 WeakPolarHBondContact O-CB 3.27Å; L247-Q250 PolarHBondContact O-N 3.32Å; L247-M251 HydrophobicContact CD1-CG 3.9Å; L247-M251 HydrophobicContact CD1-SD 4.32Å; L247-M251 HydrophobicContact CG-CG 4.04Å; L247-M251 VanDerWaalsContact O-CG 3.29Å; L247-M251 WeakPolarHBondContact O-CG 3.29Å; L247-M251 PolarHBondContact O-N 3.3Å
248	S	96.3	Very high	94.2	Very high	62 Å²	62	89.9 Å²	89.9	43%	0.434	43%	0.433	S	S	.	.	H	α-helix	trans	-56.1	-45.5	179.7	-167.8	0	0	0	0	111.2	T244 E245 Q250 M251 E252	T244-S248 WeakPolarHBondContact O-CB 3.28Å; T244-S248 PolarHBondContact O-N 2.79Å; E245-S248 PolarHBondContact O-N 3.18Å; S248-Q250 VanDerWaalsContact C-N 3.32Å; S248-Q250 PolarHBondContact O-N 3.35Å; S248-M251 PolarHBondContact O-N 3.43Å; S248-E252 WeakPolarHBondContact O-CG 3.25Å; S248-E252 PolarHBondContact O-N 3.02Å; S248-E252 VanDerWaalsContact O-N 3.09Å
249	A	95.8	Very high	94	Very high	37 Å²	37	90.4 Å²	90.4	31%	0.306	43%	0.429	S	S	.	.	H	α-helix	trans	-67	-30.2	177.7	0	0	0	0	0	113.5	E245 E246 L247 R253	E245-A249 PolarHBondContact O-N 3.33Å; E245-A249 VanDerWaalsContact O-N 3.1Å; E246-A249 PolarHBondContact O-N 3.12Å; L247-A249 VanDerWaalsContact C-N 3.28Å; L247-A249 PolarHBondContact O-N 2.63Å; A249-R253 WeakPolarHBondContact O-CG 3.28Å; A249-R253 PolarHBondContact O-NE 3.21Å
250	Q	93.1	Very high	93.7	Very high	78 Å²	78	93.5 Å²	93.5	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-71.7	-43.5	173.6	-69.9	173.1	35.3	0	0	111.4	E246 L247 S248 E252 R253	E246-Q250 VanDerWaalsContact O-CG 3.31Å; E246-Q250 WeakPolarHBondContact O-CG 3.42Å; E246-Q250 PolarHBondContact O-N 3.49Å; E246-Q250 VanDerWaalsContact O-N 3.13Å; L247-Q250 WeakPolarHBondContact O-CB 3.27Å; L247-Q250 PolarHBondContact O-N 3.32Å; S248-Q250 VanDerWaalsContact C-N 3.32Å; S248-Q250 PolarHBondContact O-N 3.35Å; Q250-E252 VanDerWaalsContact C-N 3.35Å; Q250-E252 PolarHBondContact O-N 3.3Å; Q250-R253 WeakPolarHBondContact O-CB 3.23Å; Q250-R253 PolarHBondContact O-N 3.47Å; Q250-R253 VanDerWaalsContact O-N 3.1Å
251	M	94	Very high	93.4	Very high	67 Å²	67	98.6 Å²	98.6	33%	0.33	47%	0.466	S	S	.	.	H	α-helix	trans	-63	-38.4	-180	-70.6	-64.8	-57.8	0	0	112.4	A118 L247 S248 R253 L254	A118-M251 HydrophobicContact CB-CE 3.76Å; A118-M251 HydrophobicContact CB-SD 4.07Å; L247-M251 HydrophobicContact CD1-CG 3.9Å; L247-M251 HydrophobicContact CD1-SD 4.32Å; L247-M251 HydrophobicContact CG-CG 4.04Å; L247-M251 VanDerWaalsContact O-CG 3.29Å; L247-M251 WeakPolarHBondContact O-CG 3.29Å; L247-M251 PolarHBondContact O-N 3.3Å; S248-M251 PolarHBondContact O-N 3.43Å; M251-R253 PolarHBondContact O-N 3.13Å; M251-R253 VanDerWaalsContact O-N 3.17Å; M251-L254 HydrophobicContact CE-CD1 4.38Å; M251-L254 PolarHBondContact O-N 3.24Å; M251-L254 VanDerWaalsContact O-N 3.16Å; M251-L254 HydrophobicContact SD-CD1 3.87Å
252	E	93.2	Very high	93.1	Very high	160 Å²	160	96.4 Å²	96.4	75%	0.748	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.8	175.4	-75.5	175.8	-177.6	0	0	114	S248 Q250	S248-E252 WeakPolarHBondContact O-CG 3.25Å; S248-E252 PolarHBondContact O-N 3.02Å; S248-E252 VanDerWaalsContact O-N 3.09Å; Q250-E252 VanDerWaalsContact C-N 3.35Å; Q250-E252 PolarHBondContact O-N 3.3Å
253	R	90.8	Very high	92.7	Very high	193 Å²	193	96.2 Å²	96.2	73%	0.728	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.6	179.8	-62.3	170.3	-170.9	176.3	2.7	112.8	A249 Q250 M251 K255	A249-R253 WeakPolarHBondContact O-CG 3.28Å; A249-R253 PolarHBondContact O-NE 3.21Å; Q250-R253 WeakPolarHBondContact O-CB 3.23Å; Q250-R253 PolarHBondContact O-N 3.47Å; Q250-R253 VanDerWaalsContact O-N 3.1Å; M251-R253 PolarHBondContact O-N 3.13Å; M251-R253 VanDerWaalsContact O-N 3.17Å; R253-K255 PolarHBondContact O-N 3.07Å
254	L	86.2	Confident	92.3	Very high	54 Å²	54	98.8 Å²	98.8	28%	0.283	48%	0.476	S	S	.	.			trans	-75.9	121	177.2	-62.8	177.6	0	0	0	108.7	A117 A118 M251	A117-L254 HydrophobicContact CB-CD2 4.06Å; A118-L254 HydrophobicContact CB-CD1 3.69Å; M251-L254 HydrophobicContact CE-CD1 4.38Å; M251-L254 PolarHBondContact O-N 3.24Å; M251-L254 VanDerWaalsContact O-N 3.16Å; M251-L254 HydrophobicContact SD-CD1 3.87Å
255	K	69.2	Low	91.9	Very high	256 Å²	256	101.7 Å²	101.7	100%	1.113	48%	0.483	S	S	*	.			trans	-95	0	179.8	-70.1	-174.7	179.1	-179.2	0	111.7	A114 R253	A114-K255 WeakPolarHBondContact CB-O 3.41Å; R253-K255 PolarHBondContact O-N 3.07Å

Retrieved 255 of 255 residues in 475.5 ms (Link to these results)

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