A0A5K4F222_SCHMA Loading...

Protein-serine O-palmitoleoyltransferase porcupine

AlphaFold DB , UniProt , Accession A0A5K4F222, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	40.1	Very low	173 Å²	173	81.8 Å²	81.8	85%	0.852	41%	0.412	S	S	*	.				0	-49.4	0	-132.5	161.5	63.1	0	0	108.2	E3 Q4	M1-E3 PolarHBondContact O-N 2.72Å; M1-Q4 PolarHBondContact O-N 2.73Å
2	D	36.9	Very low	39.6	Very low	122 Å²	122	88.3 Å²	88.3	65%	0.652	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-34	-178.1	-51.4	-12	0	0	0	116.1
3	E	34.4	Very low	39.4	Very low	173 Å²	173	89.4 Å²	89.4	81%	0.808	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-20.8	178.9	-73.8	178.1	167.8	0	0	114.2	M1	M1-E3 PolarHBondContact O-N 2.72Å
4	Q	37.7	Very low	39.2	Very low	94 Å²	94	87.7 Å²	87.7	44%	0.439	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-26.4	-176.5	-74	176.3	6.3	0	0	112.2	M1 E6 Y453 E457 K461	M1-Q4 PolarHBondContact O-N 2.73Å; Q4-E6 PolarHBondContact O-N 2.71Å; Q4-Y453 PolarHBondContact O-OH 2.73Å; Q4-E457 WeakPolarHBondContact CB-OE1 3.28Å; Q4-K461 VanDerWaalsContact CD-CE 3.47Å
5	E	39	Very low	38.9	Very low	41 Å²	41	86.6 Å²	86.6	19%	0.192	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.4	173.4	-66.8	178.2	-169	0	0	112.5	H417	E5-H417 IonicContact OE2-CD2 3.6Å; E5-H417 PolarHBondContact OE2-CD2 3.2Å; E5-H417 VanDerWaalsContact OE2-CD2 3.25Å; E5-H417 IonicContact OE2-CG 3.55Å
6	E	36.3	Very low	38.3	Very low	91 Å²	91	87.8 Å²	87.8	43%	0.425	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-31.8	-174.1	-136.1	173.2	180	0	0	113.4	Q4 M10 R413	Q4-E6 PolarHBondContact O-N 2.71Å; E6-M10 VanDerWaalsContact O-CB 3.22Å; E6-M10 WeakPolarHBondContact O-CB 3.45Å; E6-M10 WeakPolarHBondContact O-CG 3.46Å; E6-R413 IonicContact OE1-CZ 3.45Å; E6-R413 IonicContact OE1-NH1 3.79Å; E6-R413 IonicContact OE1-NH2 3.25Å; E6-R413 PolarHBondContact OE1-NH2 2.84Å
7	S	45	Very low	37.9	Very low	74 Å²	74	85.5 Å²	85.5	52%	0.517	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.7	-175.6	87.8	0	0	0	0	114.5	Y9 Y453	S7-Y9 VanDerWaalsContact C-N 3.29Å; S7-Y9 PolarHBondContact O-N 2.85Å; S7-Y453 PolarHBondContact OG-OH 2.68Å
8	W	47.7	Very low	37.7	Very low	14 Å²	14	82.4 Å²	82.4	5%	0.053	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.3	-171.3	179	52.5	0	0	0	114.1	Y409 V421 Y450 Y453	W8-Y409 HydrophobicContact CZ3-CE2 4.05Å; W8-V421 HydrophobicContact CE3-CG2 4.31Å; W8-V421 HydrophobicContact CH2-CB 4.12Å; W8-V421 HydrophobicContact CH2-CG1 3.81Å; W8-V421 HydrophobicContact CH2-CG2 3.18Å; W8-V421 HydrophobicContact CZ2-CG2 4.48Å; W8-V421 HydrophobicContact CZ3-CB 4.39Å; W8-V421 HydrophobicContact CZ3-CG2 3.08Å; W8-Y450 HydrophobicContact CH2-CD2 4.42Å; W8-Y450 HydrophobicContact CZ2-CD2 4.33Å; W8-Y453 HydrophobicContact CB-CD1 3.99Å; W8-Y453 HydrophobicContact CB-CD2 4.02Å; W8-Y453 HydrophobicContact CB-CE1 3.64Å; W8-Y453 HydrophobicContact CB-CE2 3.63Å; W8-Y453 HydrophobicContact CB-CG 4.21Å; W8-Y453 VanDerWaalsContact CB-CZ 3.45Å; W8-Y453 AromaticContact CD1-CD1 3.77Å; W8-Y453 AromaticContact CD1-CD2 3.3Å; W8-Y453 AromaticContact CD1-CE2 3.84Å; W8-Y453 AromaticContact CD1-CG 3.27Å; W8-Y453 AromaticContact CG-CD1 3.85Å; W8-Y453 HydrophobicContact CG-CD1 3.85Å; W8-Y453 AromaticContact CG-CD2 3.92Å; W8-Y453 HydrophobicContact CG-CD2 3.92Å; W8-Y453 HydrophobicContact CG-CE1 4.04Å; W8-Y453 HydrophobicContact CG-CE2 4.05Å; W8-Y453 AromaticContact CG-CG 3.83Å; W8-Y453 HydrophobicContact CG-CG 3.83Å; W8-Y453 AromaticContact NE1-CG 3.96Å
9	Y	46.1	Very low	37.4	Very low	13 Å²	13	84.3 Å²	84.3	5%	0.051	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-3.1	-176.9	-111.5	-107.3	0	0	0	113.8	S7 K405 Y409	S7-Y9 VanDerWaalsContact C-N 3.29Å; S7-Y9 PolarHBondContact O-N 2.85Å; Y9-K405 HydrophobicContact CD1-CG 4.37Å; Y9-K405 WeakPolarHBondContact O-CD 3.46Å; Y9-K405 WeakPolarHBondContact O-CE 3.35Å; Y9-K405 PolarHBondContact O-NZ 3.43Å; Y9-Y409 AromaticContact CD1-CD1 3.57Å; Y9-Y409 HydrophobicContact CD1-CD1 3.57Å; Y9-Y409 AromaticContact CD1-CD2 3.47Å; Y9-Y409 HydrophobicContact CD1-CD2 3.47Å; Y9-Y409 VanDerWaalsContact CD1-CD2 3.47Å; Y9-Y409 AromaticContact CD1-CE1 3.82Å; Y9-Y409 HydrophobicContact CD1-CE1 3.82Å; Y9-Y409 AromaticContact CD1-CE2 3.72Å; Y9-Y409 HydrophobicContact CD1-CE2 3.72Å; Y9-Y409 AromaticContact CD1-CG 3.39Å; Y9-Y409 HydrophobicContact CD1-CG 3.39Å; Y9-Y409 AromaticContact CD1-CZ 3.89Å; Y9-Y409 HydrophobicContact CD2-CE2 4.1Å; Y9-Y409 HydrophobicContact CE1-CD1 4.32Å; Y9-Y409 AromaticContact CE1-CD2 3.52Å; Y9-Y409 HydrophobicContact CE1-CD2 3.52Å; Y9-Y409 HydrophobicContact CE1-CE2 4.06Å; Y9-Y409 AromaticContact CE1-CG 3.67Å; Y9-Y409 HydrophobicContact CE1-CG 3.67Å; Y9-Y409 HydrophobicContact CE2-CE2 4.4Å; Y9-Y409 HydrophobicContact CG-CD1 4.11Å; Y9-Y409 AromaticContact CG-CD2 3.98Å; Y9-Y409 HydrophobicContact CG-CD2 3.98Å; Y9-Y409 AromaticContact CG-CE1 3.86Å; Y9-Y409 HydrophobicContact CG-CE1 3.86Å; Y9-Y409 AromaticContact CG-CE2 3.71Å; Y9-Y409 HydrophobicContact CG-CE2 3.71Å; Y9-Y409 HydrophobicContact CG-CG 4.17Å; Y9-Y409 AromaticContact CG-CZ 3.64Å
10	M	37	Very low	37.1	Very low	51 Å²	51	88.1 Å²	88.1	25%	0.251	43%	0.432	S	S	.	.			trans	-104.9	85.5	-176.4	-61.4	-69.4	-74	0	0	111	E6 E12	E6-M10 VanDerWaalsContact O-CB 3.22Å; E6-M10 WeakPolarHBondContact O-CB 3.45Å; E6-M10 WeakPolarHBondContact O-CG 3.46Å; M10-E12 VanDerWaalsContact C-N 3.28Å; M10-E12 PolarHBondContact O-N 3.27Å
11	D	44.6	Very low	37.1	Very low	54 Å²	54	89 Å²	89	29%	0.289	44%	0.443	S	S	.	.			trans	-51.8	84.9	158.9	-46.8	-28.9	0	0	0	112	E14 K405	D11-E14 HydrophobicContact CB-CB 4.15Å; D11-E14 HydrophobicContact CB-CG 3.9Å; D11-K405 IonicContact OD1-NZ 2.87Å; D11-K405 IonicContact OD2-NZ 2.63Å; D11-K405 PolarHBondContact OD2-NZ 3.49Å
12	E	34.3	Very low	36.9	Very low	160 Å²	160	86.6 Å²	86.6	75%	0.748	43%	0.433	S	S	*	.	S	Bend	trans	-89.9	-15.4	150.6	-70.5	-171.5	169.5	0	0	110.9	M10	M10-E12 VanDerWaalsContact C-N 3.28Å; M10-E12 PolarHBondContact O-N 3.27Å
13	D	37.1	Very low	36.7	Very low	102 Å²	102	89 Å²	89	55%	0.545	44%	0.441	S	S	.	.			trans	-105.3	8.7	-173.8	-54.1	-31.4	0	0	0	114.7	E15 E16	D13-E15 PolarHBondContact O-N 2.72Å; D13-E15 VanDerWaalsContact O-N 3.1Å; D13-E16 PolarHBondContact O-N 3.05Å
14	E	36.8	Very low	36.5	Very low	66 Å²	66	89.5 Å²	89.5	31%	0.308	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.3	169.3	-96.8	-170.7	170.8	0	0	112	D11 F18	D11-E14 HydrophobicContact CB-CB 4.15Å; D11-E14 HydrophobicContact CB-CG 3.9Å; E14-F18 HydrophobicContact CG-CE2 4.5Å; E14-F18 WeakPolarHBondContact O-CD2 3.43Å
15	E	34.1	Very low	36	Very low	71 Å²	71	92.9 Å²	92.9	33%	0.332	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.1	175.6	-67.7	-171.4	177	0	0	113	D13 S353 Q355	D13-E15 PolarHBondContact O-N 2.72Å; D13-E15 VanDerWaalsContact O-N 3.1Å; E15-S353 VanDerWaalsContact CD-O 3.28Å; E15-S353 PolarHBondContact OE1-OG 2.76Å; E15-Q355 WeakPolarHBondContact OE2-CG 3.43Å
16	E	29.5	Very low	35.5	Very low	106 Å²	106	93.9 Å²	93.9	50%	0.495	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-32	-178	-75.9	-176.2	169	0	0	113.4	D13 F18 E19	D13-E16 PolarHBondContact O-N 3.05Å; E16-F18 PolarHBondContact O-N 3.4Å; E16-E19 PolarHBondContact O-N 2.84Å
17	L	32	Very low	35	Very low	49 Å²	49	97.6 Å²	97.6	26%	0.257	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	5.7	-174.2	-125.3	150.9	0	0	0	115
18	F	34.8	Very low	34.3	Very low	29 Å²	29	99.4 Å²	99.4	13%	0.127	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-1.4	175.5	-72.3	-102.6	0	0	0	113.1	E14 E16 R379	E14-F18 HydrophobicContact CG-CE2 4.5Å; E14-F18 WeakPolarHBondContact O-CD2 3.43Å; E16-F18 PolarHBondContact O-N 3.4Å; F18-R379 VanDerWaalsContact CZ-NH2 3.28Å
19	E	31.8	Very low	33.2	Very low	119 Å²	119	106.6 Å²	106.6	56%	0.556	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-29.3	174.5	-72.6	-168.8	152.1	0	0	112.2	E16 V21	E16-E19 PolarHBondContact O-N 2.84Å; E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 3.19Å; E19-V21 VanDerWaalsContact O-N 3.12Å
20	E	31.8	Very low	32.4	Very low	159 Å²	159	113.8 Å²	113.8	74%	0.743	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-10.4	-176	-73.5	-174.3	158.2	0	0	116
21	V	35.6	Very low	31.9	Very low	108 Å²	108	117 Å²	117	66%	0.655	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-10.7	-175.1	-174.8	0	0	0	0	113.3	E19	E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 3.19Å; E19-V21 VanDerWaalsContact O-N 3.12Å
22	D	32	Very low	31.3	Very low	122 Å²	122	117.5 Å²	117.5	65%	0.652	64%	0.644	S	S	*	*	S	Bend	trans	-99.9	2.8	-178.8	-73.5	-38	0	0	0	113.5	K373	D22-K373 IonicContact OD2-NZ 2.66Å
23	E	32.3	Very low	31	Very low	173 Å²	173	117.4 Å²	117.4	81%	0.808	65%	0.649	S	S	*	*	S	Bend	trans	-100.2	-6.4	179.3	-69.6	-160.6	158.2	0	0	116.2	N25	E23-N25 VanDerWaalsContact C-N 3.26Å; E23-N25 PolarHBondContact O-N 3.04Å; E23-N25 VanDerWaalsContact O-N 3.12Å
24	E	30.9	Very low	30.6	Very low	183 Å²	183	123.9 Å²	123.9	86%	0.855	67%	0.667	S	S	*	*			trans	-85.1	30.6	179.3	-84.9	-169	160.3	0	0	115.2
25	N	27.5	Very low	30.3	Very low	166 Å²	166	128.2 Å²	128.2	89%	0.888	69%	0.692	S	S	*	*			trans	-125.1	76.7	167.4	-76.5	-58.3	0	0	0	110.4	E23	E23-N25 VanDerWaalsContact C-N 3.26Å; E23-N25 PolarHBondContact O-N 3.04Å; E23-N25 VanDerWaalsContact O-N 3.12Å
26	G	28.4	Very low	30.3	Very low	61 Å²	61	131.8 Å²	131.8	63%	0.629	71%	0.713	S	S	*	*	S	Bend	trans	-171.2	95.6	174.8	0	0	0	0	0	112
27	D	25.6	Very low	30.7	Very low	169 Å²	169	133.7 Å²	133.7	90%	0.904	73%	0.727	S	S	*	*			trans	32	102.2	147.1	-56.3	-23	0	0	0	118.2
28	S	29.7	Very low	30.7	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	76%	0.758	S	S	*	*			trans	-146.4	100.2	143.1	46.7	0	0	0	0	111.2	L30	S28-L30 PolarHBondContact O-N 3.21Å
29	D	25.2	Very low	30.8	Very low	165 Å²	165	146.4 Å²	146.4	88%	0.882	79%	0.79	S	S	*	*			trans	-57	119.4	156.8	-74.4	-42.8	0	0	0	109.3
30	L	30.3	Very low	30.8	Very low	165 Å²	165	146.7 Å²	146.7	86%	0.864	80%	0.8	S	S	*	*			trans	-141.8	85.7	156	-112.2	122.8	0	0	0	109.9	S28	S28-L30 PolarHBondContact O-N 3.21Å
31	S	25.7	Very low	31.1	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	81%	0.807	S	S	*	*			trans	-56.6	123.8	152.7	56.6	0	0	0	0	109.7
32	G	31.2	Very low	31.1	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	82%	0.815	S	S	*	*			trans	-147.6	95.9	173.6	0	0	0	0	0	109.9	Y34	G32-Y34 PolarHBondContact O-N 3.2Å
33	N	29	Very low	31.3	Very low	157 Å²	157	152.9 Å²	152.9	84%	0.84	83%	0.828	S	S	*	*			trans	-51	126.2	175	-72.1	-24.7	0	0	0	112.3
34	Y	29.4	Very low	31.5	Very low	239 Å²	239	152 Å²	152	94%	0.937	83%	0.829	S	S	*	*			trans	-140.2	82.7	150.7	-92.2	-83.2	0	0	0	107.9	G32	G32-Y34 PolarHBondContact O-N 3.2Å
35	L	28.8	Very low	31.8	Very low	157 Å²	157	151.6 Å²	151.6	82%	0.822	83%	0.832	S	S	*	*			trans	-136	105.7	164	-108.7	162.4	0	0	0	104.5
36	D	34	Very low	32.5	Very low	145 Å²	145	146.5 Å²	146.5	78%	0.775	82%	0.818	S	S	*	*			trans	165.2	148.2	141.1	-83.5	-18.6	0	0	0	109.2
37	D	38.1	Very low	33.4	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	82%	0.822	S	S	*	*			trans	87.2	87.3	171.9	-50.2	-24.3	0	0	0	116.9
38	L	33.5	Very low	34.3	Very low	173 Å²	173	150.5 Å²	150.5	91%	0.906	82%	0.817	S	S	*	*				-166.7	119.3	99.9	-119.2	91.2	0	0	0	111.9
39	E	36.9	Very low	35.1	Very low	172 Å²	172	153.2 Å²	153.2	80%	0.804	82%	0.817	S	S	*	*			trans	-64.5	151.2	170.5	-82.3	174.6	143.5	0	0	113.7
40	T	31.3	Very low	36.3	Very low	124 Å²	124	151.3 Å²	151.3	76%	0.761	81%	0.807	S	S	*	*			trans	66.5	95.4	146.6	56	0	0	0	0	119
41	V	37.7	Very low	37.4	Very low	149 Å²	149	147.5 Å²	147.5	90%	0.903	79%	0.791	S	S	*	*			trans	-138.6	107.2	133.6	-179.6	0	0	0	0	107.2
42	E	35.2	Very low	38.8	Very low	174 Å²	174	145.2 Å²	145.2	81%	0.813	78%	0.775	S	S	*	*			trans	-66.7	146.6	162.3	-66.3	176.2	152.1	0	0	108.9
43	E	35.7	Very low	39.8	Very low	197 Å²	197	148.3 Å²	148.3	92%	0.921	77%	0.77	S	S	*	*			trans	135.5	123.6	152.3	-71.8	176.4	175.9	0	0	113.9
44	D	38.1	Very low	41.1	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	76%	0.762	S	S	*	*			trans	100.7	56.5	160.1	-132.1	18.5	0	0	0	119.5	G46	D44-G46 PolarHBondContact O-N 3.48Å
45	D	37.2	Very low	42.5	Very low	174 Å²	174	140.6 Å²	140.6	93%	0.93	74%	0.74	S	S	*	*			trans	-80.3	89.5	159.2	-72.6	-35.8	0	0	0	110
46	G	42.2	Very low	43.9	Very low	58 Å²	58	135.5 Å²	135.5	60%	0.598	72%	0.721	S	S	*	*	S	Bend	trans	-143.3	-33.1	179.1	0	0	0	0	0	116.5	D44	D44-G46 PolarHBondContact O-N 3.48Å
47	D	46	Very low	45	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	71%	0.707	S	S	*	*	S	Bend	trans	-125.3	0.5	-171.5	-73.1	-31.3	0	0	0	114.4
48	F	44.5	Very low	46.5	Very low	181 Å²	181	129 Å²	129	79%	0.794	69%	0.69	S	S	*	*	H	α-helix	trans	-84.1	-26	-172.4	-138.3	-94.5	0	0	0	114.1	S52	F48-S52 PolarHBondContact O-N 3.34Å
49	E	46.8	Very low	48.3	Very low	169 Å²	169	127 Å²	127	79%	0.79	68%	0.678	S	S	*	*	H	α-helix	trans	-72.2	-40.6	-179.3	-73.4	-165.8	151.1	0	0	112.6	S52 F53	E49-S52 PolarHBondContact O-N 2.97Å; E49-S52 PolarHBondContact O-OG 2.55Å; E49-F53 PolarHBondContact O-N 3.24Å; E49-F53 VanDerWaalsContact O-N 3.17Å
50	D	50.2	Low	50	Low	126 Å²	126	126.2 Å²	126.2	67%	0.674	67%	0.672	S	S	*	*	H	α-helix	trans	-68.6	-38.6	-178.4	-83.4	-18.5	0	0	0	112.5	S52 F53 E54	D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.34Å; D50-F53 PolarHBondContact O-N 3.05Å; D50-E54 PolarHBondContact O-N 3.36Å; D50-E54 VanDerWaalsContact O-N 3.13Å
51	V	53.3	Low	52.3	Low	84 Å²	84	123.7 Å²	123.7	51%	0.509	66%	0.659	S	S	.	*	H	α-helix	trans	-66.8	-35.1	175.4	179.4	0	0	0	0	111.2	F53 N55	V51-F53 VanDerWaalsContact C-N 3.34Å; V51-N55 WeakPolarHBondContact O-CB 3.48Å; V51-N55 VanDerWaalsContact O-CG 3.25Å; V51-N55 PolarHBondContact O-N 3.41Å; V51-N55 VanDerWaalsContact O-N 3.16Å; V51-N55 PolarHBondContact O-ND2 2.99Å; V51-N55 VanDerWaalsContact O-ND2 3.07Å
52	S	56.2	Low	54.4	Low	70 Å²	70	118.9 Å²	118.9	49%	0.49	63%	0.628	S	S	.	*	H	α-helix	trans	-66.1	-37.7	176.4	89.6	0	0	0	0	112.1	F48 E49 D50 A56	F48-S52 PolarHBondContact O-N 3.34Å; E49-S52 PolarHBondContact O-N 2.97Å; E49-S52 PolarHBondContact O-OG 2.55Å; D50-S52 VanDerWaalsContact C-N 3.32Å; D50-S52 PolarHBondContact O-N 3.34Å; S52-A56 VanDerWaalsContact O-CB 3.31Å; S52-A56 WeakPolarHBondContact O-CB 3.21Å; S52-A56 PolarHBondContact O-N 3.37Å
53	F	51	Low	56.7	Low	131 Å²	131	113.9 Å²	113.9	58%	0.575	61%	0.612	S	S	*	*	H	α-helix	trans	-74.1	-42.3	-177.1	-174.6	-105.3	0	0	0	112.5	E49 D50 V51 A56 L57	E49-F53 PolarHBondContact O-N 3.24Å; E49-F53 VanDerWaalsContact O-N 3.17Å; D50-F53 PolarHBondContact O-N 3.05Å; V51-F53 VanDerWaalsContact C-N 3.34Å; F53-A56 PolarHBondContact O-N 2.95Å; F53-L57 HydrophobicContact CD1-CD1 3.75Å; F53-L57 HydrophobicContact CE1-CD1 3.33Å; F53-L57 HydrophobicContact CE1-CG 4.21Å; F53-L57 HydrophobicContact CZ-CD1 3.83Å; F53-L57 HydrophobicContact CZ-CG 4.29Å; F53-L57 PolarHBondContact O-N 3.04Å
54	E	57.5	Low	59	Low	145 Å²	145	107.7 Å²	107.7	68%	0.678	59%	0.591	S	S	*	*	H	α-helix	trans	-62.4	-42.4	172.6	-75.4	-165.2	155	0	0	111.8	D50 A56 L57 S58	D50-E54 PolarHBondContact O-N 3.36Å; D50-E54 VanDerWaalsContact O-N 3.13Å; E54-A56 VanDerWaalsContact C-N 3.35Å; E54-A56 PolarHBondContact O-N 2.64Å; E54-L57 PolarHBondContact O-N 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 2.92Å
55	N	58.9	Low	61.2	Low	88 Å²	88	104.7 Å²	104.7	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-64	-39.2	175.4	-76.2	-29.5	0	0	0	112.2	V51 S58 M59	V51-N55 WeakPolarHBondContact O-CB 3.48Å; V51-N55 VanDerWaalsContact O-CG 3.25Å; V51-N55 PolarHBondContact O-N 3.41Å; V51-N55 VanDerWaalsContact O-N 3.16Å; V51-N55 PolarHBondContact O-ND2 2.99Å; V51-N55 VanDerWaalsContact O-ND2 3.07Å; N55-S58 PolarHBondContact O-N 2.94Å; N55-M59 WeakPolarHBondContact O-CB 3.48Å; N55-M59 WeakPolarHBondContact O-CG 3.46Å; N55-M59 PolarHBondContact O-N 3.11Å
56	A	56.9	Low	63.6	Low	51 Å²	51	98 Å²	98	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-66.1	-39.9	175.4	0	0	0	0	0	112.4	S52 F53 E54 K60	S52-A56 VanDerWaalsContact O-CB 3.31Å; S52-A56 WeakPolarHBondContact O-CB 3.21Å; S52-A56 PolarHBondContact O-N 3.37Å; F53-A56 PolarHBondContact O-N 2.95Å; E54-A56 VanDerWaalsContact C-N 3.35Å; E54-A56 PolarHBondContact O-N 2.64Å; A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 PolarHBondContact O-N 3.28Å
57	L	57.7	Low	65.9	Low	94 Å²	94	100.5 Å²	100.5	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-64.7	-43.4	173.9	-82.8	167.2	0	0	0	111.8	F53 E54 K60 S61	F53-L57 HydrophobicContact CD1-CD1 3.75Å; F53-L57 HydrophobicContact CE1-CD1 3.33Å; F53-L57 HydrophobicContact CE1-CG 4.21Å; F53-L57 HydrophobicContact CZ-CD1 3.83Å; F53-L57 HydrophobicContact CZ-CG 4.29Å; F53-L57 PolarHBondContact O-N 3.04Å; E54-L57 PolarHBondContact O-N 3.31Å; L57-K60 PolarHBondContact O-N 3.22Å; L57-S61 WeakPolarHBondContact O-CB 3.5Å; L57-S61 PolarHBondContact O-N 3.3Å
58	S	69.5	Low	68	Low	61 Å²	61	98 Å²	98	43%	0.427	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-47.7	175.4	-179.1	0	0	0	0	111.6	E54 N55 K60 S61 I62	E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 2.92Å; N55-S58 PolarHBondContact O-N 2.94Å; S58-K60 PolarHBondContact O-N 3.15Å; S58-S61 WeakPolarHBondContact O-CB 3.37Å; S58-S61 PolarHBondContact O-N 2.93Å; S58-I62 WeakPolarHBondContact O-CG1 3.42Å; S58-I62 PolarHBondContact O-N 3.35Å
59	M	71.2	Confident	70.2	Confident	132 Å²	132	91.1 Å²	91.1	65%	0.65	50%	0.501	S	S	*	.	H	α-helix	trans	-62.6	-40.2	176.2	-80.2	-158.8	-91.3	0	0	112.5	N55 S61 I62 S63	N55-M59 WeakPolarHBondContact O-CB 3.48Å; N55-M59 WeakPolarHBondContact O-CG 3.46Å; N55-M59 PolarHBondContact O-N 3.11Å; M59-S61 VanDerWaalsContact C-N 3.34Å; M59-I62 PolarHBondContact O-N 3.24Å; M59-S63 WeakPolarHBondContact O-CB 3.45Å; M59-S63 PolarHBondContact O-N 3.08Å; M59-S63 PolarHBondContact O-OG 2.98Å
60	K	73.9	Confident	72.3	Confident	155 Å²	155	83.7 Å²	83.7	67%	0.674	47%	0.468	S	S	*	.	H	α-helix	trans	-63.9	-41.2	175.4	-169.4	174.3	-179.5	179.2	0	111.3	A56 L57 S58 S63 S64	A56-K60 WeakPolarHBondContact O-CB 3.22Å; A56-K60 PolarHBondContact O-N 3.28Å; L57-K60 PolarHBondContact O-N 3.22Å; S58-K60 PolarHBondContact O-N 3.15Å; K60-S63 PolarHBondContact O-N 3.34Å; K60-S63 PolarHBondContact O-OG 3.46Å; K60-S64 WeakPolarHBondContact O-CB 3.33Å; K60-S64 PolarHBondContact O-N 3.28Å
61	S	79.6	Confident	74.2	Confident	70 Å²	70	82.8 Å²	82.8	49%	0.49	46%	0.462	S	S	.	.	H	α-helix	trans	-59.4	-51.7	174.5	-170.7	0	0	0	0	111.4	L57 S58 M59 S63 S64 E65	L57-S61 WeakPolarHBondContact O-CB 3.5Å; L57-S61 PolarHBondContact O-N 3.3Å; S58-S61 WeakPolarHBondContact O-CB 3.37Å; S58-S61 PolarHBondContact O-N 2.93Å; M59-S61 VanDerWaalsContact C-N 3.34Å; S61-S63 VanDerWaalsContact C-N 3.34Å; S61-S63 PolarHBondContact O-N 2.99Å; S61-S64 PolarHBondContact O-N 2.9Å; S61-S64 VanDerWaalsContact O-N 3.15Å; S61-S64 PolarHBondContact O-OG 3.23Å; S61-E65 PolarHBondContact O-N 3.25Å
62	I	81.3	Confident	76.1	Confident	49 Å²	49	82.3 Å²	82.3	25%	0.251	46%	0.461	S	S	.	.	H	α-helix	trans	-58.6	-45.1	178.1	-69.3	165.7	0	0	0	111.1	S58 M59 S64 E65 I66 T308 I312	S58-I62 WeakPolarHBondContact O-CG1 3.42Å; S58-I62 PolarHBondContact O-N 3.35Å; M59-I62 PolarHBondContact O-N 3.24Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.96Å; I62-E65 PolarHBondContact O-N 3.25Å; I62-I66 HydrophobicContact CG2-CD1 3.67Å; I62-I66 HydrophobicContact CG2-CG1 4.41Å; I62-I66 WeakPolarHBondContact O-CG1 3.36Å; I62-I66 PolarHBondContact O-N 3.04Å; I62-T308 HydrophobicContact CG1-CG2 4.4Å; I62-T308 HydrophobicContact CG2-CG2 4.11Å; I62-I312 HydrophobicContact CD1-CD1 4.4Å
63	S	82.6	Confident	77.6	Confident	68 Å²	68	80.3 Å²	80.3	48%	0.476	45%	0.445	S	S	.	.	H	α-helix	trans	-62	-38.1	178.7	74.9	0	0	0	0	112.5	M59 K60 S61 L67	M59-S63 WeakPolarHBondContact O-CB 3.45Å; M59-S63 PolarHBondContact O-N 3.08Å; M59-S63 PolarHBondContact O-OG 2.98Å; K60-S63 PolarHBondContact O-N 3.34Å; K60-S63 PolarHBondContact O-OG 3.46Å; S61-S63 VanDerWaalsContact C-N 3.34Å; S61-S63 PolarHBondContact O-N 2.99Å; S63-L67 WeakPolarHBondContact O-CB 3.47Å; S63-L67 PolarHBondContact O-N 2.97Å
64	S	85	Confident	79.6	Confident	68 Å²	68	76.6 Å²	76.6	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-69.9	-37.8	178.2	74.5	0	0	0	0	112.1	K60 S61 I62 L67 S68	K60-S64 WeakPolarHBondContact O-CB 3.33Å; K60-S64 PolarHBondContact O-N 3.28Å; S61-S64 PolarHBondContact O-N 2.9Å; S61-S64 VanDerWaalsContact O-N 3.15Å; S61-S64 PolarHBondContact O-OG 3.23Å; I62-S64 VanDerWaalsContact C-N 3.3Å; I62-S64 PolarHBondContact O-N 2.96Å; S64-L67 PolarHBondContact O-N 3.39Å; S64-S68 VanDerWaalsContact O-CB 3.29Å; S64-S68 WeakPolarHBondContact O-CB 3.43Å; S64-S68 PolarHBondContact O-N 3.44Å; S64-S68 PolarHBondContact O-OG 2.98Å
65	E	84.7	Confident	81.1	Confident	92 Å²	92	77.6 Å²	77.6	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-49.7	175.9	-171.5	172.8	-174.4	0	0	110.7	S61 I62 L67 S68 C69	S61-E65 PolarHBondContact O-N 3.25Å; I62-E65 PolarHBondContact O-N 3.25Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 3.11Å; E65-S68 PolarHBondContact O-N 2.94Å; E65-S68 PolarHBondContact O-OG 3.38Å; E65-C69 WeakPolarHBondContact O-CB 3.43Å; E65-C69 PolarHBondContact O-N 3.38Å
66	I	87.1	Confident	82.5	Confident	33 Å²	33	81.5 Å²	81.5	17%	0.169	45%	0.449	C	S	.	.	H	α-helix	trans	-59	-44.6	176.3	-67.1	165.4	0	0	0	111.1	I62 C69 S70 T300 C304 F305	I62-I66 HydrophobicContact CG2-CD1 3.67Å; I62-I66 HydrophobicContact CG2-CG1 4.41Å; I62-I66 WeakPolarHBondContact O-CG1 3.36Å; I62-I66 PolarHBondContact O-N 3.04Å; I66-C69 PolarHBondContact O-N 3.4Å; I66-S70 VanDerWaalsContact O-CB 3.32Å; I66-S70 WeakPolarHBondContact O-CB 3.38Å; I66-S70 PolarHBondContact O-N 2.95Å; I66-S70 PolarHBondContact O-OG 3.36Å; I66-T300 HydrophobicContact CG2-CG2 4.45Å; I66-C304 HydrophobicContact CG2-CB 4.34Å; I66-F305 HydrophobicContact CD1-CD2 3.96Å
67	L	89.8	Confident	84	Confident	111 Å²	111	80 Å²	80	58%	0.581	44%	0.437	S	S	*	.	H	α-helix	trans	-64	-42.8	179	-175.9	65.2	0	0	0	111.5	S63 S64 E65 C69 S70 I71	S63-L67 WeakPolarHBondContact O-CB 3.47Å; S63-L67 PolarHBondContact O-N 2.97Å; S64-L67 PolarHBondContact O-N 3.39Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 3.11Å; L67-C69 VanDerWaalsContact C-N 3.31Å; L67-C69 PolarHBondContact O-N 3Å; L67-S70 PolarHBondContact O-N 3.27Å; L67-I71 PolarHBondContact O-N 2.9Å
68	S	90.4	Very high	85.5	Confident	80 Å²	80	81.7 Å²	81.7	56%	0.559	44%	0.438	S	S	*	.	H	α-helix	trans	-64.2	-35.4	178.4	75.8	0	0	0	0	112.7	S64 E65 P72	S64-S68 VanDerWaalsContact O-CB 3.29Å; S64-S68 WeakPolarHBondContact O-CB 3.43Å; S64-S68 PolarHBondContact O-N 3.44Å; S64-S68 PolarHBondContact O-OG 2.98Å; E65-S68 PolarHBondContact O-N 2.94Å; E65-S68 PolarHBondContact O-OG 3.38Å; S68-P72 WeakPolarHBondContact O-CD 3.35Å
69	C	90.5	Very high	86.5	Confident	37 Å²	37	85.8 Å²	85.8	25%	0.25	44%	0.444	C	S	.	.	H	α-helix	trans	-73	-39.3	173.5	169.9	0	0	0	0	112.4	E65 I66 L67 I71 P72 V73 C304	E65-C69 WeakPolarHBondContact O-CB 3.43Å; E65-C69 PolarHBondContact O-N 3.38Å; I66-C69 PolarHBondContact O-N 3.4Å; L67-C69 VanDerWaalsContact C-N 3.31Å; L67-C69 PolarHBondContact O-N 3Å; C69-I71 PolarHBondContact O-N 3.02Å; C69-P72 VanDerWaalsContact O-CD 3.25Å; C69-P72 WeakPolarHBondContact O-CD 3.37Å; C69-P72 VanDerWaalsContact O-CG 3.31Å; C69-P72 WeakPolarHBondContact O-CG 3.11Å; C69-V73 VanDerWaalsContact O-CG2 3.28Å; C69-V73 WeakPolarHBondContact O-CG2 3.33Å; C69-C304 HydrophobicContact CB-CB 3.76Å; C69-C304 WeakPolarHBondContact CB-SG 3.45Å; C69-C304 WeakPolarHBondContact SG-CA 3.3Å; C69-C304 WeakPolarHBondContact SG-CB 3.16Å; C69-C304 CovalentContact SG-SG 2.05Å; C69-C304 PolarHBondContact SG-SG 3.39Å
70	S	91.1	Very high	87.5	Confident	12 Å²	12	80.9 Å²	80.9	8%	0.084	42%	0.42	C	S	.	.	H	α-helix	trans	-65.9	-44.2	-172.7	-63.6	0	0	0	0	112.9	I66 L67 V73 L74 T300	I66-S70 VanDerWaalsContact O-CB 3.32Å; I66-S70 WeakPolarHBondContact O-CB 3.38Å; I66-S70 PolarHBondContact O-N 2.95Å; I66-S70 PolarHBondContact O-OG 3.36Å; L67-S70 PolarHBondContact O-N 3.27Å; S70-V73 PolarHBondContact O-N 3.48Å; S70-L74 WeakPolarHBondContact O-CB 3.45Å; S70-L74 WeakPolarHBondContact O-CG 3.39Å; S70-L74 PolarHBondContact O-N 3.3Å; S70-T300 VanDerWaalsContact OG-CG2 3.23Å; S70-T300 WeakPolarHBondContact OG-CG2 3.44Å
71	I	90.6	Very high	88.4	Confident	107 Å²	107	73.9 Å²	73.9	55%	0.549	39%	0.39	S	S	.	.	H	α-helix	trans	-55.7	-53.5	-175.8	-65.8	169.8	0	0	0	113.1	L67 C69 K75	L67-I71 PolarHBondContact O-N 2.9Å; C69-I71 PolarHBondContact O-N 3.02Å; I71-K75 WeakPolarHBondContact O-CB 3.46Å; I71-K75 PolarHBondContact O-N 3.38Å
72	P	91.9	Very high	89.1	Confident	75 Å²	75	72.7 Å²	72.7	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-66.2	-40.9	-180	24.3	-33.5	0	0	0	112.7	S68 C69 K75 Q76	S68-P72 WeakPolarHBondContact O-CD 3.35Å; C69-P72 VanDerWaalsContact O-CD 3.25Å; C69-P72 WeakPolarHBondContact O-CD 3.37Å; C69-P72 VanDerWaalsContact O-CG 3.31Å; C69-P72 WeakPolarHBondContact O-CG 3.11Å; P72-K75 PolarHBondContact O-N 3.17Å; P72-Q76 WeakPolarHBondContact O-CB 2.89Å; P72-Q76 PolarHBondContact O-N 3.24Å
73	V	89.2	Confident	89.8	Confident	27 Å²	27	71.7 Å²	71.7	16%	0.164	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-48.3	179.4	171.7	0	0	0	0	110.8	C69 S70 K75 Q76 A77 L299 T303	C69-V73 VanDerWaalsContact O-CG2 3.28Å; C69-V73 WeakPolarHBondContact O-CG2 3.33Å; S70-V73 PolarHBondContact O-N 3.48Å; V73-K75 PolarHBondContact O-N 3.17Å; V73-Q76 PolarHBondContact O-N 3.39Å; V73-A77 PolarHBondContact O-N 3.16Å; V73-L299 HydrophobicContact CG1-CD1 3.98Å; V73-L299 HydrophobicContact CG1-CD2 3.76Å; V73-L299 HydrophobicContact CG1-CG 3.66Å; V73-T303 HydrophobicContact CG1-CG2 4.47Å; V73-T303 HydrophobicContact CG2-CG2 3.85Å
74	L	91.5	Very high	90.4	Very high	54 Å²	54	68.8 Å²	68.8	28%	0.283	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-46.3	176.8	-67.2	175.7	0	0	0	110.8	S70 Q76 A77 Y78 F296 L299	S70-L74 WeakPolarHBondContact O-CB 3.45Å; S70-L74 WeakPolarHBondContact O-CG 3.39Å; S70-L74 PolarHBondContact O-N 3.3Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.67Å; L74-A77 PolarHBondContact O-N 3.4Å; L74-Y78 WeakPolarHBondContact O-CB 3.39Å; L74-Y78 PolarHBondContact O-N 3.02Å; L74-F296 HydrophobicContact CD2-CB 3.71Å; L74-F296 HydrophobicContact CD2-CD1 3.26Å; L74-F296 HydrophobicContact CD2-CE1 4.08Å; L74-F296 HydrophobicContact CD2-CG 3.75Å; L74-L299 HydrophobicContact CD2-CD2 4.45Å
75	K	90.5	Very high	90.9	Very high	165 Å²	165	66.1 Å²	66.1	72%	0.717	33%	0.332	S	S	*	.	H	α-helix	trans	-59.9	-37.8	179.6	-172.4	178.2	-179.1	-178.8	0	112.6	I71 P72 V73	I71-K75 WeakPolarHBondContact O-CB 3.46Å; I71-K75 PolarHBondContact O-N 3.38Å; P72-K75 PolarHBondContact O-N 3.17Å; V73-K75 PolarHBondContact O-N 3.17Å
76	Q	87.1	Confident	91.4	Very high	170 Å²	170	64.9 Å²	64.9	79%	0.794	33%	0.331	S	S	*	.	H	α-helix	trans	-67.3	-44.5	178.3	-174.4	177	3.9	0	0	112	P72 V73 L74	P72-Q76 WeakPolarHBondContact O-CB 2.89Å; P72-Q76 PolarHBondContact O-N 3.24Å; V73-Q76 PolarHBondContact O-N 3.39Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.67Å
77	A	88.6	Confident	91.9	Very high	21 Å²	21	63.4 Å²	63.4	17%	0.174	32%	0.323	C	S	.	.	H	α-helix	trans	-73.8	-33.1	179.1	0	0	0	0	0	113	V73 L74 W79 L81 F296 L299 F334	V73-A77 PolarHBondContact O-N 3.16Å; L74-A77 PolarHBondContact O-N 3.4Å; A77-W79 PolarHBondContact O-N 3.07Å; A77-L81 HydrophobicContact CB-CD1 4.44Å; A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 3.39Å; A77-F296 HydrophobicContact CB-CE1 4.11Å; A77-L299 HydrophobicContact CB-CD2 3.68Å; A77-F334 HydrophobicContact CB-CZ 4.1Å
78	Y	90.2	Very high	92.2	Very high	129 Å²	129	58.1 Å²	58.1	51%	0.506	30%	0.296	S	S	.	.	H	α-helix	trans	-55.8	-47.4	-169.5	179.3	-97.1	0	0	0	114.3	L74 I82 F296	L74-Y78 WeakPolarHBondContact O-CB 3.39Å; L74-Y78 PolarHBondContact O-N 3.02Å; Y78-I82 HydrophobicContact CD1-CD1 3.72Å; Y78-I82 HydrophobicContact CD2-CD1 3.5Å; Y78-I82 HydrophobicContact CE1-CD1 3.29Å; Y78-I82 HydrophobicContact CE2-CD1 3.07Å; Y78-I82 HydrophobicContact CE2-CG1 4.36Å; Y78-I82 HydrophobicContact CG-CD1 3.81Å; Y78-I82 WeakPolarHBondContact O-CB 3.31Å; Y78-I82 WeakPolarHBondContact O-CG1 3.31Å; Y78-I82 PolarHBondContact O-N 3.13Å; Y78-I82 VanDerWaalsContact OH-CD1 3.26Å; Y78-I82 WeakPolarHBondContact OH-CD1 3.2Å; Y78-F296 HydrophobicContact CD2-CZ 4.22Å
79	W	90	Very high	92.3	Very high	146 Å²	146	57 Å²	57	55%	0.553	28%	0.283	S	S	*	.	H	α-helix	trans	-67.1	-45.7	-168.2	-175.5	82.4	0	0	0	113	A77 L83 Y131	A77-W79 PolarHBondContact O-N 3.07Å; W79-L83 PolarHBondContact O-N 3.36Å; W79-L83 VanDerWaalsContact O-N 3.13Å; W79-Y131 AromaticContact CH2-CD1 3.31Å; W79-Y131 HydrophobicContact CH2-CD1 3.31Å; W79-Y131 AromaticContact CH2-CE1 3.99Å; W79-Y131 HydrophobicContact CH2-CE1 3.99Å; W79-Y131 AromaticContact CH2-CG 3.62Å; W79-Y131 HydrophobicContact CH2-CG 3.62Å; W79-Y131 AromaticContact CZ2-CD1 3.96Å; W79-Y131 HydrophobicContact CZ2-CD1 3.96Å; W79-Y131 HydrophobicContact CZ2-CE1 4.2Å; W79-Y131 HydrophobicContact CZ2-CG 4.32Å; W79-Y131 HydrophobicContact CZ3-CD1 4.3Å; W79-Y131 HydrophobicContact CZ3-CG 4.33Å
80	L	91.4	Very high	92.5	Very high	30 Å²	30	58.7 Å²	58.7	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-70.9	-40	179.5	-178.3	57.9	0	0	0	111.9	I82 L83 I84 A132 L252 F253	L80-I82 VanDerWaalsContact C-N 3.35Å; L80-I82 PolarHBondContact O-N 2.97Å; L80-L83 HydrophobicContact CD1-CD2 4.37Å; L80-L83 WeakPolarHBondContact O-CB 3.49Å; L80-L83 PolarHBondContact O-N 2.85Å; L80-I84 HydrophobicContact CG-CD1 4.38Å; L80-I84 WeakPolarHBondContact O-CG1 3.45Å; L80-I84 PolarHBondContact O-N 3.24Å; L80-A132 HydrophobicContact CD1-CB 4.17Å; L80-A132 HydrophobicContact CD2-CB 4.3Å; L80-L252 HydrophobicContact CD1-CD1 3.98Å; L80-L252 HydrophobicContact CD2-CD1 4.14Å; L80-L252 HydrophobicContact CG-CD1 4.36Å; L80-F253 HydrophobicContact CD2-CE2 3.76Å; L80-F253 HydrophobicContact CD2-CZ 4.47Å
81	L	93.9	Very high	92.7	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-38.9	178.3	-68.2	-177.4	0	0	0	112.4	A77 I84 L85 F292 F296 F334 S338	A77-L81 HydrophobicContact CB-CD1 4.44Å; A77-L81 WeakPolarHBondContact O-CG 3.35Å; A77-L81 PolarHBondContact O-N 3.39Å; L81-I84 HydrophobicContact CD2-CD1 4.47Å; L81-I84 PolarHBondContact O-N 3.14Å; L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 3.33Å; L81-F292 HydrophobicContact CB-CE2 3.85Å; L81-F292 HydrophobicContact CB-CZ 4.25Å; L81-F292 HydrophobicContact CD1-CE2 4.13Å; L81-F296 HydrophobicContact CD1-CE1 4.27Å; L81-F296 HydrophobicContact CD1-CZ 4.22Å; L81-F334 HydrophobicContact CD1-CE2 3.67Å; L81-F334 HydrophobicContact CD1-CZ 3.73Å; L81-S338 VanDerWaalsContact CD2-OG 3.27Å; L81-S338 WeakPolarHBondContact CD2-OG 3.48Å
82	I	94.2	Very high	92.7	Very high	45 Å²	45	54.1 Å²	54.1	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-38.8	175.4	-79	170.7	0	0	0	111.7	Y78 L80 I84 L85 V86 F292	Y78-I82 HydrophobicContact CD1-CD1 3.72Å; Y78-I82 HydrophobicContact CD2-CD1 3.5Å; Y78-I82 HydrophobicContact CE1-CD1 3.29Å; Y78-I82 HydrophobicContact CE2-CD1 3.07Å; Y78-I82 HydrophobicContact CE2-CG1 4.36Å; Y78-I82 HydrophobicContact CG-CD1 3.81Å; Y78-I82 WeakPolarHBondContact O-CB 3.31Å; Y78-I82 WeakPolarHBondContact O-CG1 3.31Å; Y78-I82 PolarHBondContact O-N 3.13Å; Y78-I82 VanDerWaalsContact OH-CD1 3.26Å; Y78-I82 WeakPolarHBondContact OH-CD1 3.2Å; L80-I82 VanDerWaalsContact C-N 3.35Å; L80-I82 PolarHBondContact O-N 2.97Å; I82-I84 VanDerWaalsContact C-N 3.27Å; I82-I84 PolarHBondContact O-N 3.08Å; I82-L85 PolarHBondContact O-N 2.73Å; I82-V86 HydrophobicContact CG2-CG2 3.86Å; I82-V86 VanDerWaalsContact O-CB 3.26Å; I82-V86 WeakPolarHBondContact O-CB 3.29Å; I82-V86 VanDerWaalsContact O-CG2 3.23Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.45Å; I82-F292 HydrophobicContact CG1-CE1 4.18Å; I82-F292 HydrophobicContact CG1-CZ 3.88Å
83	L	94.9	Very high	92.6	Very high	29 Å²	29	54.5 Å²	54.5	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-44.2	173.7	178	68.2	0	0	0	111	W79 L80 S87 L127 V128 Y131	W79-L83 PolarHBondContact O-N 3.36Å; W79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 HydrophobicContact CD1-CD2 4.37Å; L80-L83 WeakPolarHBondContact O-CB 3.49Å; L80-L83 PolarHBondContact O-N 2.85Å; L83-S87 VanDerWaalsContact O-CB 3.25Å; L83-S87 WeakPolarHBondContact O-CB 3.48Å; L83-S87 PolarHBondContact O-N 2.86Å; L83-S87 PolarHBondContact O-OG 3.47Å; L83-L127 HydrophobicContact CD1-CD2 4.33Å; L83-V128 HydrophobicContact CD2-CG2 4.44Å; L83-V128 HydrophobicContact CG-CG2 4.23Å; L83-Y131 HydrophobicContact CD1-CD2 4.26Å; L83-Y131 HydrophobicContact CD2-CD2 3.55Å; L83-Y131 HydrophobicContact CD2-CG 3.85Å
84	I	96	Very high	92.8	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-51.9	175.8	-67	165.6	0	0	0	110.5	L80 L81 I82 S87 C88 V128 P248 L252 F253	L80-I84 HydrophobicContact CG-CD1 4.38Å; L80-I84 WeakPolarHBondContact O-CG1 3.45Å; L80-I84 PolarHBondContact O-N 3.24Å; L81-I84 HydrophobicContact CD2-CD1 4.47Å; L81-I84 PolarHBondContact O-N 3.14Å; I82-I84 VanDerWaalsContact C-N 3.27Å; I82-I84 PolarHBondContact O-N 3.08Å; I84-S87 WeakPolarHBondContact O-CB 3.41Å; I84-S87 PolarHBondContact O-N 3.35Å; I84-C88 PolarHBondContact O-N 2.9Å; I84-C88 PolarHBondContact O-SG 2.85Å; I84-V128 HydrophobicContact CD1-CG1 4.48Å; I84-V128 HydrophobicContact CG1-CG1 3.79Å; I84-V128 HydrophobicContact CG1-CG2 4.28Å; I84-P248 WeakPolarHBondContact CG2-O 3.24Å; I84-L252 HydrophobicContact CD1-CD1 4.3Å; I84-F253 HydrophobicContact CD1-CD2 4.34Å
85	L	95.6	Very high	92.7	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-48.8	-178.8	-75.8	176.6	0	0	0	112.5	L81 I82 S87 C88 L89 T288 F292 A345	L81-L85 WeakPolarHBondContact O-CG 3.31Å; L81-L85 PolarHBondContact O-N 3.33Å; I82-L85 PolarHBondContact O-N 2.73Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.08Å; L85-C88 WeakPolarHBondContact O-CB 3.45Å; L85-C88 PolarHBondContact O-N 3.18Å; L85-C88 VanDerWaalsContact O-N 3.15Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.36Å; L85-T288 HydrophobicContact CD2-CG2 4.09Å; L85-F292 HydrophobicContact CD1-CB 4.36Å; L85-F292 HydrophobicContact CD1-CD1 3.85Å; L85-F292 HydrophobicContact CD1-CD2 3.38Å; L85-F292 HydrophobicContact CD1-CE1 3.84Å; L85-F292 HydrophobicContact CD1-CE2 3.38Å; L85-F292 HydrophobicContact CD1-CG 3.61Å; L85-F292 HydrophobicContact CD1-CZ 3.6Å; L85-F292 HydrophobicContact CG-CE2 4.48Å; L85-A345 HydrophobicContact CD2-CB 4.05Å
86	V	95.6	Very high	92.4	Very high	66 Å²	66	48 Å²	48	40%	0.4	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-43	178	170.3	0	0	0	0	110.1	I82 C88 L89 I90	I82-V86 HydrophobicContact CG2-CG2 3.86Å; I82-V86 VanDerWaalsContact O-CB 3.26Å; I82-V86 WeakPolarHBondContact O-CB 3.29Å; I82-V86 VanDerWaalsContact O-CG2 3.23Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.45Å; V86-C88 VanDerWaalsContact C-N 3.33Å; V86-C88 PolarHBondContact O-N 3.5Å; V86-L89 PolarHBondContact O-N 3.07Å; V86-I90 HydrophobicContact CG1-CD1 3.64Å; V86-I90 HydrophobicContact CG1-CG1 4.15Å; V86-I90 WeakPolarHBondContact O-CG1 3.3Å; V86-I90 PolarHBondContact O-N 3.33Å
87	S	96.5	Very high	92.5	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-44.9	175	-62.1	0	0	0	0	111.8	L83 I84 L85 I90 W91 L124	L83-S87 VanDerWaalsContact O-CB 3.25Å; L83-S87 WeakPolarHBondContact O-CB 3.48Å; L83-S87 PolarHBondContact O-N 2.86Å; L83-S87 PolarHBondContact O-OG 3.47Å; I84-S87 WeakPolarHBondContact O-CB 3.41Å; I84-S87 PolarHBondContact O-N 3.35Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.08Å; S87-I90 PolarHBondContact O-N 2.93Å; S87-W91 PolarHBondContact O-N 2.94Å; S87-L124 VanDerWaalsContact O-CD1 3.22Å; S87-L124 WeakPolarHBondContact O-CD1 3.37Å
88	C	95.6	Very high	92.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-42.6	177.3	-62.5	0	0	0	0	112.3	I84 L85 V86 W91 R92 A249 A345 L346	I84-C88 PolarHBondContact O-N 2.9Å; I84-C88 PolarHBondContact O-SG 2.85Å; L85-C88 WeakPolarHBondContact O-CB 3.45Å; L85-C88 PolarHBondContact O-N 3.18Å; L85-C88 VanDerWaalsContact O-N 3.15Å; V86-C88 VanDerWaalsContact C-N 3.33Å; V86-C88 PolarHBondContact O-N 3.5Å; C88-W91 PolarHBondContact O-N 3.3Å; C88-R92 PolarHBondContact O-N 3.42Å; C88-A249 VanDerWaalsContact SG-CB 3.59Å; C88-A345 HydrophobicContact CB-CB 3.94Å; C88-L346 HydrophobicContact CB-CB 4.12Å; C88-L346 HydrophobicContact CB-CD1 4.29Å
89	L	93.7	Very high	92.2	Very high	56 Å²	56	40.4 Å²	40.4	29%	0.293	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-42.8	176.9	-69	176.6	0	0	0	112.1	L85 V86 W91 R92 V93 L285 A345	L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.36Å; V86-L89 PolarHBondContact O-N 3.07Å; L89-W91 VanDerWaalsContact C-N 3.34Å; L89-W91 PolarHBondContact O-N 2.92Å; L89-R92 PolarHBondContact O-N 3.48Å; L89-V93 WeakPolarHBondContact O-CG2 3.35Å; L89-V93 PolarHBondContact O-N 3.43Å; L89-L285 HydrophobicContact CD2-CD2 3.38Å; L89-A345 HydrophobicContact CD2-CB 4.01Å; L89-A345 HydrophobicContact CG-CB 4.27Å
90	I	94.9	Very high	91.9	Very high	73 Å²	73	42.5 Å²	42.5	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-45.3	176	-64.4	167.4	0	0	0	109.6	V86 S87 R92 V93 V94 F120	V86-I90 HydrophobicContact CG1-CD1 3.64Å; V86-I90 HydrophobicContact CG1-CG1 4.15Å; V86-I90 WeakPolarHBondContact O-CG1 3.3Å; V86-I90 PolarHBondContact O-N 3.33Å; S87-I90 PolarHBondContact O-N 2.93Å; I90-R92 VanDerWaalsContact C-N 3.29Å; I90-R92 PolarHBondContact O-N 3.08Å; I90-V93 PolarHBondContact O-N 3.24Å; I90-V94 HydrophobicContact CG2-CG2 4.44Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.47Å; I90-F120 HydrophobicContact CB-CE1 4.47Å; I90-F120 HydrophobicContact CG2-CE1 3.64Å; I90-F120 HydrophobicContact CG2-CZ 3.48Å; I90-F120 VanDerWaalsContact CG2-CZ 3.48Å
91	W	94.7	Very high	91.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-56	-45.8	176.4	-173.2	92.7	0	0	0	111.6	S87 C88 L89 V94 Q95 L117 F120 L124 M265 V266 L346	S87-W91 PolarHBondContact O-N 2.94Å; C88-W91 PolarHBondContact O-N 3.3Å; L89-W91 VanDerWaalsContact C-N 3.34Å; L89-W91 PolarHBondContact O-N 2.92Å; W91-V94 PolarHBondContact O-N 2.86Å; W91-Q95 HydrophobicContact CH2-CG 4.43Å; W91-Q95 HydrophobicContact CZ3-CB 4.32Å; W91-Q95 HydrophobicContact CZ3-CG 4.48Å; W91-Q95 PolarHBondContact O-N 3.27Å; W91-L117 HydrophobicContact CZ2-CB 4.07Å; W91-L117 HydrophobicContact CZ2-CD1 4.37Å; W91-L117 HydrophobicContact CZ2-CD2 4.18Å; W91-L117 HydrophobicContact CZ2-CG 4.45Å; W91-L117 PolarHBondContact NE1-O 3.23Å; W91-L117 VanDerWaalsContact NE1-O 3.08Å; W91-F120 HydrophobicContact CB-CD1 4.29Å; W91-F120 HydrophobicContact CB-CE1 4.43Å; W91-F120 AromaticContact CD1-CD1 3.81Å; W91-F120 HydrophobicContact CG-CD1 4.35Å; W91-L124 HydrophobicContact CB-CD1 3.76Å; W91-L124 HydrophobicContact CG-CD1 4.48Å; W91-M265 HydrophobicContact CH2-CE 3.64Å; W91-M265 HydrophobicContact CH2-SD 4.5Å; W91-M265 HydrophobicContact CZ2-CE 4.31Å; W91-M265 HydrophobicContact CZ3-CE 3.98Å; W91-M265 HydrophobicContact CZ3-SD 4.45Å; W91-V266 HydrophobicContact CH2-CG2 4.35Å; W91-V266 HydrophobicContact CZ2-CG2 3.99Å; W91-L346 HydrophobicContact CB-CD1 4.12Å; W91-L346 HydrophobicContact CD2-CD1 3.74Å; W91-L346 HydrophobicContact CE3-CD1 3.43Å; W91-L346 VanDerWaalsContact CE3-CD1 3.43Å; W91-L346 HydrophobicContact CE3-CG 4.07Å; W91-L346 HydrophobicContact CG-CD1 4.03Å; W91-L346 HydrophobicContact CZ3-CD1 4.15Å; W91-L346 HydrophobicContact CZ3-CG 4.34Å
92	R	90.7	Very high	91.2	Very high	21 Å²	21	49.1 Å²	49.1	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-65.1	-39.2	178	-174.9	173.2	-178.9	173.6	6.5	113.3	C88 L89 I90 Q95 F96 F276 S284 T344 A345	C88-R92 PolarHBondContact O-N 3.42Å; L89-R92 PolarHBondContact O-N 3.48Å; I90-R92 VanDerWaalsContact C-N 3.29Å; I90-R92 PolarHBondContact O-N 3.08Å; R92-Q95 PolarHBondContact O-N 2.93Å; R92-F96 PolarHBondContact O-N 3.43Å; R92-F276 HydrophobicContact CG-CE1 4.48Å; R92-F276 HydrophobicContact CG-CZ 4.21Å; R92-S284 PolarHBondContact NH1-OG 3.49Å; R92-S284 VanDerWaalsContact NH2-CB 3.27Å; R92-S284 PolarHBondContact NH2-OG 2.93Å; R92-T344 PolarHBondContact NH1-O 3.04Å; R92-A345 WeakPolarHBondContact CD-O 3.3Å; R92-A345 PolarHBondContact NH1-O 2.99Å
93	V	90.2	Very high	90.2	Very high	83 Å²	83	50.6 Å²	50.6	50%	0.503	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-43.9	174.7	170.4	0	0	0	0	110.4	L89 I90 Q95 F96 L97	L89-V93 WeakPolarHBondContact O-CG2 3.35Å; L89-V93 PolarHBondContact O-N 3.43Å; I90-V93 PolarHBondContact O-N 3.24Å; V93-Q95 PolarHBondContact O-N 3.32Å; V93-F96 WeakPolarHBondContact O-CB 3.5Å; V93-F96 PolarHBondContact O-N 2.78Å; V93-L97 HydrophobicContact CG1-CD1 3.98Å; V93-L97 HydrophobicContact CG1-CG 4.35Å; V93-L97 VanDerWaalsContact O-CG 3.31Å; V93-L97 WeakPolarHBondContact O-CG 3.41Å; V93-L97 PolarHBondContact O-N 3.42Å
94	V	92.6	Very high	88.9	Confident	32 Å²	32	51.4 Å²	51.4	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-43.8	176.6	171.4	0	0	0	0	111.2	I90 W91 F96 L97 L98 L117 F120	I90-V94 HydrophobicContact CG2-CG2 4.44Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.47Å; W91-V94 PolarHBondContact O-N 2.86Å; V94-F96 VanDerWaalsContact C-N 3.34Å; V94-F96 PolarHBondContact O-N 3.49Å; V94-L97 PolarHBondContact O-N 2.8Å; V94-L98 HydrophobicContact CG1-CD1 3.72Å; V94-L98 HydrophobicContact CG1-CG 4.14Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 2.95Å; V94-L117 HydrophobicContact CG1-CD2 4.14Å; V94-F120 HydrophobicContact CB-CD1 4.25Å; V94-F120 HydrophobicContact CB-CE1 4.17Å; V94-F120 HydrophobicContact CG1-CD1 4.36Å; V94-F120 HydrophobicContact CG1-CG 4.47Å; V94-F120 HydrophobicContact CG2-CD1 4.2Å; V94-F120 HydrophobicContact CG2-CE1 3.69Å; V94-F120 HydrophobicContact CG2-CE2 4.34Å; V94-F120 HydrophobicContact CG2-CZ 3.79Å
95	Q	89.6	Confident	87.4	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.028	31%	0.309	C	S	.	.	H	α-helix	trans	-55.5	-47.8	172.9	-178.9	-170.3	23.5	0	0	111.9	W91 R92 V93 L98 N99 L117 M265 N268	W91-Q95 HydrophobicContact CH2-CG 4.43Å; W91-Q95 HydrophobicContact CZ3-CB 4.32Å; W91-Q95 HydrophobicContact CZ3-CG 4.48Å; W91-Q95 PolarHBondContact O-N 3.27Å; R92-Q95 PolarHBondContact O-N 2.93Å; V93-Q95 PolarHBondContact O-N 3.32Å; Q95-L98 PolarHBondContact O-N 3.27Å; Q95-N99 WeakPolarHBondContact O-CB 3.4Å; Q95-N99 VanDerWaalsContact O-CG 3.28Å; Q95-N99 PolarHBondContact O-N 3.46Å; Q95-N99 PolarHBondContact O-ND2 3.5Å; Q95-L117 HydrophobicContact CB-CD1 4.19Å; Q95-L117 HydrophobicContact CB-CD2 3.84Å; Q95-L117 HydrophobicContact CG-CD1 3.95Å; Q95-M265 PolarHBondContact NE2-O 2.92Å; Q95-N268 PolarHBondContact NE2-OD1 3.3Å
96	F	84.7	Confident	86.3	Confident	73 Å²	73	59.7 Å²	59.7	32%	0.32	32%	0.322	S	S	.	.	H	α-helix	trans	-60.4	-46.6	177.4	177.6	-99.1	0	0	0	112.2	R92 V93 V94 R100 F276	R92-F96 PolarHBondContact O-N 3.43Å; V93-F96 WeakPolarHBondContact O-CB 3.5Å; V93-F96 PolarHBondContact O-N 2.78Å; V94-F96 VanDerWaalsContact C-N 3.34Å; V94-F96 PolarHBondContact O-N 3.49Å; F96-R100 WeakPolarHBondContact O-CB 3.37Å; F96-R100 PolarHBondContact O-N 2.88Å; F96-R100 VanDerWaalsContact O-N 3.08Å; F96-F276 HydrophobicContact CB-CE1 4.42Å; F96-F276 HydrophobicContact CD2-CB 4.45Å; F96-F276 AromaticContact CD2-CD1 3.72Å; F96-F276 HydrophobicContact CD2-CD1 3.72Å; F96-F276 HydrophobicContact CD2-CE1 4.24Å; F96-F276 HydrophobicContact CD2-CG 4.28Å; F96-F276 HydrophobicContact CE2-CD1 4.43Å
97	L	89	Confident	85.3	Confident	94 Å²	94	61.8 Å²	61.8	49%	0.492	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-45.3	179.4	-68.3	175	0	0	0	111.9	V93 V94 R100 C101	V93-L97 HydrophobicContact CG1-CD1 3.98Å; V93-L97 HydrophobicContact CG1-CG 4.35Å; V93-L97 VanDerWaalsContact O-CG 3.31Å; V93-L97 WeakPolarHBondContact O-CG 3.41Å; V93-L97 PolarHBondContact O-N 3.42Å; V94-L97 PolarHBondContact O-N 2.8Å; L97-R100 PolarHBondContact O-N 3.02Å; L97-C101 WeakPolarHBondContact O-CB 3.13Å; L97-C101 PolarHBondContact O-N 3.27Å; L97-C101 PolarHBondContact O-SG 2.86Å
98	L	89.7	Confident	84.4	Confident	25 Å²	25	68 Å²	68	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-63.9	-43.8	178.9	-72	174.3	0	0	0	111.9	V94 Q95 R100 C101 F102 V113 I116 L117	V94-L98 HydrophobicContact CG1-CD1 3.72Å; V94-L98 HydrophobicContact CG1-CG 4.14Å; V94-L98 WeakPolarHBondContact O-CB 3.34Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 2.95Å; Q95-L98 PolarHBondContact O-N 3.27Å; L98-R100 PolarHBondContact O-N 3.32Å; L98-C101 PolarHBondContact O-N 2.96Å; L98-F102 HydrophobicContact CD2-CD2 4.47Å; L98-F102 HydrophobicContact CD2-CE2 4.41Å; L98-F102 WeakPolarHBondContact O-CB 3.27Å; L98-F102 PolarHBondContact O-N 3.47Å; L98-V113 HydrophobicContact CB-CG1 3.87Å; L98-V113 HydrophobicContact CB-CG2 4.35Å; L98-V113 HydrophobicContact CD1-CG1 4.34Å; L98-I116 HydrophobicContact CD1-CB 4.07Å; L98-I116 HydrophobicContact CD1-CG2 3.62Å; L98-I116 HydrophobicContact CD2-CD1 4.35Å; L98-L117 HydrophobicContact CD1-CD2 3.89Å; L98-L117 HydrophobicContact CD1-CG 3.99Å
99	N	82.8	Confident	83.7	Confident	41 Å²	41	69.4 Å²	69.4	22%	0.219	37%	0.367	C	S	.	.	H	α-helix	trans	-64.7	-29.6	177	-76.2	-22.9	0	0	0	112.9	Q95 F102 N268	Q95-N99 WeakPolarHBondContact O-CB 3.4Å; Q95-N99 VanDerWaalsContact O-CG 3.28Å; Q95-N99 PolarHBondContact O-N 3.46Å; Q95-N99 PolarHBondContact O-ND2 3.5Å; N99-F102 CarbonylContact O-C 3.2Å; N99-N268 VanDerWaalsContact ND2-CG 3.3Å; N99-N268 PolarHBondContact ND2-ND2 3.27Å; N99-N268 PolarHBondContact ND2-OD1 3.44Å; N99-N268 PolarHBondContact OD1-ND2 3.25Å
100	R	83.7	Confident	83.1	Confident	190 Å²	190	70.5 Å²	70.5	72%	0.717	37%	0.367	S	S	*	.	H	α-helix	trans	-76.8	-40.4	175.5	-170.1	173.4	-178.9	110.6	-1.1	112.1	F96 L97 L98	F96-R100 WeakPolarHBondContact O-CB 3.37Å; F96-R100 PolarHBondContact O-N 2.88Å; F96-R100 VanDerWaalsContact O-N 3.08Å; L97-R100 PolarHBondContact O-N 3.02Å; L98-R100 PolarHBondContact O-N 3.32Å
101	C	86.7	Confident	82.5	Confident	91 Å²	91	67.8 Å²	67.8	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-72.2	-31.4	177.8	-69	0	0	0	0	112.8	L97 L98 P103	L97-C101 WeakPolarHBondContact O-CB 3.13Å; L97-C101 PolarHBondContact O-N 3.27Å; L97-C101 PolarHBondContact O-SG 2.86Å; L98-C101 PolarHBondContact O-N 2.96Å; C101-P103 WeakPolarHBondContact O-CD 3.49Å
102	F	84.6	Confident	82.1	Confident	84 Å²	84	72.5 Å²	72.5	37%	0.368	38%	0.375	S	S	.	.	S	Bend	trans	-124.6	77.8	-179	-62.4	-78	0	0	0	110.3	L98 N99 S104 S109 F112 V113	L98-F102 HydrophobicContact CD2-CD2 4.47Å; L98-F102 HydrophobicContact CD2-CE2 4.41Å; L98-F102 WeakPolarHBondContact O-CB 3.27Å; L98-F102 PolarHBondContact O-N 3.47Å; N99-F102 CarbonylContact O-C 3.2Å; F102-S104 PolarHBondContact O-N 3.45Å; F102-S109 WeakPolarHBondContact CB-OG 3.39Å; F102-F112 HydrophobicContact CE1-CE1 4.43Å; F102-F112 HydrophobicContact CE2-CE1 4.16Å; F102-F112 AromaticContact CZ-CE1 3.99Å; F102-F112 HydrophobicContact CZ-CE1 3.99Å; F102-V113 HydrophobicContact CB-CG2 3.78Å; F102-V113 HydrophobicContact CD2-CG2 4.17Å; F102-V113 HydrophobicContact CG-CG2 4.24Å
103	P	72.8	Confident	82	Confident	77 Å²	77	71.6 Å²	71.6	50%	0.5	37%	0.372	S	S	.	.			trans	-55.2	137	179.7	-23.2	32.5	0	0	0	111.1	C101 N105	C101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-N105 PolarHBondContact O-N 3.04Å
104	S	66.6	Low	81.9	Confident	46 Å²	46	67.7 Å²	67.7	32%	0.322	35%	0.348	S	S	.	.	S	Bend	trans	-67.7	32.7	-167.6	-160.5	0	0	0	0	115.4	F102 R110	F102-S104 PolarHBondContact O-N 3.45Å; S104-R110 VanDerWaalsContact O-CZ 3.32Å; S104-R110 PolarHBondContact O-NE 2.88Å; S104-R110 PolarHBondContact O-NH2 3.01Å; S104-R110 WeakPolarHBondContact OG-CD 3.03Å; S104-R110 WeakPolarHBondContact OG-CG 3.37Å; S104-R110 VanDerWaalsContact OG-CZ 3.25Å; S104-R110 PolarHBondContact OG-NE 3.46Å; S104-R110 PolarHBondContact OG-NH2 3.27Å
105	N	65.4	Low	81.9	Confident	160 Å²	160	69 Å²	69	86%	0.856	35%	0.354	S	S	*	.	S	Bend	trans	-84.5	-8.1	-173.4	-69.6	-4.2	0	0	0	113.5	P103	P103-N105 PolarHBondContact O-N 3.04Å
106	G	72	Confident	82.1	Confident	32 Å²	32	71.4 Å²	71.4	33%	0.33	37%	0.366	S	S	.	.	S	Bend	trans	-140.6	142.9	178.1	0	0	0	0	0	113.5	I108 S109 R110	G106-I108 VanDerWaalsContact C-N 3.3Å; G106-I108 PolarHBondContact O-N 3.3Å; G106-S109 PolarHBondContact O-N 3.2Å; G106-R110 PolarHBondContact O-N 3.41Å
107	K	75.4	Confident	82.5	Confident	110 Å²	110	67.9 Å²	67.9	48%	0.478	35%	0.351	S	S	.	.	H	α-helix	trans	-55.7	-43.2	178.9	-62.9	-168.5	-178.3	-175.5	0	112.3	S109 R110 T111 K224 P226	K107-S109 PolarHBondContact O-N 3.43Å; K107-R110 WeakPolarHBondContact O-CB 3.28Å; K107-R110 PolarHBondContact O-N 2.81Å; K107-T111 PolarHBondContact O-N 3.12Å; K107-T111 PolarHBondContact O-OG1 2.86Å; K107-T111 VanDerWaalsContact O-OG1 3.05Å; K107-K224 PolarHBondContact NZ-O 2.63Å; K107-P226 HydrophobicContact CB-CG 4.09Å
108	I	77.3	Confident	82.8	Confident	132 Å²	132	63.4 Å²	63.4	68%	0.677	33%	0.327	S	S	*	.	H	α-helix	trans	-59.6	-44.8	-179.9	-63.6	167	0	0	0	111.7	G106 R110 T111 F112	G106-I108 VanDerWaalsContact C-N 3.3Å; G106-I108 PolarHBondContact O-N 3.3Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.27Å; I108-T111 PolarHBondContact O-N 3.11Å; I108-F112 WeakPolarHBondContact O-CB 2.91Å; I108-F112 PolarHBondContact O-N 2.92Å
109	S	80.3	Confident	83.1	Confident	30 Å²	30	66.3 Å²	66.3	21%	0.21	34%	0.342	C	S	.	.	H	α-helix	trans	-63.6	-40.7	178.8	168.5	0	0	0	0	111.5	F102 G106 K107 F112 V113	F102-S109 WeakPolarHBondContact CB-OG 3.39Å; G106-S109 PolarHBondContact O-N 3.2Å; K107-S109 PolarHBondContact O-N 3.43Å; S109-F112 PolarHBondContact O-N 3.27Å; S109-V113 WeakPolarHBondContact O-CG2 3.33Å; S109-V113 PolarHBondContact O-N 2.85Å
110	R	80.8	Confident	83.7	Confident	79 Å²	79	67.1 Å²	67.1	30%	0.298	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-45.5	175.1	-64.9	177.5	-172.2	-167.9	-7.6	112.1	S104 G106 K107 I108 F112 V113 A114	S104-R110 VanDerWaalsContact O-CZ 3.32Å; S104-R110 PolarHBondContact O-NE 2.88Å; S104-R110 PolarHBondContact O-NH2 3.01Å; S104-R110 WeakPolarHBondContact OG-CD 3.03Å; S104-R110 WeakPolarHBondContact OG-CG 3.37Å; S104-R110 VanDerWaalsContact OG-CZ 3.25Å; S104-R110 PolarHBondContact OG-NE 3.46Å; S104-R110 PolarHBondContact OG-NH2 3.27Å; G106-R110 PolarHBondContact O-N 3.41Å; K107-R110 WeakPolarHBondContact O-CB 3.28Å; K107-R110 PolarHBondContact O-N 2.81Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.27Å; R110-F112 VanDerWaalsContact C-N 3.34Å; R110-F112 PolarHBondContact O-N 2.83Å; R110-V113 PolarHBondContact O-N 3.34Å; R110-A114 WeakPolarHBondContact O-CB 3.35Å; R110-A114 PolarHBondContact O-N 3.38Å
111	T	82.2	Confident	84.3	Confident	16 Å²	16	58.1 Å²	58.1	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-44.1	177.3	-52.1	0	0	0	0	111.4	K107 I108 A114 I115 I229	K107-T111 PolarHBondContact O-N 3.12Å; K107-T111 PolarHBondContact O-OG1 2.86Å; K107-T111 VanDerWaalsContact O-OG1 3.05Å; I108-T111 PolarHBondContact O-N 3.11Å; T111-A114 PolarHBondContact O-N 2.93Å; T111-I115 HydrophobicContact CG2-CD1 4.07Å; T111-I115 WeakPolarHBondContact O-CG1 3.27Å; T111-I115 PolarHBondContact O-N 2.76Å; T111-I229 HydrophobicContact CG2-CD1 3.47Å; T111-I229 VanDerWaalsContact CG2-CD1 3.47Å; T111-I229 HydrophobicContact CG2-CG1 4.14Å; T111-I229 WeakPolarHBondContact OG1-CD1 3.37Å
112	F	86.4	Confident	84.8	Confident	100 Å²	100	54.9 Å²	54.9	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-48	177.5	177.4	-104.2	0	0	0	112	F102 I108 S109 R110 A114 I115 I116	F102-F112 HydrophobicContact CE1-CE1 4.43Å; F102-F112 HydrophobicContact CE2-CE1 4.16Å; F102-F112 AromaticContact CZ-CE1 3.99Å; F102-F112 HydrophobicContact CZ-CE1 3.99Å; I108-F112 WeakPolarHBondContact O-CB 2.91Å; I108-F112 PolarHBondContact O-N 2.92Å; S109-F112 PolarHBondContact O-N 3.27Å; R110-F112 VanDerWaalsContact C-N 3.34Å; R110-F112 PolarHBondContact O-N 2.83Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.05Å; F112-I115 PolarHBondContact O-N 3.24Å; F112-I116 HydrophobicContact CD1-CD1 3.99Å; F112-I116 HydrophobicContact CE1-CD1 3.42Å; F112-I116 VanDerWaalsContact CE1-CD1 3.42Å; F112-I116 HydrophobicContact CE2-CD1 4.15Å; F112-I116 HydrophobicContact CZ-CD1 3.53Å; F112-I116 HydrophobicContact CZ-CG1 4.47Å; F112-I116 PolarHBondContact O-N 2.99Å; F112-I116 VanDerWaalsContact O-N 3.16Å
113	V	88.9	Confident	85.4	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-59.6	-44.2	175.4	170.8	0	0	0	0	111.1	L98 F102 S109 R110 I115 I116 L117	L98-V113 HydrophobicContact CB-CG1 3.87Å; L98-V113 HydrophobicContact CB-CG2 4.35Å; L98-V113 HydrophobicContact CD1-CG1 4.34Å; F102-V113 HydrophobicContact CB-CG2 3.78Å; F102-V113 HydrophobicContact CD2-CG2 4.17Å; F102-V113 HydrophobicContact CG-CG2 4.24Å; S109-V113 WeakPolarHBondContact O-CG2 3.33Å; S109-V113 PolarHBondContact O-N 2.85Å; R110-V113 PolarHBondContact O-N 3.34Å; V113-I115 PolarHBondContact O-N 3.45Å; V113-I116 PolarHBondContact O-N 3.5Å; V113-L117 HydrophobicContact CG1-CD1 3.82Å; V113-L117 HydrophobicContact CG1-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CG 3.38Å; V113-L117 PolarHBondContact O-N 2.97Å
114	A	89.4	Confident	86.6	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-42.8	178.4	0	0	0	0	0	112.4	R110 T111 F112 I116 L117 H118 V266 R267	R110-A114 WeakPolarHBondContact O-CB 3.35Å; R110-A114 PolarHBondContact O-N 3.38Å; T111-A114 PolarHBondContact O-N 2.93Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-A114 PolarHBondContact O-N 3.05Å; A114-I116 PolarHBondContact O-N 3.15Å; A114-L117 PolarHBondContact O-N 3.28Å; A114-H118 PolarHBondContact O-CD2 2.77Å; A114-H118 VanDerWaalsContact O-CG 3.31Å; A114-H118 PolarHBondContact O-N 3.44Å; A114-V266 HydrophobicContact CB-CG1 4.1Å; A114-R267 HydrophobicContact CB-CG 3.99Å
115	I	91.4	Very high	87.9	Confident	61 Å²	61	49.1 Å²	49.1	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-46.2	176.4	-69.6	165.9	0	0	0	110.7	T111 F112 V113 L117 H118 I119 Y236 L239	T111-I115 HydrophobicContact CG2-CD1 4.07Å; T111-I115 WeakPolarHBondContact O-CG1 3.27Å; T111-I115 PolarHBondContact O-N 2.76Å; F112-I115 PolarHBondContact O-N 3.24Å; V113-I115 PolarHBondContact O-N 3.45Å; I115-L117 VanDerWaalsContact C-N 3.34Å; I115-L117 PolarHBondContact O-N 3.44Å; I115-H118 PolarHBondContact O-N 2.71Å; I115-I119 HydrophobicContact CG2-CD1 3.98Å; I115-I119 WeakPolarHBondContact O-CG1 3.5Å; I115-I119 PolarHBondContact O-N 3.06Å; I115-Y236 HydrophobicContact CG1-CD2 4.39Å; I115-Y236 HydrophobicContact CG1-CE2 4.24Å; I115-L239 HydrophobicContact CG1-CD2 4.39Å; I115-L239 HydrophobicContact CG2-CD2 4.15Å
116	I	93.3	Very high	89.3	Confident	55 Å²	55	45 Å²	45	28%	0.282	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-44.6	178	-65.1	173.5	0	0	0	110.6	L98 F112 V113 A114 H118 I119 F120	L98-I116 HydrophobicContact CD1-CB 4.07Å; L98-I116 HydrophobicContact CD1-CG2 3.62Å; L98-I116 HydrophobicContact CD2-CD1 4.35Å; F112-I116 HydrophobicContact CD1-CD1 3.99Å; F112-I116 HydrophobicContact CE1-CD1 3.42Å; F112-I116 VanDerWaalsContact CE1-CD1 3.42Å; F112-I116 HydrophobicContact CE2-CD1 4.15Å; F112-I116 HydrophobicContact CZ-CD1 3.53Å; F112-I116 HydrophobicContact CZ-CG1 4.47Å; F112-I116 PolarHBondContact O-N 2.99Å; F112-I116 VanDerWaalsContact O-N 3.16Å; V113-I116 PolarHBondContact O-N 3.5Å; A114-I116 PolarHBondContact O-N 3.15Å; I116-H118 VanDerWaalsContact C-N 3.31Å; I116-H118 PolarHBondContact O-N 3.25Å; I116-I119 PolarHBondContact O-N 3.5Å; I116-F120 WeakPolarHBondContact O-CB 3.31Å; I116-F120 PolarHBondContact O-N 2.89Å
117	L	94.4	Very high	90.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-34.9	179.2	-72.6	174.6	0	0	0	113	W91 V94 Q95 L98 V113 A114 I115 F120 S121 V266	W91-L117 HydrophobicContact CZ2-CB 4.07Å; W91-L117 HydrophobicContact CZ2-CD1 4.37Å; W91-L117 HydrophobicContact CZ2-CD2 4.18Å; W91-L117 HydrophobicContact CZ2-CG 4.45Å; W91-L117 PolarHBondContact NE1-O 3.23Å; W91-L117 VanDerWaalsContact NE1-O 3.08Å; V94-L117 HydrophobicContact CG1-CD2 4.14Å; Q95-L117 HydrophobicContact CB-CD1 4.19Å; Q95-L117 HydrophobicContact CB-CD2 3.84Å; Q95-L117 HydrophobicContact CG-CD1 3.95Å; L98-L117 HydrophobicContact CD1-CD2 3.89Å; L98-L117 HydrophobicContact CD1-CG 3.99Å; V113-L117 HydrophobicContact CG1-CD1 3.82Å; V113-L117 HydrophobicContact CG1-CG 4.32Å; V113-L117 WeakPolarHBondContact O-CG 3.38Å; V113-L117 PolarHBondContact O-N 2.97Å; A114-L117 PolarHBondContact O-N 3.28Å; I115-L117 VanDerWaalsContact C-N 3.34Å; I115-L117 PolarHBondContact O-N 3.44Å; L117-F120 PolarHBondContact O-N 3.12Å; L117-S121 WeakPolarHBondContact O-CB 3.1Å; L117-S121 PolarHBondContact O-N 2.98Å; L117-V266 HydrophobicContact CB-CG1 3.84Å; L117-V266 HydrophobicContact CD1-CG1 4.32Å
118	H	95.1	Very high	91.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.1	-49.3	172.8	-72.9	-51.5	0	0	0	111.4	A114 I115 I116 F120 S121 I122 Y236 L239 L240 S243	A114-H118 PolarHBondContact O-CD2 2.77Å; A114-H118 VanDerWaalsContact O-CG 3.31Å; A114-H118 PolarHBondContact O-N 3.44Å; I115-H118 PolarHBondContact O-N 2.71Å; I116-H118 VanDerWaalsContact C-N 3.31Å; I116-H118 PolarHBondContact O-N 3.25Å; H118-F120 VanDerWaalsContact C-N 3.27Å; H118-F120 PolarHBondContact O-N 2.9Å; H118-S121 PolarHBondContact O-N 3.27Å; H118-I122 VanDerWaalsContact O-CG1 3.29Å; H118-I122 WeakPolarHBondContact O-CG1 3.37Å; H118-I122 PolarHBondContact O-N 3.48Å; H118-Y236 AromaticContact NE2-CZ 3.89Å; H118-Y236 PolarHBondContact NE2-OH 3.3Å; H118-L239 HydrophobicContact CB-CD1 4.16Å; H118-L239 HydrophobicContact CB-CD2 4Å; H118-L239 HydrophobicContact CB-CG 3.82Å; H118-L240 VanDerWaalsContact CE1-CD1 3.47Å; H118-L240 WeakPolarHBondContact CE1-CD1 3.41Å; H118-S243 VanDerWaalsContact CA-OG 3.29Å; H118-S243 WeakPolarHBondContact CA-OG 3.42Å; H118-S243 VanDerWaalsContact ND1-CB 3.26Å; H118-S243 WeakPolarHBondContact ND1-CB 3.43Å; H118-S243 PolarHBondContact ND1-OG 2.87Å; H118-S243 PolarHBondContact O-OG 3.49Å
119	I	95.9	Very high	91.9	Very high	86 Å²	86	35.3 Å²	35.3	44%	0.441	18%	0.181	S	C	.	.	H	α-helix	trans	-58.2	-43.5	177	-66.4	167.7	0	0	0	110.4	I115 I116 S121 I122 C123 L239	I115-I119 HydrophobicContact CG2-CD1 3.98Å; I115-I119 WeakPolarHBondContact O-CG1 3.5Å; I115-I119 PolarHBondContact O-N 3.06Å; I116-I119 PolarHBondContact O-N 3.5Å; I119-S121 PolarHBondContact O-N 2.79Å; I119-I122 WeakPolarHBondContact O-CB 3.41Å; I119-I122 PolarHBondContact O-N 2.9Å; I119-C123 PolarHBondContact O-N 3.03Å; I119-C123 PolarHBondContact O-SG 3.36Å; I119-C123 VanDerWaalsContact O-SG 3.35Å; I119-L239 HydrophobicContact CG1-CD1 4.2Å
120	F	95.6	Very high	92.3	Very high	57 Å²	57	42 Å²	42	25%	0.25	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-41	179.6	-160.4	-107.8	0	0	0	112.5	I90 W91 V94 I116 L117 H118 I122 C123 L124	I90-F120 HydrophobicContact CB-CE1 4.47Å; I90-F120 HydrophobicContact CG2-CE1 3.64Å; I90-F120 HydrophobicContact CG2-CZ 3.48Å; I90-F120 VanDerWaalsContact CG2-CZ 3.48Å; W91-F120 HydrophobicContact CB-CD1 4.29Å; W91-F120 HydrophobicContact CB-CE1 4.43Å; W91-F120 AromaticContact CD1-CD1 3.81Å; W91-F120 HydrophobicContact CG-CD1 4.35Å; V94-F120 HydrophobicContact CB-CD1 4.25Å; V94-F120 HydrophobicContact CB-CE1 4.17Å; V94-F120 HydrophobicContact CG1-CD1 4.36Å; V94-F120 HydrophobicContact CG1-CG 4.47Å; V94-F120 HydrophobicContact CG2-CD1 4.2Å; V94-F120 HydrophobicContact CG2-CE1 3.69Å; V94-F120 HydrophobicContact CG2-CE2 4.34Å; V94-F120 HydrophobicContact CG2-CZ 3.79Å; I116-F120 WeakPolarHBondContact O-CB 3.31Å; I116-F120 PolarHBondContact O-N 2.89Å; L117-F120 PolarHBondContact O-N 3.12Å; H118-F120 VanDerWaalsContact C-N 3.27Å; H118-F120 PolarHBondContact O-N 2.9Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.08Å; F120-C123 PolarHBondContact O-N 3.17Å; F120-L124 HydrophobicContact CD1-CD1 3.61Å; F120-L124 HydrophobicContact CD1-CG 4.26Å; F120-L124 HydrophobicContact CE1-CD1 3.36Å; F120-L124 HydrophobicContact CE1-CD2 4.44Å; F120-L124 HydrophobicContact CE1-CG 4Å; F120-L124 HydrophobicContact CZ-CD1 4.14Å; F120-L124 HydrophobicContact CZ-CD2 4.44Å; F120-L124 HydrophobicContact CZ-CG 4.35Å; F120-L124 WeakPolarHBondContact O-CG 3.46Å; F120-L124 PolarHBondContact O-N 3.5Å
121	S	96.6	Very high	92.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-42.4	173.1	-170.7	0	0	0	0	111.6	L117 H118 I119 L124 G125 S243 Y262	L117-S121 WeakPolarHBondContact O-CB 3.1Å; L117-S121 PolarHBondContact O-N 2.98Å; H118-S121 PolarHBondContact O-N 3.27Å; I119-S121 PolarHBondContact O-N 2.79Å; S121-L124 PolarHBondContact O-N 3.29Å; S121-G125 PolarHBondContact O-N 3.33Å; S121-S243 WeakPolarHBondContact CB-OG 3.46Å; S121-S243 PolarHBondContact OG-O 3.05Å; S121-Y262 PolarHBondContact OG-OH 2.97Å; S121-Y262 VanDerWaalsContact OG-OH 3.07Å
122	I	97	Very high	93	Very high	24 Å²	24	42.8 Å²	42.8	12%	0.123	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-49.4	177.1	-67	164.7	0	0	0	110.6	H118 I119 F120 L124 G125 L126 L239 L242 L246	H118-I122 VanDerWaalsContact O-CG1 3.29Å; H118-I122 WeakPolarHBondContact O-CG1 3.37Å; H118-I122 PolarHBondContact O-N 3.48Å; I119-I122 WeakPolarHBondContact O-CB 3.41Å; I119-I122 PolarHBondContact O-N 2.9Å; F120-I122 VanDerWaalsContact C-N 3.33Å; F120-I122 PolarHBondContact O-N 3.08Å; I122-L124 PolarHBondContact O-N 2.93Å; I122-G125 PolarHBondContact O-N 3.22Å; I122-L126 HydrophobicContact CG2-CD1 3.98Å; I122-L126 HydrophobicContact CG2-CG 4.43Å; I122-L126 VanDerWaalsContact O-CG 3.32Å; I122-L126 WeakPolarHBondContact O-CG 3.15Å; I122-L126 PolarHBondContact O-N 3.27Å; I122-L239 HydrophobicContact CD1-CD1 3.59Å; I122-L242 HydrophobicContact CD1-CB 3.63Å; I122-L242 HydrophobicContact CD1-CD1 4.41Å; I122-L242 HydrophobicContact CG1-CB 4Å; I122-L246 HydrophobicContact CG2-CD1 3.94Å
123	C	97.1	Very high	92	Very high	72 Å²	72	42.2 Å²	42.2	49%	0.486	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-44.9	179.4	-67.8	0	0	0	0	112.2	I119 F120 L127	I119-C123 PolarHBondContact O-N 3.03Å; I119-C123 PolarHBondContact O-SG 3.36Å; I119-C123 VanDerWaalsContact O-SG 3.35Å; F120-C123 PolarHBondContact O-N 3.17Å; C123-L127 WeakPolarHBondContact O-CB 3.29Å; C123-L127 PolarHBondContact O-N 3.06Å
124	L	96.9	Very high	91.2	Very high	13 Å²	13	43 Å²	43	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-39.5	178.1	-71.1	174.9	0	0	0	112.6	S87 W91 F120 S121 I122 L127 V128 P248	S87-L124 VanDerWaalsContact O-CD1 3.22Å; S87-L124 WeakPolarHBondContact O-CD1 3.37Å; W91-L124 HydrophobicContact CB-CD1 3.76Å; W91-L124 HydrophobicContact CG-CD1 4.48Å; F120-L124 HydrophobicContact CD1-CD1 3.61Å; F120-L124 HydrophobicContact CD1-CG 4.26Å; F120-L124 HydrophobicContact CE1-CD1 3.36Å; F120-L124 HydrophobicContact CE1-CD2 4.44Å; F120-L124 HydrophobicContact CE1-CG 4Å; F120-L124 HydrophobicContact CZ-CD1 4.14Å; F120-L124 HydrophobicContact CZ-CD2 4.44Å; F120-L124 HydrophobicContact CZ-CG 4.35Å; F120-L124 WeakPolarHBondContact O-CG 3.46Å; F120-L124 PolarHBondContact O-N 3.5Å; S121-L124 PolarHBondContact O-N 3.29Å; I122-L124 PolarHBondContact O-N 2.93Å; L124-L127 WeakPolarHBondContact O-CB 3.16Å; L124-L127 PolarHBondContact O-N 3.21Å; L124-V128 WeakPolarHBondContact O-CG2 3.29Å; L124-V128 PolarHBondContact O-N 2.87Å; L124-P248 HydrophobicContact CB-CG 4.21Å
125	G	95.5	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-43.7	174.8	0	0	0	0	0	113.2	S121 I122 L127 V128 L129 L246	S121-G125 PolarHBondContact O-N 3.33Å; I122-G125 PolarHBondContact O-N 3.22Å; G125-L127 VanDerWaalsContact C-N 3.32Å; G125-L127 PolarHBondContact O-N 3.12Å; G125-V128 PolarHBondContact O-N 3.03Å; G125-L129 WeakPolarHBondContact O-CB 3.36Å; G125-L129 PolarHBondContact O-N 3.06Å; G125-L246 WeakPolarHBondContact CA-O 3.31Å
126	L	94	Very high	90.4	Very high	74 Å²	74	45.4 Å²	45.4	39%	0.387	23%	0.233	S	C	.	.	H	α-helix	trans	-63.9	-38	175	-69.2	174.6	0	0	0	111.9	I122 L129 Y130 I141 L246	I122-L126 HydrophobicContact CG2-CD1 3.98Å; I122-L126 HydrophobicContact CG2-CG 4.43Å; I122-L126 VanDerWaalsContact O-CG 3.32Å; I122-L126 WeakPolarHBondContact O-CG 3.15Å; I122-L126 PolarHBondContact O-N 3.27Å; L126-L129 PolarHBondContact O-N 3.02Å; L126-Y130 WeakPolarHBondContact O-CB 3.45Å; L126-Y130 PolarHBondContact O-N 2.64Å; L126-I141 HydrophobicContact CD2-CD1 3.63Å; L126-L246 HydrophobicContact CD2-CD1 3.96Å; L126-L246 HydrophobicContact CD2-CD2 4.12Å; L126-L246 HydrophobicContact CG-CD1 4.1Å
127	L	93.9	Very high	90	Very high	68 Å²	68	49.7 Å²	49.7	36%	0.356	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-47.8	174.5	-175.6	69.9	0	0	0	111.6	L83 C123 L124 G125 Y130 Y131	L83-L127 HydrophobicContact CD1-CD2 4.33Å; C123-L127 WeakPolarHBondContact O-CB 3.29Å; C123-L127 PolarHBondContact O-N 3.06Å; L124-L127 WeakPolarHBondContact O-CB 3.16Å; L124-L127 PolarHBondContact O-N 3.21Å; G125-L127 VanDerWaalsContact C-N 3.32Å; G125-L127 PolarHBondContact O-N 3.12Å; L127-Y130 PolarHBondContact O-N 3.08Å; L127-Y131 HydrophobicContact CD1-CD2 3.95Å; L127-Y131 HydrophobicContact CD1-CE2 3.56Å; L127-Y131 HydrophobicContact CG-CD2 4.09Å; L127-Y131 HydrophobicContact CG-CE2 4.09Å; L127-Y131 WeakPolarHBondContact O-CD2 3Å; L127-Y131 PolarHBondContact O-N 3.49Å; L127-Y131 VanDerWaalsContact O-N 3.16Å
128	V	93.6	Very high	89.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-46	176.2	166.3	0	0	0	0	110.8	L83 I84 L124 G125 Y130 Y131 A132 P248 L252	L83-V128 HydrophobicContact CD2-CG2 4.44Å; L83-V128 HydrophobicContact CG-CG2 4.23Å; I84-V128 HydrophobicContact CD1-CG1 4.48Å; I84-V128 HydrophobicContact CG1-CG1 3.79Å; I84-V128 HydrophobicContact CG1-CG2 4.28Å; L124-V128 WeakPolarHBondContact O-CG2 3.29Å; L124-V128 PolarHBondContact O-N 2.87Å; G125-V128 PolarHBondContact O-N 3.03Å; V128-Y130 VanDerWaalsContact C-N 3.35Å; V128-Y130 PolarHBondContact O-N 3.19Å; V128-Y131 PolarHBondContact O-N 3.4Å; V128-A132 WeakPolarHBondContact O-CB 3.47Å; V128-A132 PolarHBondContact O-N 3.07Å; V128-P248 HydrophobicContact CG2-CB 4.05Å; V128-L252 HydrophobicContact CG1-CD1 3.49Å; V128-L252 VanDerWaalsContact CG1-CD1 3.49Å; V128-L252 HydrophobicContact CG1-CG 4.03Å
129	L	91.3	Very high	89.5	Confident	3 Å²	3	56 Å²	56	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-39.8	179.4	-172.8	63.3	0	0	0	112.6	G125 L126 A132 Y134 V140 I141 L251 L252	G125-L129 WeakPolarHBondContact O-CB 3.36Å; G125-L129 PolarHBondContact O-N 3.06Å; L126-L129 PolarHBondContact O-N 3.02Å; L129-A132 PolarHBondContact O-N 2.99Å; L129-Y134 HydrophobicContact CD1-CD2 4.36Å; L129-V140 HydrophobicContact CD1-CG1 4.34Å; L129-V140 HydrophobicContact CD2-CG1 4.27Å; L129-I141 HydrophobicContact CD2-CD1 3.45Å; L129-I141 VanDerWaalsContact CD2-CD1 3.45Å; L129-I141 HydrophobicContact CD2-CG1 3.8Å; L129-L251 HydrophobicContact CB-CD2 3.96Å; L129-L251 HydrophobicContact CD1-CD2 4.33Å; L129-L252 HydrophobicContact CD1-CD2 4.25Å
130	Y	90.1	Very high	89.3	Confident	170 Å²	170	51.9 Å²	51.9	67%	0.667	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-48.4	177.3	175	-101.5	0	0	0	111.4	L126 L127 V128 S133	L126-Y130 WeakPolarHBondContact O-CB 3.45Å; L126-Y130 PolarHBondContact O-N 2.64Å; L127-Y130 PolarHBondContact O-N 3.08Å; V128-Y130 VanDerWaalsContact C-N 3.35Å; V128-Y130 PolarHBondContact O-N 3.19Å; Y130-S133 PolarHBondContact O-N 3.43Å; Y130-S133 VanDerWaalsContact O-N 3.14Å; Y130-S133 PolarHBondContact O-OG 3.23Å
131	Y	90	Very high	89.2	Confident	95 Å²	95	50.6 Å²	50.6	37%	0.373	24%	0.244	S	C	.	.	H	α-helix	trans	-77.4	-21.5	-178.5	-77.6	-54.9	0	0	0	114.4	W79 L83 L127 V128 S133	W79-Y131 AromaticContact CH2-CD1 3.31Å; W79-Y131 HydrophobicContact CH2-CD1 3.31Å; W79-Y131 AromaticContact CH2-CE1 3.99Å; W79-Y131 HydrophobicContact CH2-CE1 3.99Å; W79-Y131 AromaticContact CH2-CG 3.62Å; W79-Y131 HydrophobicContact CH2-CG 3.62Å; W79-Y131 AromaticContact CZ2-CD1 3.96Å; W79-Y131 HydrophobicContact CZ2-CD1 3.96Å; W79-Y131 HydrophobicContact CZ2-CE1 4.2Å; W79-Y131 HydrophobicContact CZ2-CG 4.32Å; W79-Y131 HydrophobicContact CZ3-CD1 4.3Å; W79-Y131 HydrophobicContact CZ3-CG 4.33Å; L83-Y131 HydrophobicContact CD1-CD2 4.26Å; L83-Y131 HydrophobicContact CD2-CD2 3.55Å; L83-Y131 HydrophobicContact CD2-CG 3.85Å; L127-Y131 HydrophobicContact CD1-CD2 3.95Å; L127-Y131 HydrophobicContact CD1-CE2 3.56Å; L127-Y131 HydrophobicContact CG-CD2 4.09Å; L127-Y131 HydrophobicContact CG-CE2 4.09Å; L127-Y131 WeakPolarHBondContact O-CD2 3Å; L127-Y131 PolarHBondContact O-N 3.49Å; L127-Y131 VanDerWaalsContact O-N 3.16Å; V128-Y131 PolarHBondContact O-N 3.4Å; Y131-S133 PolarHBondContact O-N 2.9Å
132	A	86.8	Confident	89	Confident	16 Å²	16	52 Å²	52	13%	0.132	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-16	167.2	0	0	0	0	0	112.8	L80 V128 L129 Y134 L252	L80-A132 HydrophobicContact CD1-CB 4.17Å; L80-A132 HydrophobicContact CD2-CB 4.3Å; V128-A132 WeakPolarHBondContact O-CB 3.47Å; V128-A132 PolarHBondContact O-N 3.07Å; L129-A132 PolarHBondContact O-N 2.99Å; A132-Y134 HydrophobicContact CB-CD2 4.1Å; A132-Y134 HydrophobicContact CB-CE2 3.63Å; A132-Y134 PolarHBondContact O-N 3.36Å; A132-L252 HydrophobicContact CB-CD1 3.47Å; A132-L252 VanDerWaalsContact CB-CD1 3.47Å; A132-L252 HydrophobicContact CB-CD2 4.09Å; A132-L252 HydrophobicContact CB-CG 4.45Å
133	S	65.5	Low	88.9	Confident	89 Å²	89	51 Å²	51	62%	0.622	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	56.1	166.5	-72.6	0	0	0	0	113.5	Y130 Y131	Y130-S133 PolarHBondContact O-N 3.43Å; Y130-S133 VanDerWaalsContact O-N 3.14Å; Y130-S133 PolarHBondContact O-OG 3.23Å; Y131-S133 PolarHBondContact O-N 2.9Å
134	Y	72.5	Confident	88.8	Confident	19 Å²	19	47.8 Å²	47.8	8%	0.075	23%	0.232	C	C	.	.			trans	-81.4	129.4	166.1	-56.6	-65.8	0	0	0	109.6	L129 A132 L136 W137 Q196 I197 L252	L129-Y134 HydrophobicContact CD1-CD2 4.36Å; A132-Y134 HydrophobicContact CB-CD2 4.1Å; A132-Y134 HydrophobicContact CB-CE2 3.63Å; A132-Y134 PolarHBondContact O-N 3.36Å; Y134-L136 PolarHBondContact O-N 3.43Å; Y134-W137 VanDerWaalsContact O-CD1 3.23Å; Y134-W137 PolarHBondContact O-N 3.49Å; Y134-Q196 HydrophobicContact CD1-CB 3.82Å; Y134-Q196 HydrophobicContact CE1-CB 3.9Å; Y134-Q196 WeakPolarHBondContact CE1-O 3.48Å; Y134-I197 VanDerWaalsContact CB-CG2 3.4Å; Y134-I197 HydrophobicContact CD1-CG2 3.62Å; Y134-I197 HydrophobicContact CD2-CG2 3.8Å; Y134-I197 HydrophobicContact CE1-CG2 4.3Å; Y134-I197 HydrophobicContact CE2-CG2 4.43Å; Y134-I197 HydrophobicContact CG-CG2 3.32Å; Y134-L252 HydrophobicContact CE2-CD2 3.63Å
135	D	80.1	Confident	88.7	Confident	99 Å²	99	51.4 Å²	51.4	53%	0.529	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-15.7	168.7	-76.2	-19.8	0	0	0	113.4	K193	D135-K193 HydrophobicContact CB-CD 3.9Å; D135-K193 WeakPolarHBondContact OD2-CE 3.21Å; D135-K193 IonicContact OD2-NZ 2.86Å; D135-K193 PolarHBondContact OD2-NZ 2.55Å
136	L	83.6	Confident	88.7	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.068	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	20.2	-177.6	-60.9	-178.5	0	0	0	113.6	Y134 W138 I139 K189 K193 I197	Y134-L136 PolarHBondContact O-N 3.43Å; L136-W138 HydrophobicContact CD2-CZ2 4.32Å; L136-W138 PolarHBondContact O-N 3.27Å; L136-W138 VanDerWaalsContact O-N 3.08Å; L136-I139 HydrophobicContact CB-CD1 4.11Å; L136-I139 HydrophobicContact CB-CG1 4.43Å; L136-I139 HydrophobicContact CD1-CD1 4.25Å; L136-I139 HydrophobicContact CD2-CD1 4.03Å; L136-I139 HydrophobicContact CG-CD1 4.36Å; L136-I139 WeakPolarHBondContact O-CB 3.37Å; L136-I139 PolarHBondContact O-N 2.95Å; L136-K189 HydrophobicContact CD1-CB 4.38Å; L136-K189 HydrophobicContact CD1-CG 4.43Å; L136-K189 HydrophobicContact CD2-CD 4.35Å; L136-K193 HydrophobicContact CD1-CB 3.66Å; L136-K193 HydrophobicContact CG-CB 4.11Å; L136-I197 HydrophobicContact CB-CD1 3.7Å; L136-I197 HydrophobicContact CB-CG2 4.22Å; L136-I197 HydrophobicContact CD1-CD1 3.91Å; L136-I197 HydrophobicContact CD1-CG1 4.48Å; L136-I197 HydrophobicContact CG-CD1 4.48Å
137	W	84.7	Confident	88.8	Confident	145 Å²	145	51 Å²	51	55%	0.549	25%	0.251	S	S	.	.	H	α-helix	trans	-54.1	-31.3	179.4	69.5	-96.3	0	0	0	113.3	Y134 I139 V140 I141	Y134-W137 VanDerWaalsContact O-CD1 3.23Å; Y134-W137 PolarHBondContact O-N 3.49Å; W137-I139 VanDerWaalsContact C-N 3.28Å; W137-I139 PolarHBondContact O-N 2.89Å; W137-V140 WeakPolarHBondContact O-CB 3.24Å; W137-V140 PolarHBondContact O-N 3.28Å; W137-I141 HydrophobicContact CE3-CB 4.35Å; W137-I141 HydrophobicContact CE3-CG1 3.79Å; W137-I141 HydrophobicContact CZ3-CB 4.41Å; W137-I141 HydrophobicContact CZ3-CG1 4.06Å; W137-I141 PolarHBondContact O-N 2.68Å
138	W	88.2	Confident	88.8	Confident	120 Å²	120	48.6 Å²	48.6	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-28.3	178.4	62.7	-91.6	0	0	0	113.1	L136 G142	L136-W138 HydrophobicContact CD2-CZ2 4.32Å; L136-W138 PolarHBondContact O-N 3.27Å; L136-W138 VanDerWaalsContact O-N 3.08Å; W138-G142 PolarHBondContact O-N 3.1Å
139	I	91.6	Very high	88.8	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-67.4	-45.2	174.4	-61	-177.6	0	0	0	109.5	L136 W137 G142 L143 V181 K189 I201	L136-I139 HydrophobicContact CB-CD1 4.11Å; L136-I139 HydrophobicContact CB-CG1 4.43Å; L136-I139 HydrophobicContact CD1-CD1 4.25Å; L136-I139 HydrophobicContact CD2-CD1 4.03Å; L136-I139 HydrophobicContact CG-CD1 4.36Å; L136-I139 WeakPolarHBondContact O-CB 3.37Å; L136-I139 PolarHBondContact O-N 2.95Å; W137-I139 VanDerWaalsContact C-N 3.28Å; W137-I139 PolarHBondContact O-N 2.89Å; I139-G142 PolarHBondContact O-N 3.22Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 PolarHBondContact O-N 2.95Å; I139-V181 HydrophobicContact CG2-CG1 4.01Å; I139-K189 HydrophobicContact CD1-CD 4.39Å; I139-K189 HydrophobicContact CD1-CG 4.35Å; I139-I201 HydrophobicContact CG2-CD1 4.31Å
140	V	91.6	Very high	88.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-49.5	179.2	-178.7	0	0	0	0	110.2	L129 W137 L143 I144 I197 I201 I204	L129-V140 HydrophobicContact CD1-CG1 4.34Å; L129-V140 HydrophobicContact CD2-CG1 4.27Å; W137-V140 WeakPolarHBondContact O-CB 3.24Å; W137-V140 PolarHBondContact O-N 3.28Å; V140-L143 PolarHBondContact O-N 3.14Å; V140-I144 HydrophobicContact CG1-CD1 4.03Å; V140-I144 VanDerWaalsContact O-CG1 3.3Å; V140-I144 WeakPolarHBondContact O-CG1 3.26Å; V140-I144 PolarHBondContact O-N 3.17Å; V140-I197 HydrophobicContact CG2-CB 4.41Å; V140-I201 HydrophobicContact CG2-CD1 4.28Å; V140-I201 HydrophobicContact CG2-CG1 4.18Å; V140-I204 HydrophobicContact CG1-CD1 3.54Å
141	I	92	Very high	88.8	Confident	30 Å²	30	46.1 Å²	46.1	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-41.9	176.8	-68.8	-58.4	0	0	0	111.7	L126 L129 W137 L143 I144 I145	L126-I141 HydrophobicContact CD2-CD1 3.63Å; L129-I141 HydrophobicContact CD2-CD1 3.45Å; L129-I141 VanDerWaalsContact CD2-CD1 3.45Å; L129-I141 HydrophobicContact CD2-CG1 3.8Å; W137-I141 HydrophobicContact CE3-CB 4.35Å; W137-I141 HydrophobicContact CE3-CG1 3.79Å; W137-I141 HydrophobicContact CZ3-CB 4.41Å; W137-I141 HydrophobicContact CZ3-CG1 4.06Å; W137-I141 PolarHBondContact O-N 2.68Å; I141-L143 PolarHBondContact O-N 3.17Å; I141-I144 PolarHBondContact O-N 3.23Å; I141-I145 HydrophobicContact CG2-CD1 3.56Å; I141-I145 HydrophobicContact CG2-CG1 4.2Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.21Å; I141-I145 PolarHBondContact O-N 2.9Å
142	G	93.6	Very high	88.6	Confident	31 Å²	31	42.8 Å²	42.8	32%	0.32	23%	0.226	S	C	.	.	H	α-helix	trans	-56.9	-49.1	176	0	0	0	0	0	112	W138 I139 I144 I145 T146	W138-G142 PolarHBondContact O-N 3.1Å; I139-G142 PolarHBondContact O-N 3.22Å; G142-I144 PolarHBondContact O-N 3.41Å; G142-I145 PolarHBondContact O-N 3.41Å; G142-T146 PolarHBondContact O-N 2.86Å; G142-T146 PolarHBondContact O-OG1 2.93Å; G142-T146 VanDerWaalsContact O-OG1 3.05Å
143	L	94.9	Very high	88.4	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-58.6	-46.9	175.3	176.3	61.7	0	0	0	111.6	I139 V140 I141 I145 T146 L147 I177 V181 I204	I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 PolarHBondContact O-N 2.95Å; V140-L143 PolarHBondContact O-N 3.14Å; I141-L143 PolarHBondContact O-N 3.17Å; L143-I145 PolarHBondContact O-N 2.85Å; L143-T146 PolarHBondContact O-N 3.4Å; L143-L147 HydrophobicContact CD1-CD1 3.71Å; L143-L147 HydrophobicContact CD1-CG 4.01Å; L143-L147 HydrophobicContact CG-CD1 3.86Å; L143-L147 WeakPolarHBondContact O-CB 3.39Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.23Å; L143-L147 PolarHBondContact O-N 3.4Å; L143-I177 HydrophobicContact CD1-CG2 3.89Å; L143-V181 HydrophobicContact CD1-CG2 4.16Å; L143-V181 HydrophobicContact CD2-CG1 4.49Å; L143-I204 HydrophobicContact CD2-CG2 3.88Å; L143-I204 HydrophobicContact CG-CG2 4.31Å
144	I	95.2	Very high	88.8	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-45.6	179.1	-71.5	169.8	0	0	0	111.2	V140 I141 G142 L147 T148 I204 L242 L246	V140-I144 HydrophobicContact CG1-CD1 4.03Å; V140-I144 VanDerWaalsContact O-CG1 3.3Å; V140-I144 WeakPolarHBondContact O-CG1 3.26Å; V140-I144 PolarHBondContact O-N 3.17Å; I141-I144 PolarHBondContact O-N 3.23Å; G142-I144 PolarHBondContact O-N 3.41Å; I144-L147 PolarHBondContact O-N 3.38Å; I144-T148 WeakPolarHBondContact O-CB 3.35Å; I144-T148 PolarHBondContact O-N 2.87Å; I144-T148 PolarHBondContact O-OG1 3.04Å; I144-I204 HydrophobicContact CD1-CD1 3.98Å; I144-I204 HydrophobicContact CG1-CD1 4.13Å; I144-L242 HydrophobicContact CG2-CD2 3.54Å; I144-L246 HydrophobicContact CD1-CD2 3.69Å; I144-L246 HydrophobicContact CD1-CG 4.21Å
145	I	94.9	Very high	88.2	Confident	89 Å²	89	43.6 Å²	43.6	46%	0.456	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-47.3	179.4	-68.6	169.5	0	0	0	110.4	I141 G142 L143 L147 T148 L149	I141-I145 HydrophobicContact CG2-CD1 3.56Å; I141-I145 HydrophobicContact CG2-CG1 4.2Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.21Å; I141-I145 PolarHBondContact O-N 2.9Å; G142-I145 PolarHBondContact O-N 3.41Å; L143-I145 PolarHBondContact O-N 2.85Å; I145-L147 VanDerWaalsContact C-N 3.33Å; I145-L147 PolarHBondContact O-N 2.91Å; I145-T148 WeakPolarHBondContact O-CB 3.43Å; I145-T148 PolarHBondContact O-N 2.88Å; I145-T148 VanDerWaalsContact O-N 3.13Å; I145-L149 HydrophobicContact CG2-CD1 4.28Å; I145-L149 WeakPolarHBondContact O-CG 3.47Å; I145-L149 PolarHBondContact O-N 3.37Å
146	T	95.4	Very high	86.9	Confident	67 Å²	67	44.9 Å²	44.9	41%	0.411	23%	0.228	S	C	.	.	H	α-helix	trans	-58.5	-45.1	178.2	-60.6	0	0	0	0	111.6	G142 L143 L149 L150 I177	G142-T146 PolarHBondContact O-N 2.86Å; G142-T146 PolarHBondContact O-OG1 2.93Å; G142-T146 VanDerWaalsContact O-OG1 3.05Å; L143-T146 PolarHBondContact O-N 3.4Å; T146-L149 PolarHBondContact O-N 3.42Å; T146-L150 PolarHBondContact O-N 3.35Å; T146-I177 HydrophobicContact CG2-CD1 4.07Å; T146-I177 HydrophobicContact CG2-CG2 4.22Å
147	L	95.3	Very high	85.5	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-36.4	176.2	-69.6	171.5	0	0	0	112.2	L143 I144 I145 L149 L150 F151 T174 I204 C208 W241	L143-L147 HydrophobicContact CD1-CD1 3.71Å; L143-L147 HydrophobicContact CD1-CG 4.01Å; L143-L147 HydrophobicContact CG-CD1 3.86Å; L143-L147 WeakPolarHBondContact O-CB 3.39Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.23Å; L143-L147 PolarHBondContact O-N 3.4Å; I144-L147 PolarHBondContact O-N 3.38Å; I145-L147 VanDerWaalsContact C-N 3.33Å; I145-L147 PolarHBondContact O-N 2.91Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 3.12Å; L147-L150 HydrophobicContact CD2-CD2 4.5Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 3.37Å; L147-F151 HydrophobicContact CB-CD2 4.36Å; L147-F151 HydrophobicContact CB-CE2 4.02Å; L147-F151 HydrophobicContact CD2-CE2 4.46Å; L147-F151 HydrophobicContact CD2-CZ 4.45Å; L147-F151 WeakPolarHBondContact O-CD2 3.39Å; L147-F151 WeakPolarHBondContact O-CG 3.22Å; L147-F151 PolarHBondContact O-N 2.94Å; L147-T174 HydrophobicContact CD2-CG2 4.09Å; L147-I204 HydrophobicContact CD1-CG2 4.25Å; L147-C208 HydrophobicContact CD1-CB 3.77Å; L147-C208 HydrophobicContact CD2-CB 4.34Å; L147-W241 HydrophobicContact CB-CZ2 3.96Å; L147-W241 HydrophobicContact CD1-CH2 4.33Å; L147-W241 HydrophobicContact CD1-CZ2 3.65Å; L147-W241 HydrophobicContact CG-CZ2 4.46Å
148	T	93.6	Very high	84	Confident	17 Å²	17	41.5 Å²	41.5	10%	0.104	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-44.9	174.4	-55.3	0	0	0	0	110.9	I144 I145 F151 T152 L242	I144-T148 WeakPolarHBondContact O-CB 3.35Å; I144-T148 PolarHBondContact O-N 2.87Å; I144-T148 PolarHBondContact O-OG1 3.04Å; I145-T148 WeakPolarHBondContact O-CB 3.43Å; I145-T148 PolarHBondContact O-N 2.88Å; I145-T148 VanDerWaalsContact O-N 3.13Å; T148-F151 PolarHBondContact O-N 2.82Å; T148-T152 HydrophobicContact CG2-CG2 4.28Å; T148-T152 WeakPolarHBondContact O-CB 3.48Å; T148-T152 WeakPolarHBondContact O-CG2 3.25Å; T148-T152 PolarHBondContact O-N 3.05Å; T148-T152 PolarHBondContact O-OG1 3.44Å; T148-L242 HydrophobicContact CG2-CD1 3.82Å; T148-L242 HydrophobicContact CG2-CD2 4.2Å; T148-L242 HydrophobicContact CG2-CG 3.74Å; T148-L242 WeakPolarHBondContact OG1-CD2 3.11Å; T148-L242 WeakPolarHBondContact OG1-CG 3.36Å
149	L	93	Very high	82.2	Confident	99 Å²	99	42.8 Å²	42.8	52%	0.518	24%	0.239	S	C	.	.	H	α-helix	trans	-62.1	-43.4	175.9	-66.9	173.7	0	0	0	111.2	I145 T146 L147 T152 I153	I145-L149 HydrophobicContact CG2-CD1 4.28Å; I145-L149 WeakPolarHBondContact O-CG 3.47Å; I145-L149 PolarHBondContact O-N 3.37Å; T146-L149 PolarHBondContact O-N 3.42Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 3.12Å; L149-T152 WeakPolarHBondContact CA-OG1 3.19Å; L149-T152 PolarHBondContact O-N 2.86Å; L149-T152 PolarHBondContact O-OG1 2.94Å; L149-I153 WeakPolarHBondContact O-CB 3.36Å; L149-I153 WeakPolarHBondContact O-CD1 3.38Å; L149-I153 WeakPolarHBondContact O-CG1 3.18Å; L149-I153 PolarHBondContact O-N 3.48Å
150	L	92.3	Very high	79.9	Confident	21 Å²	21	46.6 Å²	46.6	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-52.5	175.4	179.9	64.4	0	0	0	112	T146 L147 T152 I153 N154 W169 E170 V173 T174 I177	T146-L150 PolarHBondContact O-N 3.35Å; L147-L150 HydrophobicContact CD2-CD2 4.5Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 3.37Å; L150-T152 VanDerWaalsContact C-N 3.34Å; L150-T152 PolarHBondContact O-N 3.46Å; L150-I153 PolarHBondContact O-N 2.81Å; L150-N154 WeakPolarHBondContact O-CB 2.82Å; L150-N154 PolarHBondContact O-N 2.91Å; L150-W169 HydrophobicContact CD1-CH2 4.15Å; L150-W169 HydrophobicContact CD1-CZ3 3.85Å; L150-E170 HydrophobicContact CD2-CG 4.45Å; L150-E170 HydrophobicContact CG-CG 4.38Å; L150-V173 HydrophobicContact CD1-CB 4.42Å; L150-V173 HydrophobicContact CD1-CG1 3.82Å; L150-V173 HydrophobicContact CD2-CB 4.45Å; L150-V173 HydrophobicContact CD2-CG1 3.98Å; L150-T174 VanDerWaalsContact CD2-OG1 3.31Å; L150-T174 WeakPolarHBondContact CD2-OG1 3.35Å; L150-I177 HydrophobicContact CD2-CD1 4.17Å
151	F	89.8	Confident	77.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-25.8	-175.6	-63.1	-42.2	0	0	0	113.8	L147 T148 E170 T174 C208 F211 R237 W241	L147-F151 HydrophobicContact CB-CD2 4.36Å; L147-F151 HydrophobicContact CB-CE2 4.02Å; L147-F151 HydrophobicContact CD2-CE2 4.46Å; L147-F151 HydrophobicContact CD2-CZ 4.45Å; L147-F151 WeakPolarHBondContact O-CD2 3.39Å; L147-F151 WeakPolarHBondContact O-CG 3.22Å; L147-F151 PolarHBondContact O-N 2.94Å; T148-F151 PolarHBondContact O-N 2.82Å; F151-E170 HydrophobicContact CD1-CG 4.23Å; F151-E170 HydrophobicContact CE1-CG 4.14Å; F151-E170 WeakPolarHBondContact CE1-OE1 3.21Å; F151-T174 HydrophobicContact CZ-CG2 4.37Å; F151-C208 HydrophobicContact CE2-CB 4.18Å; F151-C208 HydrophobicContact CZ-CB 4.06Å; F151-F211 HydrophobicContact CB-CE1 4.05Å; F151-F211 HydrophobicContact CD1-CD1 4.01Å; F151-F211 HydrophobicContact CD1-CE1 4.29Å; F151-F211 AromaticContact CD2-CD1 3.76Å; F151-F211 HydrophobicContact CD2-CD1 3.76Å; F151-F211 AromaticContact CD2-CE1 3.99Å; F151-F211 HydrophobicContact CD2-CE1 3.99Å; F151-F211 HydrophobicContact CE1-CD1 4.11Å; F151-F211 AromaticContact CE2-CD1 3.84Å; F151-F211 HydrophobicContact CE2-CD1 3.84Å; F151-F211 AromaticContact CG-CD1 3.85Å; F151-F211 HydrophobicContact CG-CD1 3.85Å; F151-F211 AromaticContact CG-CE1 3.86Å; F151-F211 HydrophobicContact CG-CE1 3.86Å; F151-F211 HydrophobicContact CZ-CD1 4.02Å; F151-R237 WeakPolarHBondContact O-CD 3.46Å; F151-W241 HydrophobicContact CD2-CB 4.05Å; F151-W241 AromaticContact CD2-CD1 3.85Å; F151-W241 AromaticContact CD2-CD2 3.58Å; F151-W241 HydrophobicContact CD2-CD2 3.58Å; F151-W241 HydrophobicContact CD2-CE3 4.09Å; F151-W241 AromaticContact CD2-CG 3.52Å; F151-W241 HydrophobicContact CD2-CG 3.52Å; F151-W241 AromaticContact CE2-CD2 3.54Å; F151-W241 HydrophobicContact CE2-CD2 3.54Å; F151-W241 AromaticContact CE2-CE2 3.77Å; F151-W241 AromaticContact CE2-CE3 3.72Å; F151-W241 HydrophobicContact CE2-CE3 3.72Å; F151-W241 HydrophobicContact CE2-CG 4.02Å; F151-W241 HydrophobicContact CE2-CH2 4.39Å; F151-W241 HydrophobicContact CE2-CZ2 4.19Å; F151-W241 HydrophobicContact CE2-CZ3 4.16Å
152	T	86.2	Confident	75.6	Confident	26 Å²	26	54.8 Å²	54.8	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-75.2	-41.8	172.3	49.2	0	0	0	0	112.1	T148 L149 L150 P234	T148-T152 HydrophobicContact CG2-CG2 4.28Å; T148-T152 WeakPolarHBondContact O-CB 3.48Å; T148-T152 WeakPolarHBondContact O-CG2 3.25Å; T148-T152 PolarHBondContact O-N 3.05Å; T148-T152 PolarHBondContact O-OG1 3.44Å; L149-T152 WeakPolarHBondContact CA-OG1 3.19Å; L149-T152 PolarHBondContact O-N 2.86Å; L149-T152 PolarHBondContact O-OG1 2.94Å; L150-T152 VanDerWaalsContact C-N 3.34Å; L150-T152 PolarHBondContact O-N 3.46Å; T152-P234 WeakPolarHBondContact CG2-O 3.41Å; T152-P234 WeakPolarHBondContact O-CB 3.43Å
153	I	82.8	Confident	73.2	Confident	123 Å²	123	60.8 Å²	60.8	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-72.6	-37.5	-177	-67.7	167.5	0	0	0	111.3	L149 L150 I155	L149-I153 WeakPolarHBondContact O-CB 3.36Å; L149-I153 WeakPolarHBondContact O-CD1 3.38Å; L149-I153 WeakPolarHBondContact O-CG1 3.18Å; L149-I153 PolarHBondContact O-N 3.48Å; L150-I153 PolarHBondContact O-N 2.81Å; I153-I155 PolarHBondContact O-N 2.92Å
154	N	72.6	Confident	71	Confident	5 Å²	5	64 Å²	64	3%	0.027	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	31.8	-170.8	-169.6	24	0	0	0	115.4	L150 S157 W169 E170	L150-N154 WeakPolarHBondContact O-CB 2.82Å; L150-N154 PolarHBondContact O-N 2.91Å; N154-S157 WeakPolarHBondContact OD1-CB 3.46Å; N154-S157 PolarHBondContact OD1-OG 2.76Å; N154-W169 HydrophobicContact CB-CH2 3.93Å; N154-W169 HydrophobicContact CB-CZ2 3.76Å; N154-W169 WeakPolarHBondContact OD1-CZ2 3.48Å; N154-W169 PolarHBondContact OD1-NE1 3.36Å; N154-E170 HydrophobicContact CB-CG 4.49Å; N154-E170 WeakPolarHBondContact CB-OE2 3.31Å; N154-E170 WeakPolarHBondContact ND2-CB 3.42Å; N154-E170 VanDerWaalsContact ND2-CD 3.32Å; N154-E170 VanDerWaalsContact ND2-CG 3.25Å; N154-E170 WeakPolarHBondContact ND2-CG 3.47Å; N154-E170 PolarHBondContact ND2-OE2 2.95Å
155	I	61	Low	68.7	Low	12 Å²	12	71.9 Å²	71.9	6%	0.062	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-22.4	172.7	-61	-133.4	0	0	0	112.3	I153 S157 Y219 T233 P234 R237	I153-I155 PolarHBondContact O-N 2.92Å; I155-S157 PolarHBondContact O-N 3.38Å; I155-Y219 VanDerWaalsContact CA-OH 3.28Å; I155-Y219 WeakPolarHBondContact CA-OH 3.31Å; I155-Y219 HydrophobicContact CD1-CE1 4.2Å; I155-Y219 WeakPolarHBondContact CD1-OH 3.5Å; I155-Y219 WeakPolarHBondContact CG1-OH 3.39Å; I155-Y219 HydrophobicContact CG2-CE1 4.1Å; I155-T233 VanDerWaalsContact CD1-C 3.47Å; I155-T233 HydrophobicContact CD1-CG2 3.72Å; I155-T233 WeakPolarHBondContact CD1-O 3.45Å; I155-P234 HydrophobicContact CB-CB 4.32Å; I155-P234 HydrophobicContact CB-CG 3.93Å; I155-P234 HydrophobicContact CD1-CB 4.21Å; I155-P234 HydrophobicContact CD1-CG 4.23Å; I155-P234 HydrophobicContact CG1-CB 4.06Å; I155-P234 HydrophobicContact CG1-CG 4.15Å; I155-P234 HydrophobicContact CG2-CG 4.01Å; I155-R237 HydrophobicContact CD1-CB 3.77Å; I155-R237 HydrophobicContact CD1-CG 4.33Å
156	N	53.6	Low	66.7	Low	127 Å²	127	73.1 Å²	73.1	68%	0.679	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.8	-172.9	-73.5	-14.4	0	0	0	114.8
157	S	53.1	Low	64.8	Low	43 Å²	43	75.1 Å²	75.1	30%	0.301	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-24.6	-178.6	67	0	0	0	0	113.8	N154 I155 W169	N154-S157 WeakPolarHBondContact OD1-CB 3.46Å; N154-S157 PolarHBondContact OD1-OG 2.76Å; I155-S157 PolarHBondContact O-N 3.38Å; S157-W169 PolarHBondContact OG-NE1 2.85Å
158	D	52.6	Low	63.6	Low	43 Å²	43	77.8 Å²	77.8	23%	0.23	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-11	-174.9	-83	-45.6	0	0	0	115.1	S160 N215 Y219	D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 2.79Å; D158-N215 PolarHBondContact OD2-ND2 2.93Å; D158-Y219 HydrophobicContact CB-CE2 4.15Å; D158-Y219 WeakPolarHBondContact OD2-CE2 3.34Å
159	I	50.4	Low	63.1	Low	148 Å²	148	81.9 Å²	81.9	76%	0.759	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.6	174.7	-65.1	174	0	0	0	111.2
160	S	44.3	Very low	62.8	Low	91 Å²	91	77.2 Å²	77.2	64%	0.636	43%	0.425	S	S	*	.	S	Bend	trans	-96.1	-14.1	-164	-170.6	0	0	0	0	116.9	D158	D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 2.79Å
161	N	44.4	Very low	62.7	Low	85 Å²	85	77.5 Å²	77.5	46%	0.455	43%	0.427	S	S	.	.			trans	-125.7	89.4	-174.3	-76.3	-15.9	0	0	0	112.6	H163	N161-H163 PolarHBondContact O-N 3.06Å
162	S	48.5	Very low	62.7	Low	117 Å²	117	84.7 Å²	84.7	82%	0.818	46%	0.458	S	S	*	.			trans	-69.2	-3.8	162.3	64	0	0	0	0	113.3
163	H	42.7	Very low	63.1	Low	157 Å²	157	86.2 Å²	86.2	73%	0.727	47%	0.468	S	S	*	.	S	Bend	trans	-110.7	86.6	-178.2	-81.4	-85	0	0	0	111.6	N161 E165	N161-H163 PolarHBondContact O-N 3.06Å; H163-E165 VanDerWaalsContact C-N 3.27Å; H163-E165 PolarHBondContact O-N 3.01Å
164	G	48.5	Very low	63.6	Low	72 Å²	72	80.4 Å²	80.4	74%	0.742	44%	0.438	S	S	*	.	S	Bend	trans	60	-33.5	139.3	0	0	0	0	0	122.4
165	E	48.6	Very low	64.6	Low	167 Å²	167	83.5 Å²	83.5	78%	0.78	45%	0.454	S	S	*	.			trans	-113.6	84.6	-171.2	-70.7	-177.8	174.7	0	0	110.2	H163 T167	H163-E165 VanDerWaalsContact C-N 3.27Å; H163-E165 PolarHBondContact O-N 3.01Å; E165-T167 PolarHBondContact O-N 3.38Å
166	Y	51.7	Low	66.2	Low	115 Å²	115	84.5 Å²	84.5	45%	0.451	47%	0.467	S	S	.	.			trans	-72	96.7	172.6	-73.9	-87.6	0	0	0	109.6	N168	Y166-N168 PolarHBondContact O-N 3.2Å
167	T	55.1	Low	68.2	Low	109 Å²	109	80.3 Å²	80.3	67%	0.669	44%	0.444	S	S	*	.			trans	-74.7	101.9	161	44.1	0	0	0	0	108.3	E165 W169	E165-T167 PolarHBondContact O-N 3.38Å; T167-W169 PolarHBondContact O-N 3.21Å
168	N	72	Confident	70.2	Confident	56 Å²	56	78.3 Å²	78.3	30%	0.299	43%	0.43	S	S	.	.			trans	-70.8	63.3	175.5	-100.7	-16	0	0	0	110.8	Y166 E170 L171 F172	Y166-N168 PolarHBondContact O-N 3.2Å; N168-E170 PolarHBondContact O-N 3.25Å; N168-E170 VanDerWaalsContact O-N 3.16Å; N168-L171 HydrophobicContact CB-CB 4.02Å; N168-L171 WeakPolarHBondContact O-CB 3.48Å; N168-L171 PolarHBondContact O-N 3.12Å; N168-F172 VanDerWaalsContact O-CD2 3.31Å; N168-F172 WeakPolarHBondContact O-CD2 3.41Å; N168-F172 PolarHBondContact O-N 2.77Å
169	W	82.7	Confident	72.2	Confident	103 Å²	103	78.5 Å²	78.5	39%	0.39	43%	0.434	S	S	.	.	H	α-helix	trans	-55.7	-33.1	178.7	74.7	-95.3	0	0	0	111.7	L150 N154 S157 T167 L171 F172 V173	L150-W169 HydrophobicContact CD1-CH2 4.15Å; L150-W169 HydrophobicContact CD1-CZ3 3.85Å; N154-W169 HydrophobicContact CB-CH2 3.93Å; N154-W169 HydrophobicContact CB-CZ2 3.76Å; N154-W169 WeakPolarHBondContact OD1-CZ2 3.48Å; N154-W169 PolarHBondContact OD1-NE1 3.36Å; S157-W169 PolarHBondContact OG-NE1 2.85Å; T167-W169 PolarHBondContact O-N 3.21Å; W169-L171 VanDerWaalsContact C-N 3.26Å; W169-L171 PolarHBondContact O-N 2.76Å; W169-F172 PolarHBondContact O-N 2.63Å; W169-V173 HydrophobicContact CE3-CB 4.35Å; W169-V173 HydrophobicContact CE3-CG2 3.7Å; W169-V173 HydrophobicContact CZ3-CB 4.41Å; W169-V173 HydrophobicContact CZ3-CG2 3.98Å; W169-V173 WeakPolarHBondContact O-CG2 3.35Å; W169-V173 PolarHBondContact O-N 3.38Å
170	E	86.6	Confident	74.2	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.009	42%	0.424	C	S	.	.	H	α-helix	trans	-55	-43.6	174.5	-158.9	-176.7	82.3	0	0	112.2	L150 F151 N154 N168 V173 T174 S212 R237	L150-E170 HydrophobicContact CD2-CG 4.45Å; L150-E170 HydrophobicContact CG-CG 4.38Å; F151-E170 HydrophobicContact CD1-CG 4.23Å; F151-E170 HydrophobicContact CE1-CG 4.14Å; F151-E170 WeakPolarHBondContact CE1-OE1 3.21Å; N154-E170 HydrophobicContact CB-CG 4.49Å; N154-E170 WeakPolarHBondContact CB-OE2 3.31Å; N154-E170 WeakPolarHBondContact ND2-CB 3.42Å; N154-E170 VanDerWaalsContact ND2-CD 3.32Å; N154-E170 VanDerWaalsContact ND2-CG 3.25Å; N154-E170 WeakPolarHBondContact ND2-CG 3.47Å; N154-E170 PolarHBondContact ND2-OE2 2.95Å; N168-E170 PolarHBondContact O-N 3.25Å; N168-E170 VanDerWaalsContact O-N 3.16Å; E170-V173 PolarHBondContact O-N 3.39Å; E170-T174 VanDerWaalsContact O-CB 3.24Å; E170-T174 WeakPolarHBondContact O-CB 3.27Å; E170-T174 PolarHBondContact O-N 2.9Å; E170-T174 PolarHBondContact O-OG1 3.29Å; E170-S212 WeakPolarHBondContact CG-OG 3.09Å; E170-S212 VanDerWaalsContact OE1-CA 3.24Å; E170-S212 WeakPolarHBondContact OE1-CA 3.49Å; E170-S212 WeakPolarHBondContact OE1-CB 3.39Å; E170-S212 PolarHBondContact OE1-OG 2.93Å; E170-R237 IonicContact OE1-CZ 3.17Å; E170-R237 IonicContact OE1-NH2 3.39Å; E170-R237 PolarHBondContact OE1-NH2 2.86Å; E170-R237 IonicContact OE2-CZ 3.24Å; E170-R237 VanDerWaalsContact OE2-CZ 3.25Å; E170-R237 IonicContact OE2-NH1 2.77Å; E170-R237 PolarHBondContact OE2-NH1 3.13Å; E170-R237 IonicContact OE2-NH2 3.65Å; E170-R237 PolarHBondContact OE2-NH2 3.18Å
171	L	89.7	Confident	76.5	Confident	27 Å²	27	72.2 Å²	72.2	14%	0.141	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-45.5	-179.4	178.1	61.8	0	0	0	110.1	N168 W169 V173 T174 I175 I209 S212 M213	N168-L171 HydrophobicContact CB-CB 4.02Å; N168-L171 WeakPolarHBondContact O-CB 3.48Å; N168-L171 PolarHBondContact O-N 3.12Å; W169-L171 VanDerWaalsContact C-N 3.26Å; W169-L171 PolarHBondContact O-N 2.76Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 3.49Å; L171-T174 PolarHBondContact O-N 3.37Å; L171-I175 HydrophobicContact CD1-CD1 3.83Å; L171-I175 HydrophobicContact CD1-CG1 4.12Å; L171-I175 HydrophobicContact CG-CD1 3.81Å; L171-I175 HydrophobicContact CG-CG1 4.47Å; L171-I175 WeakPolarHBondContact O-CB 3.46Å; L171-I175 VanDerWaalsContact O-CG1 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.22Å; L171-I175 PolarHBondContact O-N 3Å; L171-I209 HydrophobicContact CD1-CG2 4.08Å; L171-S212 PolarHBondContact N-OG 3.22Å; L171-M213 HydrophobicContact CD1-CG 3.76Å; L171-M213 HydrophobicContact CD1-SD 4.2Å; L171-M213 HydrophobicContact CD2-CG 3.83Å; L171-M213 HydrophobicContact CD2-SD 4.06Å; L171-M213 HydrophobicContact CG-CG 4.37Å
172	F	90.7	Very high	78.8	Confident	151 Å²	151	69.2 Å²	69.2	66%	0.662	39%	0.386	S	S	*	.	H	α-helix	trans	-60.3	-44.1	177	-71.1	-72	0	0	0	111.9	N168 W169 G176	N168-F172 VanDerWaalsContact O-CD2 3.31Å; N168-F172 WeakPolarHBondContact O-CD2 3.41Å; N168-F172 PolarHBondContact O-N 2.77Å; W169-F172 PolarHBondContact O-N 2.63Å; F172-G176 PolarHBondContact O-N 3.41Å
173	V	92.8	Very high	80.9	Confident	58 Å²	58	67.2 Å²	67.2	35%	0.352	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-41.6	176.5	174.9	0	0	0	0	111.1	L150 W169 E170 L171 G176 I177	L150-V173 HydrophobicContact CD1-CB 4.42Å; L150-V173 HydrophobicContact CD1-CG1 3.82Å; L150-V173 HydrophobicContact CD2-CB 4.45Å; L150-V173 HydrophobicContact CD2-CG1 3.98Å; W169-V173 HydrophobicContact CE3-CB 4.35Å; W169-V173 HydrophobicContact CE3-CG2 3.7Å; W169-V173 HydrophobicContact CZ3-CB 4.41Å; W169-V173 HydrophobicContact CZ3-CG2 3.98Å; W169-V173 WeakPolarHBondContact O-CG2 3.35Å; W169-V173 PolarHBondContact O-N 3.38Å; E170-V173 PolarHBondContact O-N 3.39Å; L171-V173 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 3.49Å; V173-G176 PolarHBondContact O-N 3.32Å; V173-I177 HydrophobicContact CG1-CD1 3.76Å; V173-I177 HydrophobicContact CG1-CG1 4.41Å; V173-I177 VanDerWaalsContact O-CG1 3.32Å; V173-I177 WeakPolarHBondContact O-CG1 3.5Å; V173-I177 PolarHBondContact O-N 3.14Å
174	T	93.9	Very high	83.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-49.3	176.6	-61.4	0	0	0	0	111.2	L147 L150 F151 E170 L171 G176 I177 C178 C208	L147-T174 HydrophobicContact CD2-CG2 4.09Å; L150-T174 VanDerWaalsContact CD2-OG1 3.31Å; L150-T174 WeakPolarHBondContact CD2-OG1 3.35Å; F151-T174 HydrophobicContact CZ-CG2 4.37Å; E170-T174 VanDerWaalsContact O-CB 3.24Å; E170-T174 WeakPolarHBondContact O-CB 3.27Å; E170-T174 PolarHBondContact O-N 2.9Å; E170-T174 PolarHBondContact O-OG1 3.29Å; L171-T174 PolarHBondContact O-N 3.37Å; T174-G176 VanDerWaalsContact C-N 3.32Å; T174-G176 PolarHBondContact O-N 2.83Å; T174-I177 PolarHBondContact O-N 3.33Å; T174-C178 WeakPolarHBondContact O-CB 3.46Å; T174-C178 PolarHBondContact O-N 3.04Å; T174-C178 PolarHBondContact O-SG 2.99Å; T174-C208 HydrophobicContact CG2-CB 3.99Å; T174-C208 WeakPolarHBondContact CG2-SG 3.45Å
175	I	94.1	Very high	85.3	Confident	71 Å²	71	61 Å²	61	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-41.8	176.8	-68.8	168.2	0	0	0	110.3	L171 C178 S179 I209	L171-I175 HydrophobicContact CD1-CD1 3.83Å; L171-I175 HydrophobicContact CD1-CG1 4.12Å; L171-I175 HydrophobicContact CG-CD1 3.81Å; L171-I175 HydrophobicContact CG-CG1 4.47Å; L171-I175 WeakPolarHBondContact O-CB 3.46Å; L171-I175 VanDerWaalsContact O-CG1 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.22Å; L171-I175 PolarHBondContact O-N 3Å; I175-C178 PolarHBondContact O-N 2.97Å; I175-S179 WeakPolarHBondContact O-CB 3.2Å; I175-S179 PolarHBondContact O-N 3.42Å; I175-S179 PolarHBondContact O-OG 3.42Å; I175-I209 HydrophobicContact CG1-CD1 4.46Å; I175-I209 HydrophobicContact CG1-CG1 4.4Å
176	G	94.8	Very high	87.3	Confident	33 Å²	33	55.4 Å²	55.4	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-57.4	-53.4	176	0	0	0	0	0	112.1	F172 V173 T174 C178 S179 S180	F172-G176 PolarHBondContact O-N 3.41Å; V173-G176 PolarHBondContact O-N 3.32Å; T174-G176 VanDerWaalsContact C-N 3.32Å; T174-G176 PolarHBondContact O-N 2.83Å; G176-C178 PolarHBondContact O-N 3.4Å; G176-S179 PolarHBondContact O-N 2.85Å; G176-S180 WeakPolarHBondContact O-CB 3.45Å; G176-S180 PolarHBondContact O-N 2.9Å; G176-S180 PolarHBondContact O-OG 3.25Å
177	I	95.6	Very high	89.1	Confident	39 Å²	39	56.6 Å²	56.6	20%	0.2	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-48.1	178	-67.2	162.9	0	0	0	110.9	L143 T146 L150 V173 T174 S179 S180 V181	L143-I177 HydrophobicContact CD1-CG2 3.89Å; T146-I177 HydrophobicContact CG2-CD1 4.07Å; T146-I177 HydrophobicContact CG2-CG2 4.22Å; L150-I177 HydrophobicContact CD2-CD1 4.17Å; V173-I177 HydrophobicContact CG1-CD1 3.76Å; V173-I177 HydrophobicContact CG1-CG1 4.41Å; V173-I177 VanDerWaalsContact O-CG1 3.32Å; V173-I177 WeakPolarHBondContact O-CG1 3.5Å; V173-I177 PolarHBondContact O-N 3.14Å; T174-I177 PolarHBondContact O-N 3.33Å; I177-S179 PolarHBondContact O-N 3.47Å; I177-S180 PolarHBondContact O-N 3.38Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.15Å
178	C	95.2	Very high	90.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-41.6	-178.6	-68.2	0	0	0	0	112.4	T174 I175 G176 Q182 I205 C208	T174-C178 WeakPolarHBondContact O-CB 3.46Å; T174-C178 PolarHBondContact O-N 3.04Å; T174-C178 PolarHBondContact O-SG 2.99Å; I175-C178 PolarHBondContact O-N 2.97Å; G176-C178 PolarHBondContact O-N 3.4Å; C178-Q182 WeakPolarHBondContact O-CG 3.32Å; C178-Q182 PolarHBondContact O-N 3.4Å; C178-Q182 PolarHBondContact O-NE2 2.88Å; C178-Q182 VanDerWaalsContact O-NE2 3.13Å; C178-I205 HydrophobicContact CB-CG1 3.97Å; C178-I205 HydrophobicContact CB-CG2 4.09Å; C178-C208 PolarHBondContact SG-SG 2.73Å
179	S	93	Very high	91.7	Very high	46 Å²	46	59.3 Å²	59.3	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-44.6	175.9	-57.5	0	0	0	0	110.5	I175 G176 I177 V181 Q182 L183	I175-S179 WeakPolarHBondContact O-CB 3.2Å; I175-S179 PolarHBondContact O-N 3.42Å; I175-S179 PolarHBondContact O-OG 3.42Å; G176-S179 PolarHBondContact O-N 2.85Å; I177-S179 PolarHBondContact O-N 3.47Å; S179-V181 PolarHBondContact O-N 2.86Å; S179-Q182 PolarHBondContact O-N 3.14Å; S179-L183 WeakPolarHBondContact O-CB 3.34Å; S179-L183 WeakPolarHBondContact O-CG 3.37Å; S179-L183 PolarHBondContact O-N 3.04Å
180	S	93.7	Very high	92	Very high	77 Å²	77	58.6 Å²	58.6	54%	0.538	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-43.1	177.3	-63.6	0	0	0	0	112.7	G176 I177 Y184	G176-S180 WeakPolarHBondContact O-CB 3.45Å; G176-S180 PolarHBondContact O-N 2.9Å; G176-S180 PolarHBondContact O-OG 3.25Å; I177-S180 PolarHBondContact O-N 3.38Å; S180-Y184 WeakPolarHBondContact O-CB 3.33Å; S180-Y184 PolarHBondContact O-N 3.46Å
181	V	93.2	Very high	91.9	Very high	31 Å²	31	61 Å²	61	19%	0.188	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-42.9	178.2	171.6	0	0	0	0	111.5	I139 L143 I177 S179 Y184 C185	I139-V181 HydrophobicContact CG2-CG1 4.01Å; L143-V181 HydrophobicContact CD1-CG2 4.16Å; L143-V181 HydrophobicContact CD2-CG1 4.49Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.15Å; S179-V181 PolarHBondContact O-N 2.86Å; V181-Y184 PolarHBondContact O-N 3.37Å; V181-C185 WeakPolarHBondContact O-CB 3.4Å; V181-C185 PolarHBondContact O-N 3.47Å; V181-C185 PolarHBondContact O-SG 3.38Å
182	Q	92.1	Very high	91.7	Very high	22 Å²	22	61.8 Å²	61.8	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-50.8	176.3	-76	174.3	90.6	0	0	111.6	C178 S179 Y184 C185 E186 I201 I205 L430	C178-Q182 WeakPolarHBondContact O-CG 3.32Å; C178-Q182 PolarHBondContact O-N 3.4Å; C178-Q182 PolarHBondContact O-NE2 2.88Å; C178-Q182 VanDerWaalsContact O-NE2 3.13Å; S179-Q182 PolarHBondContact O-N 3.14Å; Q182-Y184 VanDerWaalsContact C-N 3.31Å; Q182-Y184 PolarHBondContact O-N 3.22Å; Q182-C185 PolarHBondContact O-N 3.35Å; Q182-C185 VanDerWaalsContact O-N 3.15Å; Q182-E186 WeakPolarHBondContact O-CB 3.5Å; Q182-E186 PolarHBondContact O-N 2.95Å; Q182-I201 HydrophobicContact CG-CG2 4.46Å; Q182-I205 HydrophobicContact CG-CD1 3.65Å; Q182-I205 VanDerWaalsContact NE2-CD1 3.29Å; Q182-L430 PolarHBondContact OE1-O 3.14Å
183	L	92.1	Very high	91.6	Very high	75 Å²	75	58.3 Å²	58.3	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-40.5	178.7	-65.4	171.1	0	0	0	111.4	S179 C185 E186 F187 L434	S179-L183 WeakPolarHBondContact O-CB 3.34Å; S179-L183 WeakPolarHBondContact O-CG 3.37Å; S179-L183 PolarHBondContact O-N 3.04Å; L183-C185 VanDerWaalsContact C-N 3.34Å; L183-C185 PolarHBondContact O-N 3.35Å; L183-E186 PolarHBondContact O-N 3.3Å; L183-F187 HydrophobicContact CB-CD2 4.38Å; L183-F187 HydrophobicContact CB-CE2 4.44Å; L183-F187 HydrophobicContact CD2-CE2 3.89Å; L183-F187 WeakPolarHBondContact O-CD2 3.46Å; L183-F187 PolarHBondContact O-N 3.25Å; L183-L434 HydrophobicContact CD2-CD1 3.68Å
184	Y	92.8	Very high	91.4	Very high	98 Å²	98	55.8 Å²	55.8	38%	0.384	29%	0.286	S	S	.	.	H	α-helix	trans	-60.2	-44.2	174.8	174.1	-106	0	0	0	111.9	S180 V181 Q182 Y188 K189	S180-Y184 WeakPolarHBondContact O-CB 3.33Å; S180-Y184 PolarHBondContact O-N 3.46Å; V181-Y184 PolarHBondContact O-N 3.37Å; Q182-Y184 VanDerWaalsContact C-N 3.31Å; Q182-Y184 PolarHBondContact O-N 3.22Å; Y184-Y188 AromaticContact CD2-CD2 3.72Å; Y184-Y188 HydrophobicContact CD2-CD2 3.72Å; Y184-Y188 HydrophobicContact CD2-CE2 4.4Å; Y184-Y188 HydrophobicContact CD2-CG 4.18Å; Y184-Y188 HydrophobicContact CE2-CD2 4.19Å; Y184-Y188 HydrophobicContact CE2-CG 4.19Å; Y184-Y188 VanDerWaalsContact O-CB 3.32Å; Y184-Y188 WeakPolarHBondContact O-CB 2.93Å; Y184-Y188 WeakPolarHBondContact O-CD2 3.29Å; Y184-Y188 PolarHBondContact O-N 3.5Å; Y184-Y188 VanDerWaalsContact O-N 3.07Å; Y184-K189 WeakPolarHBondContact OH-CE 3.18Å; Y184-K189 PolarHBondContact OH-NZ 3.48Å
185	C	92	Very high	91	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.6	-40.7	179.9	-64.8	0	0	0	0	112.3	V181 Q182 L183 K189 W194	V181-C185 WeakPolarHBondContact O-CB 3.4Å; V181-C185 PolarHBondContact O-N 3.47Å; V181-C185 PolarHBondContact O-SG 3.38Å; Q182-C185 PolarHBondContact O-N 3.35Å; Q182-C185 VanDerWaalsContact O-N 3.15Å; L183-C185 VanDerWaalsContact C-N 3.34Å; L183-C185 PolarHBondContact O-N 3.35Å; C185-K189 HydrophobicContact CB-CG 4.46Å; C185-K189 WeakPolarHBondContact O-CB 3.18Å; C185-K189 PolarHBondContact O-N 2.98Å; C185-W194 HydrophobicContact CB-CD2 3.63Å; C185-W194 HydrophobicContact CB-CE3 3.26Å; C185-W194 HydrophobicContact CB-CG 4.4Å; C185-W194 HydrophobicContact CB-CH2 3.73Å; C185-W194 HydrophobicContact CB-CZ2 4.07Å; C185-W194 HydrophobicContact CB-CZ3 3.28Å
186	E	89.7	Confident	90.6	Very high	49 Å²	49	58.7 Å²	58.7	23%	0.229	30%	0.298	C	S	.	.	H	α-helix	trans	-62.3	-43.8	180	-165.4	71.8	-162.4	0	0	112.3	Q182 L183 W194 L434	Q182-E186 WeakPolarHBondContact O-CB 3.5Å; Q182-E186 PolarHBondContact O-N 2.95Å; L183-E186 PolarHBondContact O-N 3.3Å; E186-W194 PolarHBondContact OE2-NE1 3.18Å; E186-L434 HydrophobicContact CG-CB 3.99Å; E186-L434 HydrophobicContact CG-CD1 4.44Å; E186-L434 HydrophobicContact CG-CG 4.45Å; E186-L434 PolarHBondContact OE2-N 3.31Å
187	F	90.1	Very high	90.3	Very high	141 Å²	141	57.1 Å²	57.1	62%	0.618	28%	0.282	S	S	*	.	H	α-helix	trans	-93	-22.5	-173.9	-66.3	-61.2	0	0	0	114.8	L183 L434	L183-F187 HydrophobicContact CB-CD2 4.38Å; L183-F187 HydrophobicContact CB-CE2 4.44Å; L183-F187 HydrophobicContact CD2-CE2 3.89Å; L183-F187 WeakPolarHBondContact O-CD2 3.46Å; L183-F187 PolarHBondContact O-N 3.25Å; F187-L434 HydrophobicContact CE2-CD1 4.07Å; F187-L434 HydrophobicContact CZ-CD1 3.79Å
188	Y	91.2	Very high	90	Very high	172 Å²	172	57.6 Å²	57.6	68%	0.675	28%	0.281	S	S	*	.	H	α-helix	trans	-119.9	-9.4	-171.4	-62.7	-86.4	0	0	0	115.3	Y184	Y184-Y188 AromaticContact CD2-CD2 3.72Å; Y184-Y188 HydrophobicContact CD2-CD2 3.72Å; Y184-Y188 HydrophobicContact CD2-CE2 4.4Å; Y184-Y188 HydrophobicContact CD2-CG 4.18Å; Y184-Y188 HydrophobicContact CE2-CD2 4.19Å; Y184-Y188 HydrophobicContact CE2-CG 4.19Å; Y184-Y188 VanDerWaalsContact O-CB 3.32Å; Y184-Y188 WeakPolarHBondContact O-CB 2.93Å; Y184-Y188 WeakPolarHBondContact O-CD2 3.29Å; Y184-Y188 PolarHBondContact O-N 3.5Å; Y184-Y188 VanDerWaalsContact O-N 3.07Å
189	K	90	Very high	89.7	Confident	50 Å²	50	59.1 Å²	59.1	22%	0.217	30%	0.297	C	S	.	.	S	Bend	trans	-104.5	154.8	179.9	-59	-61.4	172.4	-167.6	0	111.8	L136 I139 Y184 C185 W194	L136-K189 HydrophobicContact CD1-CB 4.38Å; L136-K189 HydrophobicContact CD1-CG 4.43Å; L136-K189 HydrophobicContact CD2-CD 4.35Å; I139-K189 HydrophobicContact CD1-CD 4.39Å; I139-K189 HydrophobicContact CD1-CG 4.35Å; Y184-K189 WeakPolarHBondContact OH-CE 3.18Å; Y184-K189 PolarHBondContact OH-NZ 3.48Å; C185-K189 HydrophobicContact CB-CG 4.46Å; C185-K189 WeakPolarHBondContact O-CB 3.18Å; C185-K189 PolarHBondContact O-N 2.98Å; K189-W194 HydrophobicContact CB-CB 4.49Å
190	N	88.1	Confident	89.6	Confident	88 Å²	88	57 Å²	57	47%	0.471	28%	0.282	S	S	.	.			trans	-60.7	130.1	173.2	179.7	-66.9	0	0	0	108.8	V192 K193 W194	N190-V192 VanDerWaalsContact C-N 3.29Å; N190-V192 PolarHBondContact O-N 3.04Å; N190-V192 WeakPolarHBondContact OD1-CB 3.47Å; N190-V192 PolarHBondContact OD1-N 3.23Å; N190-K193 HydrophobicContact CB-CB 4.49Å; N190-K193 HydrophobicContact CB-CG 4.31Å; N190-K193 PolarHBondContact O-N 2.79Å; N190-K193 VanDerWaalsContact O-N 3.15Å; N190-W194 PolarHBondContact O-N 2.83Å
191	P	85.5	Confident	89.6	Confident	52 Å²	52	53.4 Å²	53.4	34%	0.338	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-37.3	-172.8	21.7	-33.3	0	0	0	112.7	K193 W194 H195 Q516	P191-K193 PolarHBondContact O-N 3.31Å; P191-W194 PolarHBondContact O-N 2.83Å; P191-H195 VanDerWaalsContact O-CB 3.31Å; P191-H195 WeakPolarHBondContact O-CB 2.91Å; P191-H195 PolarHBondContact O-N 3.36Å; P191-H195 PolarHBondContact O-ND1 2.97Å; P191-Q516 VanDerWaalsContact CB-O 3.24Å; P191-Q516 WeakPolarHBondContact CB-O 3.48Å; P191-Q516 HydrophobicContact CG-CB 4.47Å
192	V	85.1	Confident	89.6	Confident	43 Å²	43	53.3 Å²	53.3	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-46.3	178.7	-177.6	0	0	0	0	110.6	N190 Q196 F515 Q516	N190-V192 VanDerWaalsContact C-N 3.29Å; N190-V192 PolarHBondContact O-N 3.04Å; N190-V192 WeakPolarHBondContact OD1-CB 3.47Å; N190-V192 PolarHBondContact OD1-N 3.23Å; V192-Q196 VanDerWaalsContact O-CG 3.3Å; V192-Q196 WeakPolarHBondContact O-CG 3.36Å; V192-Q196 PolarHBondContact O-N 2.62Å; V192-F515 WeakPolarHBondContact CA-O 3.26Å; V192-F515 HydrophobicContact CG1-CB 4.45Å; V192-F515 HydrophobicContact CG2-CB 4.37Å; V192-Q516 HydrophobicContact CG2-CG 3.79Å
193	K	87.9	Confident	89.7	Confident	78 Å²	78	52.9 Å²	52.9	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-70.6	-37.4	179.6	-59.2	-169.8	-177.5	-156.2	0	112	D135 L136 N190 P191	D135-K193 HydrophobicContact CB-CD 3.9Å; D135-K193 WeakPolarHBondContact OD2-CE 3.21Å; D135-K193 IonicContact OD2-NZ 2.86Å; D135-K193 PolarHBondContact OD2-NZ 2.55Å; L136-K193 HydrophobicContact CD1-CB 3.66Å; L136-K193 HydrophobicContact CG-CB 4.11Å; N190-K193 HydrophobicContact CB-CB 4.49Å; N190-K193 HydrophobicContact CB-CG 4.31Å; N190-K193 PolarHBondContact O-N 2.79Å; N190-K193 VanDerWaalsContact O-N 3.15Å; P191-K193 PolarHBondContact O-N 3.31Å
194	W	88.7	Confident	89.9	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.019	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-50.6	175.5	168.7	-134.2	0	0	0	111.3	C185 E186 K189 N190 P191 Q196 I197 R198 I201	C185-W194 HydrophobicContact CB-CD2 3.63Å; C185-W194 HydrophobicContact CB-CE3 3.26Å; C185-W194 HydrophobicContact CB-CG 4.4Å; C185-W194 HydrophobicContact CB-CH2 3.73Å; C185-W194 HydrophobicContact CB-CZ2 4.07Å; C185-W194 HydrophobicContact CB-CZ3 3.28Å; E186-W194 PolarHBondContact OE2-NE1 3.18Å; K189-W194 HydrophobicContact CB-CB 4.49Å; N190-W194 PolarHBondContact O-N 2.83Å; P191-W194 PolarHBondContact O-N 2.83Å; W194-Q196 PolarHBondContact O-N 2.77Å; W194-I197 HydrophobicContact CE3-CD1 3.92Å; W194-I197 HydrophobicContact CE3-CG1 3.74Å; W194-I197 HydrophobicContact CZ3-CD1 4.12Å; W194-I197 HydrophobicContact CZ3-CG1 4.1Å; W194-I197 VanDerWaalsContact O-CG1 3.29Å; W194-I197 WeakPolarHBondContact O-CG1 3.48Å; W194-I197 PolarHBondContact O-N 3.4Å; W194-I197 VanDerWaalsContact O-N 3.08Å; W194-R198 HydrophobicContact CD2-CB 4.47Å; W194-R198 HydrophobicContact CZ2-CB 4.41Å; W194-R198 HydrophobicContact CZ2-CG 4.12Å; W194-R198 WeakPolarHBondContact O-CB 3.31Å; W194-R198 PolarHBondContact O-N 2.86Å; W194-I201 HydrophobicContact CH2-CD1 4.19Å; W194-I201 HydrophobicContact CH2-CG2 4.15Å; W194-I201 HydrophobicContact CZ3-CD1 3.52Å
195	H	85.7	Confident	90	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.171	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-31.4	-179.7	-67.6	159.4	0	0	0	112.9	P191 F515	P191-H195 VanDerWaalsContact O-CB 3.31Å; P191-H195 WeakPolarHBondContact O-CB 2.91Å; P191-H195 PolarHBondContact O-N 3.36Å; P191-H195 PolarHBondContact O-ND1 2.97Å; H195-F515 PolarHBondContact ND1-O 3.29Å
196	Q	85.3	Confident	90.2	Very high	96 Å²	96	45 Å²	45	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-39.5	174.7	-75.3	172.4	-9.9	0	0	113.6	Y134 V192 W194	Y134-Q196 HydrophobicContact CD1-CB 3.82Å; Y134-Q196 HydrophobicContact CE1-CB 3.9Å; Y134-Q196 WeakPolarHBondContact CE1-O 3.48Å; V192-Q196 VanDerWaalsContact O-CG 3.3Å; V192-Q196 WeakPolarHBondContact O-CG 3.36Å; V192-Q196 PolarHBondContact O-N 2.62Å; W194-Q196 PolarHBondContact O-N 2.77Å
197	I	88.7	Confident	90.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-93.8	-14	-179.5	61.5	168.4	0	0	0	114	Y134 L136 V140 W194 G199 S200 I201	Y134-I197 VanDerWaalsContact CB-CG2 3.4Å; Y134-I197 HydrophobicContact CD1-CG2 3.62Å; Y134-I197 HydrophobicContact CD2-CG2 3.8Å; Y134-I197 HydrophobicContact CE1-CG2 4.3Å; Y134-I197 HydrophobicContact CE2-CG2 4.43Å; Y134-I197 HydrophobicContact CG-CG2 3.32Å; L136-I197 HydrophobicContact CB-CD1 3.7Å; L136-I197 HydrophobicContact CB-CG2 4.22Å; L136-I197 HydrophobicContact CD1-CD1 3.91Å; L136-I197 HydrophobicContact CD1-CG1 4.48Å; L136-I197 HydrophobicContact CG-CD1 4.48Å; V140-I197 HydrophobicContact CG2-CB 4.41Å; W194-I197 HydrophobicContact CE3-CD1 3.92Å; W194-I197 HydrophobicContact CE3-CG1 3.74Å; W194-I197 HydrophobicContact CZ3-CD1 4.12Å; W194-I197 HydrophobicContact CZ3-CG1 4.1Å; W194-I197 VanDerWaalsContact O-CG1 3.29Å; W194-I197 WeakPolarHBondContact O-CG1 3.48Å; W194-I197 PolarHBondContact O-N 3.4Å; W194-I197 VanDerWaalsContact O-N 3.08Å; I197-G199 VanDerWaalsContact C-N 3.29Å; I197-G199 PolarHBondContact O-N 2.87Å; I197-S200 PolarHBondContact O-N 2.85Å; I197-S200 VanDerWaalsContact O-N 3.1Å; I197-I201 HydrophobicContact CB-CD1 4.48Å; I197-I201 HydrophobicContact CD1-CD1 3.6Å; I197-I201 HydrophobicContact CG1-CD1 4.04Å; I197-I201 PolarHBondContact O-N 3.29Å
198	R	89.4	Confident	90.8	Very high	49 Å²	49	36 Å²	36	19%	0.185	18%	0.177	C	C	.	.	H	α-helix	trans	-54.6	-42.8	-172.7	179.8	178.9	59.9	170.7	-7.1	112.7	W194 S200 I201 M202 H432 L438	W194-R198 HydrophobicContact CD2-CB 4.47Å; W194-R198 HydrophobicContact CZ2-CB 4.41Å; W194-R198 HydrophobicContact CZ2-CG 4.12Å; W194-R198 WeakPolarHBondContact O-CB 3.31Å; W194-R198 PolarHBondContact O-N 2.86Å; R198-S200 PolarHBondContact O-N 3.44Å; R198-I201 PolarHBondContact O-N 2.93Å; R198-M202 WeakPolarHBondContact O-CB 3.16Å; R198-M202 PolarHBondContact O-N 3.3Å; R198-H432 VanDerWaalsContact CD-O 3.27Å; R198-H432 WeakPolarHBondContact CD-O 3.3Å; R198-H432 PolarHBondContact NH1-O 3.26Å; R198-L438 VanDerWaalsContact NH1-CD1 3.34Å
199	G	89.8	Confident	91	Very high	32 Å²	32	28.8 Å²	28.8	33%	0.33	15%	0.15	S	C	.	.	H	α-helix	trans	-59.5	-45.1	178.1	0	0	0	0	0	112.7	I197 I201 M202 I203	I197-G199 VanDerWaalsContact C-N 3.29Å; I197-G199 PolarHBondContact O-N 2.87Å; G199-I201 PolarHBondContact O-N 2.81Å; G199-M202 WeakPolarHBondContact O-CB 3.29Å; G199-M202 PolarHBondContact O-N 2.63Å; G199-I203 PolarHBondContact O-N 2.94Å; G199-I203 VanDerWaalsContact O-N 3.16Å
200	S	91.2	Very high	91.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-64.8	-40.9	177.2	-48.9	0	0	0	0	112.1	I197 R198 I203 I204 L251 L252	I197-S200 PolarHBondContact O-N 2.85Å; I197-S200 VanDerWaalsContact O-N 3.1Å; R198-S200 PolarHBondContact O-N 3.44Å; S200-I203 PolarHBondContact O-N 2.65Å; S200-I204 WeakPolarHBondContact O-CD1 3.48Å; S200-I204 VanDerWaalsContact O-CG1 3.26Å; S200-I204 WeakPolarHBondContact O-CG1 3.46Å; S200-I204 PolarHBondContact O-N 2.85Å; S200-L251 WeakPolarHBondContact CA-O 3.25Å; S200-L251 VanDerWaalsContact CB-O 3.31Å; S200-L251 WeakPolarHBondContact CB-O 3.35Å; S200-L251 PolarHBondContact OG-O 3.47Å; S200-L252 WeakPolarHBondContact OG-CD2 3.24Å
201	I	92.7	Very high	91.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-65.8	-43	177.6	-76.4	171.2	0	0	0	111.2	I139 V140 Q182 W194 I197 R198 G199 I203 I204 I205	I139-I201 HydrophobicContact CG2-CD1 4.31Å; V140-I201 HydrophobicContact CG2-CD1 4.28Å; V140-I201 HydrophobicContact CG2-CG1 4.18Å; Q182-I201 HydrophobicContact CG-CG2 4.46Å; W194-I201 HydrophobicContact CH2-CD1 4.19Å; W194-I201 HydrophobicContact CH2-CG2 4.15Å; W194-I201 HydrophobicContact CZ3-CD1 3.52Å; I197-I201 HydrophobicContact CB-CD1 4.48Å; I197-I201 HydrophobicContact CD1-CD1 3.6Å; I197-I201 HydrophobicContact CG1-CD1 4.04Å; I197-I201 PolarHBondContact O-N 3.29Å; R198-I201 PolarHBondContact O-N 2.93Å; G199-I201 PolarHBondContact O-N 2.81Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.28Å; I201-I204 PolarHBondContact O-N 3.46Å; I201-I205 HydrophobicContact CG2-CD1 3.5Å; I201-I205 HydrophobicContact CG2-CG1 4.24Å; I201-I205 WeakPolarHBondContact O-CD1 3.24Å; I201-I205 VanDerWaalsContact O-CG1 3.22Å; I201-I205 WeakPolarHBondContact O-CG1 3.41Å; I201-I205 PolarHBondContact O-N 3.34Å
202	M	93.3	Very high	91.7	Very high	29 Å²	29	19.7 Å²	19.7	14%	0.143	10%	0.101	C	C	.	.	H	α-helix	trans	-53.7	-50.5	174.8	-179	-179.8	78.2	0	0	111.4	R198 G199 I204 I205 M206 L431	R198-M202 WeakPolarHBondContact O-CB 3.16Å; R198-M202 PolarHBondContact O-N 3.3Å; G199-M202 WeakPolarHBondContact O-CB 3.29Å; G199-M202 PolarHBondContact O-N 2.63Å; M202-I204 PolarHBondContact O-N 2.91Å; M202-I205 PolarHBondContact O-N 3.38Å; M202-M206 HydrophobicContact CG-SD 4.31Å; M202-M206 WeakPolarHBondContact O-CG 3.39Å; M202-M206 PolarHBondContact O-N 3.42Å; M202-L431 HydrophobicContact CG-CB 4.02Å; M202-L431 HydrophobicContact CG-CD2 4.26Å; M202-L431 HydrophobicContact SD-CB 4.42Å
203	I	94.8	Very high	91.9	Very high	13 Å²	13	20.3 Å²	20.3	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-41.9	178.2	-63.1	-59.9	0	0	0	111.5	G199 S200 I201 I205 M206 K207 G254	G199-I203 PolarHBondContact O-N 2.94Å; G199-I203 VanDerWaalsContact O-N 3.16Å; S200-I203 PolarHBondContact O-N 2.65Å; I201-I203 VanDerWaalsContact C-N 3.34Å; I201-I203 PolarHBondContact O-N 3.28Å; I203-I205 VanDerWaalsContact C-N 3.29Å; I203-I205 PolarHBondContact O-N 2.89Å; I203-M206 HydrophobicContact CD1-SD 4.13Å; I203-M206 PolarHBondContact O-N 3.13Å; I203-K207 HydrophobicContact CG2-CD 4.05Å; I203-K207 HydrophobicContact CG2-CG 4.21Å; I203-K207 VanDerWaalsContact O-CB 3.3Å; I203-K207 WeakPolarHBondContact O-CB 3.11Å; I203-K207 WeakPolarHBondContact O-CG 3.37Å; I203-K207 PolarHBondContact O-N 3.48Å; I203-G254 WeakPolarHBondContact CD1-O 3.37Å; I203-G254 WeakPolarHBondContact CG1-O 3.3Å
204	I	95.2	Very high	91.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-40.4	176.5	-70.1	163.8	0	0	0	111.3	V140 L143 I144 L147 S200 I201 M202 K207 C208 W241 L251	V140-I204 HydrophobicContact CG1-CD1 3.54Å; L143-I204 HydrophobicContact CD2-CG2 3.88Å; L143-I204 HydrophobicContact CG-CG2 4.31Å; I144-I204 HydrophobicContact CD1-CD1 3.98Å; I144-I204 HydrophobicContact CG1-CD1 4.13Å; L147-I204 HydrophobicContact CD1-CG2 4.25Å; S200-I204 WeakPolarHBondContact O-CD1 3.48Å; S200-I204 VanDerWaalsContact O-CG1 3.26Å; S200-I204 WeakPolarHBondContact O-CG1 3.46Å; S200-I204 PolarHBondContact O-N 2.85Å; I201-I204 PolarHBondContact O-N 3.46Å; M202-I204 PolarHBondContact O-N 2.91Å; I204-K207 PolarHBondContact O-N 3.33Å; I204-C208 WeakPolarHBondContact O-CB 3.46Å; I204-C208 PolarHBondContact O-N 3.47Å; I204-W241 HydrophobicContact CG2-CH2 4.41Å; I204-W241 HydrophobicContact CG2-CZ2 4.36Å; I204-L251 HydrophobicContact CD1-CD1 4.18Å; I204-L251 HydrophobicContact CG1-CD1 4.47Å
205	I	95.6	Very high	91.4	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-66.2	-47.2	178.5	-66.4	158.9	0	0	0	110.9	C178 Q182 I201 M202 I203 K207 C208 I209 L431	C178-I205 HydrophobicContact CB-CG1 3.97Å; C178-I205 HydrophobicContact CB-CG2 4.09Å; Q182-I205 HydrophobicContact CG-CD1 3.65Å; Q182-I205 VanDerWaalsContact NE2-CD1 3.29Å; I201-I205 HydrophobicContact CG2-CD1 3.5Å; I201-I205 HydrophobicContact CG2-CG1 4.24Å; I201-I205 WeakPolarHBondContact O-CD1 3.24Å; I201-I205 VanDerWaalsContact O-CG1 3.22Å; I201-I205 WeakPolarHBondContact O-CG1 3.41Å; I201-I205 PolarHBondContact O-N 3.34Å; M202-I205 PolarHBondContact O-N 3.38Å; I203-I205 VanDerWaalsContact C-N 3.29Å; I203-I205 PolarHBondContact O-N 2.89Å; I205-K207 VanDerWaalsContact C-N 3.28Å; I205-K207 PolarHBondContact O-N 2.92Å; I205-C208 VanDerWaalsContact CA-SG 3.58Å; I205-C208 PolarHBondContact O-N 3.35Å; I205-C208 PolarHBondContact O-SG 2.93Å; I205-I209 HydrophobicContact CG2-CD1 3.72Å; I205-I209 HydrophobicContact CG2-CG1 4.42Å; I205-I209 WeakPolarHBondContact O-CG1 3.24Å; I205-I209 PolarHBondContact O-N 3.34Å; I205-L431 HydrophobicContact CB-CD2 4Å; I205-L431 HydrophobicContact CG2-CD2 3.64Å
206	M	96.5	Very high	90.9	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-45	176	-66.5	170.7	72.8	0	0	110.8	M202 I203 S210 W256 M400 W403 L431	M202-M206 HydrophobicContact CG-SD 4.31Å; M202-M206 WeakPolarHBondContact O-CG 3.39Å; M202-M206 PolarHBondContact O-N 3.42Å; I203-M206 HydrophobicContact CD1-SD 4.13Å; I203-M206 PolarHBondContact O-N 3.13Å; M206-S210 WeakPolarHBondContact O-CB 3.38Å; M206-S210 PolarHBondContact O-N 3.27Å; M206-S210 PolarHBondContact O-OG 2.98Å; M206-W256 HydrophobicContact CB-CB 4.36Å; M206-W256 HydrophobicContact CB-CG 4.24Å; M206-W256 HydrophobicContact CE-CB 3.4Å; M206-W256 VanDerWaalsContact CE-CB 3.4Å; M206-W256 HydrophobicContact CE-CG 3.87Å; M206-W256 HydrophobicContact SD-CB 4.22Å; M206-M400 HydrophobicContact CE-CB 4.26Å; M206-M400 HydrophobicContact CE-CG 4.37Å; M206-M400 HydrophobicContact CE-SD 3.26Å; M206-M400 WeakPolarHBondContact CE-SD 3.39Å; M206-M400 HydrophobicContact SD-SD 3.45Å; M206-W403 HydrophobicContact CB-CD2 4.18Å; M206-W403 HydrophobicContact CB-CG 4.34Å; M206-W403 HydrophobicContact CB-CZ2 4.38Å; M206-W403 HydrophobicContact CE-CB 3.61Å; M206-W403 HydrophobicContact CE-CD2 3.84Å; M206-W403 HydrophobicContact CE-CE3 4.14Å; M206-W403 HydrophobicContact CE-CG 3.58Å; M206-W403 HydrophobicContact CG-CD2 3.99Å; M206-W403 HydrophobicContact CG-CE3 4.23Å; M206-W403 HydrophobicContact CG-CG 4.46Å; M206-W403 HydrophobicContact CG-CZ2 4.32Å; M206-W403 PolarHBondContact O-NE1 2.91Å; M206-L431 HydrophobicContact CG-CD1 4.04Å; M206-L431 HydrophobicContact CG-CD2 4.27Å
207	K	96.8	Very high	90.6	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-60.2	-46.5	176.2	-76	-171.9	176.8	179.2	0	112.2	I203 I204 I205 S210 F211 W241 Y244 S250	I203-K207 HydrophobicContact CG2-CD 4.05Å; I203-K207 HydrophobicContact CG2-CG 4.21Å; I203-K207 VanDerWaalsContact O-CB 3.3Å; I203-K207 WeakPolarHBondContact O-CB 3.11Å; I203-K207 WeakPolarHBondContact O-CG 3.37Å; I203-K207 PolarHBondContact O-N 3.48Å; I204-K207 PolarHBondContact O-N 3.33Å; I205-K207 VanDerWaalsContact C-N 3.28Å; I205-K207 PolarHBondContact O-N 2.92Å; K207-S210 PolarHBondContact O-N 3.3Å; K207-F211 VanDerWaalsContact O-CB 3.24Å; K207-F211 WeakPolarHBondContact O-CB 3.22Å; K207-F211 PolarHBondContact O-N 3.42Å; K207-W241 HydrophobicContact CB-CH2 4.2Å; K207-W241 HydrophobicContact CB-CZ3 4.07Å; K207-Y244 HydrophobicContact CB-CD1 4.17Å; K207-Y244 HydrophobicContact CB-CE1 3.41Å; K207-Y244 VanDerWaalsContact CB-CE1 3.41Å; K207-Y244 HydrophobicContact CD-CD1 4.19Å; K207-Y244 HydrophobicContact CD-CE1 3.82Å; K207-Y244 HydrophobicContact CD-CE2 4.28Å; K207-Y244 HydrophobicContact CG-CD1 4.37Å; K207-Y244 HydrophobicContact CG-CE1 3.55Å; K207-Y244 HydrophobicContact CG-CE2 4.36Å; K207-Y244 WeakPolarHBondContact CG-OH 3.44Å; K207-Y244 PolarHBondContact NZ-O 2.9Å; K207-S250 PolarHBondContact NZ-OG 2.86Å
208	C	95.7	Very high	89.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71	-38.6	-176.4	73.4	0	0	0	0	112.6	L147 F151 T174 C178 I204 I205 S210 F211 S212 W241	L147-C208 HydrophobicContact CD1-CB 3.77Å; L147-C208 HydrophobicContact CD2-CB 4.34Å; F151-C208 HydrophobicContact CE2-CB 4.18Å; F151-C208 HydrophobicContact CZ-CB 4.06Å; T174-C208 HydrophobicContact CG2-CB 3.99Å; T174-C208 WeakPolarHBondContact CG2-SG 3.45Å; C178-C208 PolarHBondContact SG-SG 2.73Å; I204-C208 WeakPolarHBondContact O-CB 3.46Å; I204-C208 PolarHBondContact O-N 3.47Å; I205-C208 VanDerWaalsContact CA-SG 3.58Å; I205-C208 PolarHBondContact O-N 3.35Å; I205-C208 PolarHBondContact O-SG 2.93Å; C208-S210 VanDerWaalsContact C-N 3.35Å; C208-F211 PolarHBondContact O-N 2.81Å; C208-S212 WeakPolarHBondContact O-CB 3.38Å; C208-S212 PolarHBondContact O-N 3.38Å; C208-W241 VanDerWaalsContact CA-CH2 3.49Å; C208-W241 VanDerWaalsContact CA-CZ3 3.44Å; C208-W241 HydrophobicContact CB-CH2 3.32Å; C208-W241 HydrophobicContact CB-CZ2 3.94Å; C208-W241 HydrophobicContact CB-CZ3 3.8Å
209	I	94.9	Very high	89	Confident	21 Å²	21	20.3 Å²	20.3	11%	0.108	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-46	175.1	-69.4	170.1	0	0	0	109.5	L171 I175 I205 F211 S212 M213 W403	L171-I209 HydrophobicContact CD1-CG2 4.08Å; I175-I209 HydrophobicContact CG1-CD1 4.46Å; I175-I209 HydrophobicContact CG1-CG1 4.4Å; I205-I209 HydrophobicContact CG2-CD1 3.72Å; I205-I209 HydrophobicContact CG2-CG1 4.42Å; I205-I209 WeakPolarHBondContact O-CG1 3.24Å; I205-I209 PolarHBondContact O-N 3.34Å; I209-F211 VanDerWaalsContact C-N 3.35Å; I209-F211 PolarHBondContact O-N 3.44Å; I209-S212 PolarHBondContact O-N 3.36Å; I209-M213 HydrophobicContact CG2-CG 4.5Å; I209-M213 HydrophobicContact CG2-SD 3.96Å; I209-M213 WeakPolarHBondContact O-CB 3.4Å; I209-M213 WeakPolarHBondContact O-CG 3.48Å; I209-M213 PolarHBondContact O-N 2.97Å; I209-W403 HydrophobicContact CB-CZ2 3.92Å; I209-W403 HydrophobicContact CD1-CH2 4.1Å; I209-W403 HydrophobicContact CD1-CZ2 3.83Å; I209-W403 HydrophobicContact CG1-CZ2 4.47Å; I209-W403 HydrophobicContact CG2-CZ2 3.81Å
210	S	94.2	Very high	88.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-46.1	175.9	-49	0	0	0	0	111.4	M206 K207 C208 S212 M213 E214 W256 W403 Y407	M206-S210 WeakPolarHBondContact O-CB 3.38Å; M206-S210 PolarHBondContact O-N 3.27Å; M206-S210 PolarHBondContact O-OG 2.98Å; K207-S210 PolarHBondContact O-N 3.3Å; C208-S210 VanDerWaalsContact C-N 3.35Å; S210-S212 VanDerWaalsContact C-N 3.29Å; S210-S212 PolarHBondContact O-N 3.16Å; S210-M213 PolarHBondContact O-N 3.41Å; S210-E214 WeakPolarHBondContact O-CB 3.34Å; S210-E214 VanDerWaalsContact O-CG 3.23Å; S210-E214 WeakPolarHBondContact O-CG 3.42Å; S210-E214 PolarHBondContact O-N 3.48Å; S210-W256 PolarHBondContact OG-NE1 2.88Å; S210-W403 PolarHBondContact OG-NE1 2.69Å; S210-Y407 WeakPolarHBondContact OG-CE2 3.29Å
211	F	93.2	Very high	87.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-38.3	179.6	-166.9	-95	0	0	0	112.2	F151 K207 C208 I209 F218 R237 L240 W241 Y244 P259	F151-F211 HydrophobicContact CB-CE1 4.05Å; F151-F211 HydrophobicContact CD1-CD1 4.01Å; F151-F211 HydrophobicContact CD1-CE1 4.29Å; F151-F211 AromaticContact CD2-CD1 3.76Å; F151-F211 HydrophobicContact CD2-CD1 3.76Å; F151-F211 AromaticContact CD2-CE1 3.99Å; F151-F211 HydrophobicContact CD2-CE1 3.99Å; F151-F211 HydrophobicContact CE1-CD1 4.11Å; F151-F211 AromaticContact CE2-CD1 3.84Å; F151-F211 HydrophobicContact CE2-CD1 3.84Å; F151-F211 AromaticContact CG-CD1 3.85Å; F151-F211 HydrophobicContact CG-CD1 3.85Å; F151-F211 AromaticContact CG-CE1 3.86Å; F151-F211 HydrophobicContact CG-CE1 3.86Å; F151-F211 HydrophobicContact CZ-CD1 4.02Å; K207-F211 VanDerWaalsContact O-CB 3.24Å; K207-F211 WeakPolarHBondContact O-CB 3.22Å; K207-F211 PolarHBondContact O-N 3.42Å; C208-F211 PolarHBondContact O-N 2.81Å; I209-F211 VanDerWaalsContact C-N 3.35Å; I209-F211 PolarHBondContact O-N 3.44Å; F211-F218 AromaticContact CD2-CE2 3.94Å; F211-F218 HydrophobicContact CD2-CE2 3.94Å; F211-F218 HydrophobicContact CD2-CZ 4.09Å; F211-F218 HydrophobicContact CE2-CE1 4.5Å; F211-F218 HydrophobicContact CE2-CE2 4.05Å; F211-F218 HydrophobicContact CE2-CZ 4Å; F211-R237 HydrophobicContact CE1-CG 3.91Å; F211-R237 HydrophobicContact CZ-CG 3.85Å; F211-L240 HydrophobicContact CE2-CD2 4.02Å; F211-L240 HydrophobicContact CE2-CG 4Å; F211-L240 HydrophobicContact CZ-CD2 4.37Å; F211-L240 HydrophobicContact CZ-CG 4.42Å; F211-W241 HydrophobicContact CB-CE3 3.94Å; F211-W241 HydrophobicContact CB-CZ3 4.05Å; F211-W241 HydrophobicContact CD1-CB 4.47Å; F211-W241 HydrophobicContact CD1-CE3 4.06Å; F211-W241 HydrophobicContact CD2-CE3 4.14Å; F211-W241 HydrophobicContact CE1-CB 3.96Å; F211-W241 HydrophobicContact CE2-CB 4.37Å; F211-W241 AromaticContact CG-CE3 3.78Å; F211-W241 HydrophobicContact CG-CE3 3.78Å; F211-W241 HydrophobicContact CG-CZ3 4.38Å; F211-W241 HydrophobicContact CZ-CB 3.9Å; F211-Y244 HydrophobicContact CD2-CD1 4.36Å; F211-P259 HydrophobicContact CD2-CB 4.01Å
212	S	91.3	Very high	85.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-72.5	-40.8	176.9	-167.8	0	0	0	0	112.7	E170 L171 C208 I209 S210 N215	E170-S212 WeakPolarHBondContact CG-OG 3.09Å; E170-S212 VanDerWaalsContact OE1-CA 3.24Å; E170-S212 WeakPolarHBondContact OE1-CA 3.49Å; E170-S212 WeakPolarHBondContact OE1-CB 3.39Å; E170-S212 PolarHBondContact OE1-OG 2.93Å; L171-S212 PolarHBondContact N-OG 3.22Å; C208-S212 WeakPolarHBondContact O-CB 3.38Å; C208-S212 PolarHBondContact O-N 3.38Å; I209-S212 PolarHBondContact O-N 3.36Å; S210-S212 VanDerWaalsContact C-N 3.29Å; S210-S212 PolarHBondContact O-N 3.16Å; S212-N215 WeakPolarHBondContact O-CB 3.47Å; S212-N215 PolarHBondContact O-N 2.87Å
213	M	89.4	Confident	84.4	Confident	55 Å²	55	31.2 Å²	31.2	27%	0.271	15%	0.151	S	C	.	.	H	α-helix	trans	-71.5	-31.6	179.2	-70.8	-175.3	66.7	0	0	113.2	L171 I209 S210 N215 Y407 P411	L171-M213 HydrophobicContact CD1-CG 3.76Å; L171-M213 HydrophobicContact CD1-SD 4.2Å; L171-M213 HydrophobicContact CD2-CG 3.83Å; L171-M213 HydrophobicContact CD2-SD 4.06Å; L171-M213 HydrophobicContact CG-CG 4.37Å; I209-M213 HydrophobicContact CG2-CG 4.5Å; I209-M213 HydrophobicContact CG2-SD 3.96Å; I209-M213 WeakPolarHBondContact O-CB 3.4Å; I209-M213 WeakPolarHBondContact O-CG 3.48Å; I209-M213 PolarHBondContact O-N 2.97Å; S210-M213 PolarHBondContact O-N 3.41Å; M213-N215 PolarHBondContact O-N 3.48Å; M213-Y407 HydrophobicContact CB-CD1 3.88Å; M213-Y407 HydrophobicContact CB-CE1 3.91Å; M213-Y407 HydrophobicContact CE-CD1 3.87Å; M213-Y407 HydrophobicContact CG-CD1 4.23Å; M213-Y407 HydrophobicContact SD-CD1 3.51Å; M213-Y407 VanDerWaalsContact SD-CD1 3.51Å; M213-Y407 HydrophobicContact SD-CE1 4.49Å; M213-Y407 HydrophobicContact SD-CG 4.17Å; M213-P411 HydrophobicContact CE-CG 4.01Å
214	E	86	Confident	83	Confident	14 Å²	14	37.4 Å²	37.4	7%	0.065	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	3.6	178.5	-66.1	-66.3	170.9	0	0	113.8	S210 K216 N217 F218 P259 Q406 Y407	S210-E214 WeakPolarHBondContact O-CB 3.34Å; S210-E214 VanDerWaalsContact O-CG 3.23Å; S210-E214 WeakPolarHBondContact O-CG 3.42Å; S210-E214 PolarHBondContact O-N 3.48Å; E214-K216 VanDerWaalsContact C-N 3.29Å; E214-K216 PolarHBondContact O-N 3.39Å; E214-K216 VanDerWaalsContact O-N 3.15Å; E214-N217 WeakPolarHBondContact O-CA 3.34Å; E214-N217 WeakPolarHBondContact O-CB 3.43Å; E214-N217 PolarHBondContact O-N 2.95Å; E214-N217 PolarHBondContact OE2-ND2 2.97Å; E214-F218 HydrophobicContact CB-CD2 3.89Å; E214-F218 HydrophobicContact CB-CE2 3.64Å; E214-F218 VanDerWaalsContact O-CD2 3.27Å; E214-F218 WeakPolarHBondContact O-CD2 3.48Å; E214-F218 PolarHBondContact O-N 3.44Å; E214-P259 HydrophobicContact CB-CG 4.4Å; E214-P259 HydrophobicContact CG-CG 4.18Å; E214-Q406 PolarHBondContact OE1-NE2 2.85Å; E214-Y407 HydrophobicContact CG-CE1 4.38Å; E214-Y407 PolarHBondContact OE1-OH 2.91Å
215	N	79.6	Confident	81.6	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-50.1	-44.3	-174.3	-176.9	38.6	0	0	0	113.4	D158 S212 M213 N217 F218 Y219 R237	D158-N215 PolarHBondContact OD2-ND2 2.93Å; S212-N215 WeakPolarHBondContact O-CB 3.47Å; S212-N215 PolarHBondContact O-N 2.87Å; M213-N215 PolarHBondContact O-N 3.48Å; N215-N217 VanDerWaalsContact C-N 3.35Å; N215-N217 PolarHBondContact O-N 3.42Å; N215-F218 WeakPolarHBondContact O-CB 3.34Å; N215-F218 PolarHBondContact O-N 3.09Å; N215-Y219 WeakPolarHBondContact O-CD2 3.42Å; N215-Y219 PolarHBondContact O-N 2.92Å; N215-Y219 WeakPolarHBondContact OD1-CE2 3.24Å; N215-R237 PolarHBondContact OD1-NE 3.1Å; N215-R237 PolarHBondContact OD1-NH1 3.29Å; N215-R237 PolarHBondContact OD1-NH2 2.96Å
216	K	75.9	Confident	79.9	Confident	135 Å²	135	40 Å²	40	59%	0.587	19%	0.192	S	C	*	.	H	α-helix	trans	-60.8	-40.9	177	-175.2	176.8	-178.2	175.2	0	113	E214 K220	E214-K216 VanDerWaalsContact C-N 3.29Å; E214-K216 PolarHBondContact O-N 3.39Å; E214-K216 VanDerWaalsContact O-N 3.15Å; K216-K220 PolarHBondContact O-N 3.13Å; K216-K220 VanDerWaalsContact O-N 3.14Å
217	N	78	Confident	77.9	Confident	74 Å²	74	44.6 Å²	44.6	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-70.8	-37.9	179	-71.4	-32.1	0	0	0	110.9	E214 N215 Y219 K220 T221 L260	E214-N217 WeakPolarHBondContact O-CA 3.34Å; E214-N217 WeakPolarHBondContact O-CB 3.43Å; E214-N217 PolarHBondContact O-N 2.95Å; E214-N217 PolarHBondContact OE2-ND2 2.97Å; N215-N217 VanDerWaalsContact C-N 3.35Å; N215-N217 PolarHBondContact O-N 3.42Å; N217-Y219 PolarHBondContact O-N 2.82Å; N217-K220 PolarHBondContact O-N 3.42Å; N217-T221 PolarHBondContact O-N 3.43Å; N217-T221 PolarHBondContact O-OG1 3.13Å; N217-T221 VanDerWaalsContact O-OG1 3.07Å; N217-L260 HydrophobicContact CB-CD1 3.72Å; N217-L260 HydrophobicContact CB-CD2 4.15Å
218	F	74.8	Confident	75.9	Confident	7 Å²	7	49.4 Å²	49.4	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-50	171.7	-80.9	-65.3	0	0	0	112	F211 E214 N215 K220 T221 V222 L240 P259 L260 E263	F211-F218 AromaticContact CD2-CE2 3.94Å; F211-F218 HydrophobicContact CD2-CE2 3.94Å; F211-F218 HydrophobicContact CD2-CZ 4.09Å; F211-F218 HydrophobicContact CE2-CE1 4.5Å; F211-F218 HydrophobicContact CE2-CE2 4.05Å; F211-F218 HydrophobicContact CE2-CZ 4Å; E214-F218 HydrophobicContact CB-CD2 3.89Å; E214-F218 HydrophobicContact CB-CE2 3.64Å; E214-F218 VanDerWaalsContact O-CD2 3.27Å; E214-F218 WeakPolarHBondContact O-CD2 3.48Å; E214-F218 PolarHBondContact O-N 3.44Å; N215-F218 WeakPolarHBondContact O-CB 3.34Å; N215-F218 PolarHBondContact O-N 3.09Å; F218-K220 VanDerWaalsContact C-N 3.3Å; F218-K220 PolarHBondContact O-N 2.79Å; F218-T221 PolarHBondContact O-N 3.29Å; F218-T221 VanDerWaalsContact O-N 3.08Å; F218-V222 WeakPolarHBondContact O-CG2 3.34Å; F218-V222 PolarHBondContact O-N 3.27Å; F218-L240 HydrophobicContact CD1-CD2 3.94Å; F218-L240 HydrophobicContact CE1-CD2 3.63Å; F218-L240 HydrophobicContact CZ-CD2 4.42Å; F218-P259 HydrophobicContact CE2-CB 4.15Å; F218-P259 HydrophobicContact CE2-CG 3.9Å; F218-P259 HydrophobicContact CZ-CB 3.65Å; F218-P259 HydrophobicContact CZ-CG 3.82Å; F218-L260 HydrophobicContact CD1-CD2 3.57Å; F218-L260 HydrophobicContact CD2-CD2 4.12Å; F218-L260 HydrophobicContact CE1-CD2 3.47Å; F218-L260 VanDerWaalsContact CE1-CD2 3.47Å; F218-L260 HydrophobicContact CE1-CG 4.23Å; F218-L260 HydrophobicContact CE2-CD2 4.04Å; F218-L260 HydrophobicContact CE2-CG 4.38Å; F218-L260 HydrophobicContact CG-CD2 3.86Å; F218-L260 HydrophobicContact CZ-CD2 3.69Å; F218-L260 HydrophobicContact CZ-CG 4.03Å; F218-E263 VanDerWaalsContact CD1-OE2 3.3Å; F218-E263 WeakPolarHBondContact CD1-OE2 3.3Å; F218-E263 WeakPolarHBondContact CE1-OE2 3.44Å
219	Y	69.1	Low	74.2	Confident	32 Å²	32	50.1 Å²	50.1	13%	0.125	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-40.6	177.1	-76	-63.9	0	0	0	112.9	I155 D158 N215 N217 T221 V222 N223 T233	I155-Y219 VanDerWaalsContact CA-OH 3.28Å; I155-Y219 WeakPolarHBondContact CA-OH 3.31Å; I155-Y219 HydrophobicContact CD1-CE1 4.2Å; I155-Y219 WeakPolarHBondContact CD1-OH 3.5Å; I155-Y219 WeakPolarHBondContact CG1-OH 3.39Å; I155-Y219 HydrophobicContact CG2-CE1 4.1Å; D158-Y219 HydrophobicContact CB-CE2 4.15Å; D158-Y219 WeakPolarHBondContact OD2-CE2 3.34Å; N215-Y219 WeakPolarHBondContact O-CD2 3.42Å; N215-Y219 PolarHBondContact O-N 2.92Å; N215-Y219 WeakPolarHBondContact OD1-CE2 3.24Å; N217-Y219 PolarHBondContact O-N 2.82Å; Y219-T221 VanDerWaalsContact C-N 3.25Å; Y219-T221 PolarHBondContact O-N 2.9Å; Y219-V222 PolarHBondContact O-N 3.39Å; Y219-N223 VanDerWaalsContact O-CB 3.22Å; Y219-N223 WeakPolarHBondContact O-CB 3.31Å; Y219-N223 PolarHBondContact O-N 2.7Å; Y219-N223 PolarHBondContact O-ND2 3.45Å; Y219-T233 HydrophobicContact CE1-CG2 4.21Å
220	K	72.4	Confident	72.5	Confident	144 Å²	144	53.3 Å²	53.3	63%	0.626	28%	0.277	S	S	*	.	H	α-helix	trans	-62.8	-34	176.5	-170.6	177.1	-179.9	-178.1	0	112.2	K216 N217 F218	K216-K220 PolarHBondContact O-N 3.13Å; K216-K220 VanDerWaalsContact O-N 3.14Å; N217-K220 PolarHBondContact O-N 3.42Å; F218-K220 VanDerWaalsContact C-N 3.3Å; F218-K220 PolarHBondContact O-N 2.79Å
221	T	69.5	Low	70.9	Confident	41 Å²	41	60.4 Å²	60.4	25%	0.252	31%	0.314	S	S	.	.	H	α-helix	trans	-74.3	-46.4	176.1	-59	0	0	0	0	111.4	N217 F218 Y219 K224	N217-T221 PolarHBondContact O-N 3.43Å; N217-T221 PolarHBondContact O-OG1 3.13Å; N217-T221 VanDerWaalsContact O-OG1 3.07Å; F218-T221 PolarHBondContact O-N 3.29Å; F218-T221 VanDerWaalsContact O-N 3.08Å; Y219-T221 VanDerWaalsContact C-N 3.25Å; Y219-T221 PolarHBondContact O-N 2.9Å; T221-K224 PolarHBondContact O-N 2.97Å
222	V	66.9	Low	70.1	Confident	10 Å²	10	67.9 Å²	67.9	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-35.4	-179.2	178.1	0	0	0	0	112.2	F218 Y219 K224 E225 I229 T233	F218-V222 WeakPolarHBondContact O-CG2 3.34Å; F218-V222 PolarHBondContact O-N 3.27Å; Y219-V222 PolarHBondContact O-N 3.39Å; V222-K224 PolarHBondContact O-N 3.34Å; V222-E225 WeakPolarHBondContact O-CB 3.4Å; V222-E225 PolarHBondContact O-N 2.71Å; V222-I229 HydrophobicContact CG1-CG2 4.11Å; V222-T233 HydrophobicContact CG1-CG2 4.11Å
223	N	61.9	Low	69.4	Low	98 Å²	98	68.3 Å²	68.3	52%	0.524	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.7	177.9	-75.1	-17.9	0	0	0	114.1	Y219 E225 L230	Y219-N223 VanDerWaalsContact O-CB 3.22Å; Y219-N223 WeakPolarHBondContact O-CB 3.31Å; Y219-N223 PolarHBondContact O-N 2.7Å; Y219-N223 PolarHBondContact O-ND2 3.45Å; N223-E225 VanDerWaalsContact C-N 3.29Å; N223-L230 WeakPolarHBondContact OD1-CD2 3.25Å
224	K	67	Low	69.1	Low	142 Å²	142	67.5 Å²	67.5	62%	0.617	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.2	171.7	-65.5	176.5	-179.6	178.2	0	113.2	K107 T221 V222	K107-K224 PolarHBondContact NZ-O 2.63Å; T221-K224 PolarHBondContact O-N 2.97Å; V222-K224 PolarHBondContact O-N 3.34Å
225	E	65.4	Low	69.1	Low	26 Å²	26	71.9 Å²	71.9	12%	0.121	37%	0.367	C	S	.	.	S	Bend	trans	-92.1	162.3	-175.8	-67.1	-57.5	148.2	0	0	112.7	V222 N223 I229 R267 Y269	V222-E225 WeakPolarHBondContact O-CB 3.4Å; V222-E225 PolarHBondContact O-N 2.71Å; N223-E225 VanDerWaalsContact C-N 3.29Å; E225-I229 HydrophobicContact CB-CD1 3.84Å; E225-I229 HydrophobicContact CG-CD1 4.44Å; E225-R267 IonicContact OE1-NH1 3.66Å; E225-Y269 PolarHBondContact OE1-OH 3.41Å
226	P	59.2	Low	69.4	Low	34 Å²	34	72.3 Å²	72.3	22%	0.221	37%	0.368	C	S	.	.			trans	-62.1	147.3	-174.5	23.8	-33.8	0	0	0	112.2	K107 C228 I229	K107-P226 HydrophobicContact CB-CG 4.09Å; P226-C228 PolarHBondContact O-N 2.9Å; P226-I229 HydrophobicContact CG-CD1 4.4Å; P226-I229 PolarHBondContact O-N 2.86Å
227	C	54.5	Low	70	Confident	99 Å²	99	66.4 Å²	66.4	67%	0.669	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-50.1	-29.6	-174.4	-173.1	0	0	0	0	114.4	I229 L230	C227-I229 PolarHBondContact O-N 2.97Å; C227-I229 VanDerWaalsContact O-N 3.11Å; C227-L230 HydrophobicContact CB-CD1 4.43Å; C227-L230 WeakPolarHBondContact O-CB 3.4Å; C227-L230 PolarHBondContact O-N 3.16Å
228	C	54.9	Low	70.6	Confident	101 Å²	101	63 Å²	63	68%	0.682	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-56.7	-27.6	176.1	-56.2	0	0	0	0	113.6	P226	P226-C228 PolarHBondContact O-N 2.9Å
229	I	59.8	Low	71.5	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.077	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-77.6	-27	178.5	-59.8	-177.6	0	0	0	111.4	T111 V222 E225 P226 C227 L231 W232 T233	T111-I229 HydrophobicContact CG2-CD1 3.47Å; T111-I229 VanDerWaalsContact CG2-CD1 3.47Å; T111-I229 HydrophobicContact CG2-CG1 4.14Å; T111-I229 WeakPolarHBondContact OG1-CD1 3.37Å; V222-I229 HydrophobicContact CG1-CG2 4.11Å; E225-I229 HydrophobicContact CB-CD1 3.84Å; E225-I229 HydrophobicContact CG-CD1 4.44Å; P226-I229 HydrophobicContact CG-CD1 4.4Å; P226-I229 PolarHBondContact O-N 2.86Å; C227-I229 PolarHBondContact O-N 2.97Å; C227-I229 VanDerWaalsContact O-N 3.11Å; I229-L231 VanDerWaalsContact C-N 3.25Å; I229-L231 PolarHBondContact O-N 3.2Å; I229-W232 CarbonylContact O-C 3.55Å; I229-W232 WeakPolarHBondContact O-CA 3.47Å; I229-W232 PolarHBondContact O-N 2.98Å; I229-T233 PolarHBondContact O-N 3.5Å; I229-T233 PolarHBondContact O-OG1 3.42Å; I229-T233 VanDerWaalsContact O-OG1 3.08Å
230	L	59.4	Low	72.6	Confident	88 Å²	88	63 Å²	63	46%	0.461	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-57.3	-39.1	-175.5	-75.3	161.6	0	0	0	112.2	N223 C227 W232 T233	N223-L230 WeakPolarHBondContact OD1-CD2 3.25Å; C227-L230 HydrophobicContact CB-CD1 4.43Å; C227-L230 WeakPolarHBondContact O-CB 3.4Å; C227-L230 PolarHBondContact O-N 3.16Å; L230-W232 VanDerWaalsContact C-N 3.33Å; L230-W232 PolarHBondContact O-N 3.31Å; L230-T233 VanDerWaalsContact C-OG1 3.25Å; L230-T233 WeakPolarHBondContact CA-OG1 3.26Å; L230-T233 WeakPolarHBondContact O-CB 3.33Å; L230-T233 PolarHBondContact O-N 3.13Å; L230-T233 PolarHBondContact O-OG1 3.09Å
231	L	61.5	Low	73.7	Confident	150 Å²	150	56.1 Å²	56.1	79%	0.785	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-69.2	-30.2	177	-163.1	76.6	0	0	0	112.9	I229	I229-L231 VanDerWaalsContact C-N 3.25Å; I229-L231 PolarHBondContact O-N 3.2Å
232	W	75	Confident	75	Confident	156 Å²	156	56.2 Å²	56.2	59%	0.591	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-97.8	2.5	-178.6	-63.6	85.4	0	0	0	113	I229 L230 P234 L235 Y236	I229-W232 CarbonylContact O-C 3.55Å; I229-W232 WeakPolarHBondContact O-CA 3.47Å; I229-W232 PolarHBondContact O-N 2.98Å; L230-W232 VanDerWaalsContact C-N 3.33Å; L230-W232 PolarHBondContact O-N 3.31Å; W232-P234 VanDerWaalsContact C-CD 3.4Å; W232-P234 VanDerWaalsContact C-N 3.31Å; W232-L235 HydrophobicContact CE3-CD1 3.6Å; W232-L235 HydrophobicContact CZ3-CD1 3.72Å; W232-L235 PolarHBondContact O-N 3.04Å; W232-L235 VanDerWaalsContact O-N 3.12Å; W232-Y236 WeakPolarHBondContact O-CB 3.45Å; W232-Y236 PolarHBondContact O-N 3.26Å
233	T	77.4	Confident	76.3	Confident	10 Å²	10	55.8 Å²	55.8	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-50.4	-44.5	-179.1	-46	0	0	0	0	112.6	I155 Y219 V222 I229 L230 L235 Y236 R237	I155-T233 VanDerWaalsContact CD1-C 3.47Å; I155-T233 HydrophobicContact CD1-CG2 3.72Å; I155-T233 WeakPolarHBondContact CD1-O 3.45Å; Y219-T233 HydrophobicContact CE1-CG2 4.21Å; V222-T233 HydrophobicContact CG1-CG2 4.11Å; I229-T233 PolarHBondContact O-N 3.5Å; I229-T233 PolarHBondContact O-OG1 3.42Å; I229-T233 VanDerWaalsContact O-OG1 3.08Å; L230-T233 VanDerWaalsContact C-OG1 3.25Å; L230-T233 WeakPolarHBondContact CA-OG1 3.26Å; L230-T233 WeakPolarHBondContact O-CB 3.33Å; L230-T233 PolarHBondContact O-N 3.13Å; L230-T233 PolarHBondContact O-OG1 3.09Å; T233-L235 PolarHBondContact O-N 2.86Å; T233-Y236 PolarHBondContact O-N 2.76Å; T233-R237 WeakPolarHBondContact O-CB 3.23Å; T233-R237 PolarHBondContact O-N 3.49Å
234	P	82.1	Confident	78	Confident	38 Å²	38	51.1 Å²	51.1	25%	0.247	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-50	178.2	-26	36.1	0	0	0	113	T152 I155 W232 R237 G238	T152-P234 WeakPolarHBondContact CG2-O 3.41Å; T152-P234 WeakPolarHBondContact O-CB 3.43Å; I155-P234 HydrophobicContact CB-CB 4.32Å; I155-P234 HydrophobicContact CB-CG 3.93Å; I155-P234 HydrophobicContact CD1-CB 4.21Å; I155-P234 HydrophobicContact CD1-CG 4.23Å; I155-P234 HydrophobicContact CG1-CB 4.06Å; I155-P234 HydrophobicContact CG1-CG 4.15Å; I155-P234 HydrophobicContact CG2-CG 4.01Å; W232-P234 VanDerWaalsContact C-CD 3.4Å; W232-P234 VanDerWaalsContact C-N 3.31Å; P234-R237 PolarHBondContact O-N 2.88Å; P234-G238 PolarHBondContact O-N 3.23Å; P234-G238 VanDerWaalsContact O-N 3.12Å
235	L	86.6	Confident	79.3	Confident	105 Å²	105	44.4 Å²	44.4	55%	0.55	24%	0.239	S	C	.	.	H	α-helix	trans	-70.1	-38.4	-178.8	-66.3	173.5	0	0	0	111.4	W232 T233 G238 L239	W232-L235 HydrophobicContact CE3-CD1 3.6Å; W232-L235 HydrophobicContact CZ3-CD1 3.72Å; W232-L235 PolarHBondContact O-N 3.04Å; W232-L235 VanDerWaalsContact O-N 3.12Å; T233-L235 PolarHBondContact O-N 2.86Å; L235-G238 PolarHBondContact O-N 2.9Å; L235-L239 WeakPolarHBondContact O-CB 3.48Å; L235-L239 PolarHBondContact O-N 3.38Å
236	Y	86.8	Confident	80.8	Confident	13 Å²	13	43.3 Å²	43.3	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-40.1	176	-174.2	-99.1	0	0	0	111.8	I115 H118 W232 T233 L239 L240 R267	I115-Y236 HydrophobicContact CG1-CD2 4.39Å; I115-Y236 HydrophobicContact CG1-CE2 4.24Å; H118-Y236 AromaticContact NE2-CZ 3.89Å; H118-Y236 PolarHBondContact NE2-OH 3.3Å; W232-Y236 WeakPolarHBondContact O-CB 3.45Å; W232-Y236 PolarHBondContact O-N 3.26Å; T233-Y236 PolarHBondContact O-N 2.76Å; Y236-L239 PolarHBondContact O-N 3.09Å; Y236-L240 WeakPolarHBondContact O-CB 3.25Å; Y236-L240 PolarHBondContact O-N 2.92Å; Y236-R267 VanDerWaalsContact CZ-NH2 3.33Å; Y236-R267 PolarHBondContact OH-NE 3.1Å; Y236-R267 VanDerWaalsContact OH-NE 3.13Å; Y236-R267 PolarHBondContact OH-NH2 3.25Å
237	R	87.2	Confident	82.6	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.045	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-42.4	175.6	-172.3	175.7	-179	-143.9	-6.4	111.6	F151 I155 E170 F211 N215 T233 P234 L240 W241	F151-R237 WeakPolarHBondContact O-CD 3.46Å; I155-R237 HydrophobicContact CD1-CB 3.77Å; I155-R237 HydrophobicContact CD1-CG 4.33Å; E170-R237 IonicContact OE1-CZ 3.17Å; E170-R237 IonicContact OE1-NH2 3.39Å; E170-R237 PolarHBondContact OE1-NH2 2.86Å; E170-R237 IonicContact OE2-CZ 3.24Å; E170-R237 VanDerWaalsContact OE2-CZ 3.25Å; E170-R237 IonicContact OE2-NH1 2.77Å; E170-R237 PolarHBondContact OE2-NH1 3.13Å; E170-R237 IonicContact OE2-NH2 3.65Å; E170-R237 PolarHBondContact OE2-NH2 3.18Å; F211-R237 HydrophobicContact CE1-CG 3.91Å; F211-R237 HydrophobicContact CZ-CG 3.85Å; N215-R237 PolarHBondContact OD1-NE 3.1Å; N215-R237 PolarHBondContact OD1-NH1 3.29Å; N215-R237 PolarHBondContact OD1-NH2 2.96Å; T233-R237 WeakPolarHBondContact O-CB 3.23Å; T233-R237 PolarHBondContact O-N 3.49Å; P234-R237 PolarHBondContact O-N 2.88Å; R237-L240 PolarHBondContact O-N 3Å; R237-W241 PolarHBondContact O-N 3.46Å
238	G	91.7	Very high	84.5	Confident	1 Å²	1	37 Å²	37	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-44.7	171.8	0	0	0	0	0	113.5	P234 L235 L240 W241 L242	P234-G238 PolarHBondContact O-N 3.23Å; P234-G238 VanDerWaalsContact O-N 3.12Å; L235-G238 PolarHBondContact O-N 2.9Å; G238-L240 VanDerWaalsContact C-N 3.34Å; G238-W241 PolarHBondContact O-N 3.34Å; G238-L242 WeakPolarHBondContact O-CB 3.41Å; G238-L242 WeakPolarHBondContact O-CG 3.45Å; G238-L242 PolarHBondContact O-N 2.87Å
239	L	92.9	Very high	86.4	Confident	35 Å²	35	32.4 Å²	32.4	18%	0.183	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-43.4	176.3	179.8	68.9	0	0	0	111.4	I115 H118 I119 I122 L235 Y236 L242 S243	I115-L239 HydrophobicContact CG1-CD2 4.39Å; I115-L239 HydrophobicContact CG2-CD2 4.15Å; H118-L239 HydrophobicContact CB-CD1 4.16Å; H118-L239 HydrophobicContact CB-CD2 4Å; H118-L239 HydrophobicContact CB-CG 3.82Å; I119-L239 HydrophobicContact CG1-CD1 4.2Å; I122-L239 HydrophobicContact CD1-CD1 3.59Å; L235-L239 WeakPolarHBondContact O-CB 3.48Å; L235-L239 PolarHBondContact O-N 3.38Å; Y236-L239 PolarHBondContact O-N 3.09Å; L239-L242 PolarHBondContact O-N 3.31Å; L239-S243 VanDerWaalsContact O-CB 3.24Å; L239-S243 WeakPolarHBondContact O-CB 3.39Å; L239-S243 PolarHBondContact O-N 3.46Å
240	L	92.8	Very high	88.1	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-46.8	176.6	176.3	61.7	0	0	0	110.9	H118 F211 F218 Y236 R237 G238 S243 Y244 Y262 E263	H118-L240 VanDerWaalsContact CE1-CD1 3.47Å; H118-L240 WeakPolarHBondContact CE1-CD1 3.41Å; F211-L240 HydrophobicContact CE2-CD2 4.02Å; F211-L240 HydrophobicContact CE2-CG 4Å; F211-L240 HydrophobicContact CZ-CD2 4.37Å; F211-L240 HydrophobicContact CZ-CG 4.42Å; F218-L240 HydrophobicContact CD1-CD2 3.94Å; F218-L240 HydrophobicContact CE1-CD2 3.63Å; F218-L240 HydrophobicContact CZ-CD2 4.42Å; Y236-L240 WeakPolarHBondContact O-CB 3.25Å; Y236-L240 PolarHBondContact O-N 2.92Å; R237-L240 PolarHBondContact O-N 3Å; G238-L240 VanDerWaalsContact C-N 3.34Å; L240-S243 PolarHBondContact O-N 3.37Å; L240-Y244 WeakPolarHBondContact O-CB 3.41Å; L240-Y244 PolarHBondContact O-N 2.97Å; L240-Y262 HydrophobicContact CD1-CD1 4.04Å; L240-Y262 HydrophobicContact CD1-CE1 4.31Å; L240-E263 HydrophobicContact CD1-CB 4.1Å; L240-E263 HydrophobicContact CD1-CG 4.26Å; L240-E263 HydrophobicContact CD2-CB 4.43Å; L240-E263 HydrophobicContact CD2-CG 4.33Å
241	W	94.6	Very high	89.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.7	-52.7	174.4	166.2	-109.1	0	0	0	111.5	L147 F151 I204 K207 C208 F211 R237 G238 S243 Y244 C245	L147-W241 HydrophobicContact CB-CZ2 3.96Å; L147-W241 HydrophobicContact CD1-CH2 4.33Å; L147-W241 HydrophobicContact CD1-CZ2 3.65Å; L147-W241 HydrophobicContact CG-CZ2 4.46Å; F151-W241 HydrophobicContact CD2-CB 4.05Å; F151-W241 AromaticContact CD2-CD1 3.85Å; F151-W241 AromaticContact CD2-CD2 3.58Å; F151-W241 HydrophobicContact CD2-CD2 3.58Å; F151-W241 HydrophobicContact CD2-CE3 4.09Å; F151-W241 AromaticContact CD2-CG 3.52Å; F151-W241 HydrophobicContact CD2-CG 3.52Å; F151-W241 AromaticContact CE2-CD2 3.54Å; F151-W241 HydrophobicContact CE2-CD2 3.54Å; F151-W241 AromaticContact CE2-CE2 3.77Å; F151-W241 AromaticContact CE2-CE3 3.72Å; F151-W241 HydrophobicContact CE2-CE3 3.72Å; F151-W241 HydrophobicContact CE2-CG 4.02Å; F151-W241 HydrophobicContact CE2-CH2 4.39Å; F151-W241 HydrophobicContact CE2-CZ2 4.19Å; F151-W241 HydrophobicContact CE2-CZ3 4.16Å; I204-W241 HydrophobicContact CG2-CH2 4.41Å; I204-W241 HydrophobicContact CG2-CZ2 4.36Å; K207-W241 HydrophobicContact CB-CH2 4.2Å; K207-W241 HydrophobicContact CB-CZ3 4.07Å; C208-W241 VanDerWaalsContact CA-CH2 3.49Å; C208-W241 VanDerWaalsContact CA-CZ3 3.44Å; C208-W241 HydrophobicContact CB-CH2 3.32Å; C208-W241 HydrophobicContact CB-CZ2 3.94Å; C208-W241 HydrophobicContact CB-CZ3 3.8Å; F211-W241 HydrophobicContact CB-CE3 3.94Å; F211-W241 HydrophobicContact CB-CZ3 4.05Å; F211-W241 HydrophobicContact CD1-CB 4.47Å; F211-W241 HydrophobicContact CD1-CE3 4.06Å; F211-W241 HydrophobicContact CD2-CE3 4.14Å; F211-W241 HydrophobicContact CE1-CB 3.96Å; F211-W241 HydrophobicContact CE2-CB 4.37Å; F211-W241 AromaticContact CG-CE3 3.78Å; F211-W241 HydrophobicContact CG-CE3 3.78Å; F211-W241 HydrophobicContact CG-CZ3 4.38Å; F211-W241 HydrophobicContact CZ-CB 3.9Å; R237-W241 PolarHBondContact O-N 3.46Å; G238-W241 PolarHBondContact O-N 3.34Å; W241-S243 VanDerWaalsContact C-N 3.31Å; W241-S243 PolarHBondContact O-N 3.27Å; W241-Y244 HydrophobicContact CE3-CD1 4.15Å; W241-Y244 HydrophobicContact CZ3-CD1 4.04Å; W241-Y244 HydrophobicContact CZ3-CE1 4.33Å; W241-Y244 PolarHBondContact O-N 3.05Å; W241-C245 HydrophobicContact CD2-CB 4.36Å; W241-C245 HydrophobicContact CE3-CB 4.45Å; W241-C245 HydrophobicContact CH2-CB 3.77Å; W241-C245 HydrophobicContact CZ2-CB 3.71Å; W241-C245 HydrophobicContact CZ3-CB 4.17Å; W241-C245 WeakPolarHBondContact O-CB 3.37Å; W241-C245 PolarHBondContact O-N 3.38Å; W241-C245 PolarHBondContact O-SG 3.4Å
242	L	96.5	Very high	91.1	Very high	43 Å²	43	20.6 Å²	20.6	23%	0.225	10%	0.099	C	C	.	.	H	α-helix	trans	-55.9	-47.1	178.9	-80	173.7	0	0	0	111.7	I122 I144 T148 G238 L239 C245 L246	I122-L242 HydrophobicContact CD1-CB 3.63Å; I122-L242 HydrophobicContact CD1-CD1 4.41Å; I122-L242 HydrophobicContact CG1-CB 4Å; I144-L242 HydrophobicContact CG2-CD2 3.54Å; T148-L242 HydrophobicContact CG2-CD1 3.82Å; T148-L242 HydrophobicContact CG2-CD2 4.2Å; T148-L242 HydrophobicContact CG2-CG 3.74Å; T148-L242 WeakPolarHBondContact OG1-CD2 3.11Å; T148-L242 WeakPolarHBondContact OG1-CG 3.36Å; G238-L242 WeakPolarHBondContact O-CB 3.41Å; G238-L242 WeakPolarHBondContact O-CG 3.45Å; G238-L242 PolarHBondContact O-N 2.87Å; L239-L242 PolarHBondContact O-N 3.31Å; L242-C245 PolarHBondContact O-SG 2.86Å; L242-L246 HydrophobicContact CD2-CD1 4.42Å; L242-L246 WeakPolarHBondContact O-CB 3.49Å; L242-L246 PolarHBondContact O-N 3.44Å
243	S	95.8	Very high	91.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.6	-42.6	178.7	-173.8	0	0	0	0	112.3	H118 S121 L239 L240 W241 C247 Y262	H118-S243 VanDerWaalsContact CA-OG 3.29Å; H118-S243 WeakPolarHBondContact CA-OG 3.42Å; H118-S243 VanDerWaalsContact ND1-CB 3.26Å; H118-S243 WeakPolarHBondContact ND1-CB 3.43Å; H118-S243 PolarHBondContact ND1-OG 2.87Å; H118-S243 PolarHBondContact O-OG 3.49Å; S121-S243 WeakPolarHBondContact CB-OG 3.46Å; S121-S243 PolarHBondContact OG-O 3.05Å; L239-S243 VanDerWaalsContact O-CB 3.24Å; L239-S243 WeakPolarHBondContact O-CB 3.39Å; L239-S243 PolarHBondContact O-N 3.46Å; L240-S243 PolarHBondContact O-N 3.37Å; W241-S243 VanDerWaalsContact C-N 3.31Å; W241-S243 PolarHBondContact O-N 3.27Å; S243-C247 PolarHBondContact O-N 3.05Å; S243-C247 VanDerWaalsContact O-N 3.14Å; S243-Y262 PolarHBondContact O-OH 3.42Å; S243-Y262 PolarHBondContact OG-OH 2.84Å
244	Y	95.9	Very high	92	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-70.3	-45.5	-179.4	171.7	-118.8	0	0	0	112.1	K207 F211 L240 W241 C247 F257 P259 Y262	K207-Y244 HydrophobicContact CB-CD1 4.17Å; K207-Y244 HydrophobicContact CB-CE1 3.41Å; K207-Y244 VanDerWaalsContact CB-CE1 3.41Å; K207-Y244 HydrophobicContact CD-CD1 4.19Å; K207-Y244 HydrophobicContact CD-CE1 3.82Å; K207-Y244 HydrophobicContact CD-CE2 4.28Å; K207-Y244 HydrophobicContact CG-CD1 4.37Å; K207-Y244 HydrophobicContact CG-CE1 3.55Å; K207-Y244 HydrophobicContact CG-CE2 4.36Å; K207-Y244 WeakPolarHBondContact CG-OH 3.44Å; K207-Y244 PolarHBondContact NZ-O 2.9Å; F211-Y244 HydrophobicContact CD2-CD1 4.36Å; L240-Y244 WeakPolarHBondContact O-CB 3.41Å; L240-Y244 PolarHBondContact O-N 2.97Å; W241-Y244 HydrophobicContact CE3-CD1 4.15Å; W241-Y244 HydrophobicContact CZ3-CD1 4.04Å; W241-Y244 HydrophobicContact CZ3-CE1 4.33Å; W241-Y244 PolarHBondContact O-N 3.05Å; Y244-C247 WeakPolarHBondContact O-CB 3.36Å; Y244-C247 PolarHBondContact O-N 3.36Å; Y244-F257 AromaticContact CD2-CE2 3.77Å; Y244-F257 HydrophobicContact CD2-CE2 3.77Å; Y244-F257 AromaticContact CD2-CZ 3.85Å; Y244-F257 HydrophobicContact CD2-CZ 3.85Å; Y244-F257 AromaticContact CE2-CD2 3.88Å; Y244-F257 HydrophobicContact CE2-CD2 3.88Å; Y244-F257 HydrophobicContact CE2-CE1 4.26Å; Y244-F257 AromaticContact CE2-CE2 3.5Å; Y244-F257 HydrophobicContact CE2-CE2 3.5Å; Y244-F257 HydrophobicContact CE2-CG 4.45Å; Y244-F257 AromaticContact CE2-CZ 3.7Å; Y244-F257 HydrophobicContact CE2-CZ 3.7Å; Y244-F257 WeakPolarHBondContact CE2-O 3.38Å; Y244-F257 PolarHBondContact OH-O 3.33Å; Y244-P259 HydrophobicContact CD1-CB 4.09Å; Y244-P259 HydrophobicContact CD2-CB 4.39Å; Y244-P259 HydrophobicContact CE1-CB 3.66Å; Y244-P259 HydrophobicContact CE2-CB 4Å; Y244-P259 HydrophobicContact CG-CB 4.42Å; Y244-Y262 AromaticContact CD2-CD1 3.87Å; Y244-Y262 HydrophobicContact CD2-CD1 3.87Å; Y244-Y262 HydrophobicContact CD2-CD2 4.39Å; Y244-Y262 AromaticContact CD2-CG 3.74Å; Y244-Y262 HydrophobicContact CD2-CG 3.74Å; Y244-Y262 HydrophobicContact CG-CD1 4.2Å
245	C	96	Very high	92.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.8	-40.9	179.6	73.3	0	0	0	0	111.3	W241 L242 C247	W241-C245 HydrophobicContact CD2-CB 4.36Å; W241-C245 HydrophobicContact CE3-CB 4.45Å; W241-C245 HydrophobicContact CH2-CB 3.77Å; W241-C245 HydrophobicContact CZ2-CB 3.71Å; W241-C245 HydrophobicContact CZ3-CB 4.17Å; W241-C245 WeakPolarHBondContact O-CB 3.37Å; W241-C245 PolarHBondContact O-N 3.38Å; W241-C245 PolarHBondContact O-SG 3.4Å; L242-C245 PolarHBondContact O-SG 2.86Å; C245-C247 VanDerWaalsContact C-N 3.28Å; C245-C247 PolarHBondContact O-N 3Å
246	L	95.9	Very high	93	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	19.5	177.3	-65	166.7	0	0	0	113.3	I122 G125 L126 I144 L242 P248 L251	I122-L246 HydrophobicContact CG2-CD1 3.94Å; G125-L246 WeakPolarHBondContact CA-O 3.31Å; L126-L246 HydrophobicContact CD2-CD1 3.96Å; L126-L246 HydrophobicContact CD2-CD2 4.12Å; L126-L246 HydrophobicContact CG-CD1 4.1Å; I144-L246 HydrophobicContact CD1-CD2 3.69Å; I144-L246 HydrophobicContact CD1-CG 4.21Å; L242-L246 HydrophobicContact CD2-CD1 4.42Å; L242-L246 WeakPolarHBondContact O-CB 3.49Å; L242-L246 PolarHBondContact O-N 3.44Å; L246-P248 WeakPolarHBondContact O-CD 3.48Å; L246-P248 VanDerWaalsContact O-N 3.16Å; L246-L251 HydrophobicContact CD2-CD1 4.46Å; L246-L251 HydrophobicContact CD2-CD2 4.07Å
247	C	96.4	Very high	93.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.			trans	-61.3	119.8	174.1	175.7	0	0	0	0	110	S243 Y244 C245 A249 S250 L251 F257 Y262 L346	S243-C247 PolarHBondContact O-N 3.05Å; S243-C247 VanDerWaalsContact O-N 3.14Å; Y244-C247 WeakPolarHBondContact O-CB 3.36Å; Y244-C247 PolarHBondContact O-N 3.36Å; C245-C247 VanDerWaalsContact C-N 3.28Å; C245-C247 PolarHBondContact O-N 3Å; C247-A249 PolarHBondContact O-N 2.84Å; C247-A249 VanDerWaalsContact O-N 3.16Å; C247-S250 PolarHBondContact O-N 3.25Å; C247-S250 VanDerWaalsContact O-N 3.09Å; C247-S250 PolarHBondContact O-OG 3.01Å; C247-L251 PolarHBondContact O-N 3.24Å; C247-L251 VanDerWaalsContact O-N 3.09Å; C247-F257 HydrophobicContact CB-CZ 4.3Å; C247-Y262 HydrophobicContact CB-CE2 4.33Å; C247-L346 VanDerWaalsContact SG-CD2 3.59Å
248	P	95.5	Very high	93.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.5	-172	22.2	-33.5	0	0	0	112.8	I84 L124 V128 L246 S250	I84-P248 WeakPolarHBondContact CG2-O 3.24Å; L124-P248 HydrophobicContact CB-CG 4.21Å; V128-P248 HydrophobicContact CG2-CB 4.05Å; L246-P248 WeakPolarHBondContact O-CD 3.48Å; L246-P248 VanDerWaalsContact O-N 3.16Å; P248-S250 PolarHBondContact O-N 3.39Å
249	A	95.6	Very high	93.6	Very high	4 Å²	4	11.5 Å²	11.5	3%	0.033	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.2	-179.3	0	0	0	0	0	114.6	C88 C247 M343 L346	C88-A249 VanDerWaalsContact SG-CB 3.59Å; C247-A249 PolarHBondContact O-N 2.84Å; C247-A249 VanDerWaalsContact O-N 3.16Å; A249-M343 HydrophobicContact CB-CG 4.48Å; A249-M343 HydrophobicContact CB-SD 3.68Å; A249-L346 HydrophobicContact CB-CB 4.32Å; A249-L346 HydrophobicContact CB-CD2 3.99Å
250	S	95.3	Very high	93.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-12	-168.4	53.4	0	0	0	0	115.4	K207 C247 P248 L252 F257	K207-S250 PolarHBondContact NZ-OG 2.86Å; C247-S250 PolarHBondContact O-N 3.25Å; C247-S250 VanDerWaalsContact O-N 3.09Å; C247-S250 PolarHBondContact O-OG 3.01Å; P248-S250 PolarHBondContact O-N 3.39Å; S250-L252 PolarHBondContact O-N 3.47Å; S250-F257 WeakPolarHBondContact OG-CE1 3.2Å
251	L	93.8	Very high	93.1	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-41.7	-173.7	177.4	61.7	0	0	0	114.1	L129 S200 I204 L246 C247	L129-L251 HydrophobicContact CB-CD2 3.96Å; L129-L251 HydrophobicContact CD1-CD2 4.33Å; S200-L251 WeakPolarHBondContact CA-O 3.25Å; S200-L251 VanDerWaalsContact CB-O 3.31Å; S200-L251 WeakPolarHBondContact CB-O 3.35Å; S200-L251 PolarHBondContact OG-O 3.47Å; I204-L251 HydrophobicContact CD1-CD1 4.18Å; I204-L251 HydrophobicContact CG1-CD1 4.47Å; L246-L251 HydrophobicContact CD2-CD1 4.46Å; L246-L251 HydrophobicContact CD2-CD2 4.07Å; C247-L251 PolarHBondContact O-N 3.24Å; C247-L251 VanDerWaalsContact O-N 3.09Å
252	L	88.5	Confident	92.9	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.026	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-49.5	-171.5	-62.2	-178.5	0	0	0	113.6	L80 I84 V128 L129 A132 Y134 S200 S250	L80-L252 HydrophobicContact CD1-CD1 3.98Å; L80-L252 HydrophobicContact CD2-CD1 4.14Å; L80-L252 HydrophobicContact CG-CD1 4.36Å; I84-L252 HydrophobicContact CD1-CD1 4.3Å; V128-L252 HydrophobicContact CG1-CD1 3.49Å; V128-L252 VanDerWaalsContact CG1-CD1 3.49Å; V128-L252 HydrophobicContact CG1-CG 4.03Å; L129-L252 HydrophobicContact CD1-CD2 4.25Å; A132-L252 HydrophobicContact CB-CD1 3.47Å; A132-L252 VanDerWaalsContact CB-CD1 3.47Å; A132-L252 HydrophobicContact CB-CD2 4.09Å; A132-L252 HydrophobicContact CB-CG 4.45Å; Y134-L252 HydrophobicContact CE2-CD2 3.63Å; S200-L252 WeakPolarHBondContact OG-CD2 3.24Å; S250-L252 PolarHBondContact O-N 3.47Å
253	F	80.7	Confident	92.6	Very high	79 Å²	79	11.9 Å²	11.9	35%	0.346	6%	0.056	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	19.3	-169.4	-60.3	-60.7	0	0	0	112.4	L80 I84 I335 S339	L80-F253 HydrophobicContact CD2-CE2 3.76Å; L80-F253 HydrophobicContact CD2-CZ 4.47Å; I84-F253 HydrophobicContact CD1-CD2 4.34Å; F253-I335 HydrophobicContact CB-CG2 4.17Å; F253-I335 HydrophobicContact CD1-CD1 4.01Å; F253-I335 HydrophobicContact CG-CD1 4.32Å; F253-S339 VanDerWaalsContact O-CB 3.22Å; F253-S339 WeakPolarHBondContact O-CB 3.37Å
254	G	90.8	Very high	92.1	Very high	7 Å²	7	14.2 Å²	14.2	7%	0.072	7%	0.067	C	C	.	.			trans	-113.9	171.6	-176.1	0	0	0	0	0	115.1	I203 S339	I203-G254 WeakPolarHBondContact CD1-O 3.37Å; I203-G254 WeakPolarHBondContact CG1-O 3.3Å; G254-S339 VanDerWaalsContact CA-CB 3.49Å
255	P	94.9	Very high	91.7	Very high	4 Å²	4	15 Å²	15	3%	0.026	7%	0.071	C	C	.	.			trans	-74.5	159.8	-168.5	31.8	-36.8	0	0	0	110.7	F257 M343 V375 V377 P399	P255-F257 WeakPolarHBondContact O-CD1 3.26Å; P255-M343 HydrophobicContact CG-CG 3.95Å; P255-M343 HydrophobicContact CG-SD 4.46Å; P255-V375 HydrophobicContact CG-CG1 4.36Å; P255-V377 HydrophobicContact CB-CG1 4.34Å; P255-V377 HydrophobicContact CB-CG2 3.71Å; P255-V377 HydrophobicContact CG-CG2 3.73Å; P255-P399 HydrophobicContact CB-CB 3.94Å; P255-P399 HydrophobicContact CB-CG 3.65Å
256	W	95.9	Very high	91.3	Very high	13 Å²	13	15 Å²	15	5%	0.049	7%	0.071	C	C	.	.			trans	-65.3	149.2	155.5	171.5	83.9	0	0	0	109.8	M206 S210 N258 P399 T402 W403 Y407	M206-W256 HydrophobicContact CB-CB 4.36Å; M206-W256 HydrophobicContact CB-CG 4.24Å; M206-W256 HydrophobicContact CE-CB 3.4Å; M206-W256 VanDerWaalsContact CE-CB 3.4Å; M206-W256 HydrophobicContact CE-CG 3.87Å; M206-W256 HydrophobicContact SD-CB 4.22Å; S210-W256 PolarHBondContact OG-NE1 2.88Å; W256-N258 HydrophobicContact CH2-CB 4.42Å; W256-N258 HydrophobicContact CZ2-CB 4.45Å; W256-P399 HydrophobicContact CE3-CB 4.26Å; W256-P399 VanDerWaalsContact CE3-O 3.27Å; W256-P399 VanDerWaalsContact O-CB 3.24Å; W256-P399 WeakPolarHBondContact O-CB 3.32Å; W256-T402 HydrophobicContact CZ3-CG2 4.17Å; W256-W403 AromaticContact CD1-CD1 3.77Å; W256-W403 HydrophobicContact CD2-CB 3.88Å; W256-W403 AromaticContact CD2-CD1 3.73Å; W256-W403 HydrophobicContact CD2-CG 4.13Å; W256-W403 AromaticContact CE2-CD1 3.44Å; W256-W403 VanDerWaalsContact CE2-CD1 3.44Å; W256-W403 HydrophobicContact CE3-CB 3.79Å; W256-W403 HydrophobicContact CG-CB 4.36Å; W256-W403 AromaticContact CG-CD1 3.96Å; W256-W403 HydrophobicContact CG-CG 4.35Å; W256-W403 AromaticContact CZ2-CD1 3.88Å; W256-W403 HydrophobicContact CZ3-CB 4.11Å; W256-W403 AromaticContact NE1-CD1 3.44Å; W256-Y407 AromaticContact CH2-CE2 3.82Å; W256-Y407 HydrophobicContact CH2-CE2 3.82Å; W256-Y407 HydrophobicContact CZ2-CD2 4.42Å; W256-Y407 AromaticContact CZ2-CE2 3.44Å; W256-Y407 HydrophobicContact CZ2-CE2 3.44Å; W256-Y407 VanDerWaalsContact CZ2-CE2 3.44Å
257	F	94.2	Very high	90.7	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.035	7%	0.072	C	C	.	.			trans	-153.6	154.3	172.6	57.9	-82.9	0	0	0	109.3	Y244 C247 S250 P255 Y262 M343 Y348	Y244-F257 AromaticContact CD2-CE2 3.77Å; Y244-F257 HydrophobicContact CD2-CE2 3.77Å; Y244-F257 AromaticContact CD2-CZ 3.85Å; Y244-F257 HydrophobicContact CD2-CZ 3.85Å; Y244-F257 AromaticContact CE2-CD2 3.88Å; Y244-F257 HydrophobicContact CE2-CD2 3.88Å; Y244-F257 HydrophobicContact CE2-CE1 4.26Å; Y244-F257 AromaticContact CE2-CE2 3.5Å; Y244-F257 HydrophobicContact CE2-CE2 3.5Å; Y244-F257 HydrophobicContact CE2-CG 4.45Å; Y244-F257 AromaticContact CE2-CZ 3.7Å; Y244-F257 HydrophobicContact CE2-CZ 3.7Å; Y244-F257 WeakPolarHBondContact CE2-O 3.38Å; Y244-F257 PolarHBondContact OH-O 3.33Å; C247-F257 HydrophobicContact CB-CZ 4.3Å; S250-F257 WeakPolarHBondContact OG-CE1 3.2Å; P255-F257 WeakPolarHBondContact O-CD1 3.26Å; F257-Y262 AromaticContact CE2-CD2 3.58Å; F257-Y262 HydrophobicContact CE2-CD2 3.58Å; F257-Y262 AromaticContact CE2-CG 3.91Å; F257-Y262 HydrophobicContact CE2-CG 3.91Å; F257-Y262 HydrophobicContact CZ-CD2 4.05Å; F257-M343 HydrophobicContact CB-CE 4.3Å; F257-M343 HydrophobicContact CD1-CE 3.69Å; F257-M343 HydrophobicContact CD1-SD 4.38Å; F257-M343 HydrophobicContact CD2-CE 4.35Å; F257-M343 HydrophobicContact CE1-CE 4.06Å; F257-M343 HydrophobicContact CE1-SD 4.35Å; F257-M343 HydrophobicContact CG-CE 3.87Å; F257-Y348 HydrophobicContact CB-CE1 4.25Å; F257-Y348 HydrophobicContact CD2-CD2 4.2Å; F257-Y348 AromaticContact CD2-CE2 3.47Å; F257-Y348 HydrophobicContact CD2-CE2 3.47Å; F257-Y348 VanDerWaalsContact CD2-CE2 3.47Å; F257-Y348 AromaticContact CD2-CZ 3.68Å; F257-Y348 HydrophobicContact CE2-CD2 4.38Å; F257-Y348 AromaticContact CE2-CE2 3.97Å; F257-Y348 HydrophobicContact CE2-CE2 3.97Å; F257-Y348 HydrophobicContact CG-CE2 4.25Å
258	N	90.9	Very high	89.8	Confident	31 Å²	31	16.1 Å²	16.1	17%	0.166	8%	0.076	C	C	.	.			trans	-62.9	131.7	-171.2	-172.3	-60.8	0	0	0	112.1	W256 L260 R261 Y262	W256-N258 HydrophobicContact CH2-CB 4.42Å; W256-N258 HydrophobicContact CZ2-CB 4.45Å; N258-L260 VanDerWaalsContact C-N 3.34Å; N258-L260 PolarHBondContact O-N 3.46Å; N258-L260 VanDerWaalsContact OD1-CB 3.3Å; N258-L260 WeakPolarHBondContact OD1-CB 3.3Å; N258-L260 PolarHBondContact OD1-N 2.66Å; N258-R261 HydrophobicContact CB-CB 4.3Å; N258-R261 HydrophobicContact CB-CG 4.05Å; N258-R261 WeakPolarHBondContact O-CB 3.47Å; N258-R261 PolarHBondContact O-N 3.08Å; N258-Y262 PolarHBondContact O-N 2.76Å
259	P	92	Very high	88.2	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-70.4	-26.6	-175.5	33.2	-40.1	0	0	0	113.2	F211 E214 F218 Y244 Y262 E263	F211-P259 HydrophobicContact CD2-CB 4.01Å; E214-P259 HydrophobicContact CB-CG 4.4Å; E214-P259 HydrophobicContact CG-CG 4.18Å; F218-P259 HydrophobicContact CE2-CB 4.15Å; F218-P259 HydrophobicContact CE2-CG 3.9Å; F218-P259 HydrophobicContact CZ-CB 3.65Å; F218-P259 HydrophobicContact CZ-CG 3.82Å; Y244-P259 HydrophobicContact CD1-CB 4.09Å; Y244-P259 HydrophobicContact CD2-CB 4.39Å; Y244-P259 HydrophobicContact CE1-CB 3.66Å; Y244-P259 HydrophobicContact CE2-CB 4Å; Y244-P259 HydrophobicContact CG-CB 4.42Å; P259-Y262 WeakPolarHBondContact O-CB 3.3Å; P259-Y262 PolarHBondContact O-N 2.81Å; P259-E263 PolarHBondContact O-N 3Å
260	L	87.8	Confident	86.2	Confident	28 Å²	28	20.2 Å²	20.2	15%	0.147	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-40.5	172.9	-63.4	168	0	0	0	110.8	N217 F218 N258 Y262 E263 E264	N217-L260 HydrophobicContact CB-CD1 3.72Å; N217-L260 HydrophobicContact CB-CD2 4.15Å; F218-L260 HydrophobicContact CD1-CD2 3.57Å; F218-L260 HydrophobicContact CD2-CD2 4.12Å; F218-L260 HydrophobicContact CE1-CD2 3.47Å; F218-L260 VanDerWaalsContact CE1-CD2 3.47Å; F218-L260 HydrophobicContact CE1-CG 4.23Å; F218-L260 HydrophobicContact CE2-CD2 4.04Å; F218-L260 HydrophobicContact CE2-CG 4.38Å; F218-L260 HydrophobicContact CG-CD2 3.86Å; F218-L260 HydrophobicContact CZ-CD2 3.69Å; F218-L260 HydrophobicContact CZ-CG 4.03Å; N258-L260 VanDerWaalsContact C-N 3.34Å; N258-L260 PolarHBondContact O-N 3.46Å; N258-L260 VanDerWaalsContact OD1-CB 3.3Å; N258-L260 WeakPolarHBondContact OD1-CB 3.3Å; N258-L260 PolarHBondContact OD1-N 2.66Å; L260-Y262 VanDerWaalsContact C-N 3.29Å; L260-Y262 PolarHBondContact O-N 3.31Å; L260-E263 PolarHBondContact O-N 3.25Å; L260-E264 WeakPolarHBondContact O-CG 3.22Å; L260-E264 PolarHBondContact O-N 3.09Å
261	R	87.9	Confident	84.2	Confident	61 Å²	61	22.3 Å²	22.3	23%	0.23	11%	0.11	C	C	.	.	H	α-helix	trans	-64.5	-35.5	175.9	-69.8	-68.7	177.9	-129	-16	112.2	N258 E264 M265 Y348 K351	N258-R261 HydrophobicContact CB-CB 4.3Å; N258-R261 HydrophobicContact CB-CG 4.05Å; N258-R261 WeakPolarHBondContact O-CB 3.47Å; N258-R261 PolarHBondContact O-N 3.08Å; R261-E264 WeakPolarHBondContact CD-OE2 3.35Å; R261-E264 IonicContact CZ-OE2 2.79Å; R261-E264 IonicContact NE-OE2 2.62Å; R261-E264 IonicContact NH1-OE1 3.46Å; R261-E264 PolarHBondContact NH1-OE1 3.33Å; R261-E264 VanDerWaalsContact NH1-OE1 3.11Å; R261-E264 IonicContact NH1-OE2 3.59Å; R261-E264 PolarHBondContact NH1-OE2 2.96Å; R261-E264 PolarHBondContact O-N 3.36Å; R261-M265 WeakPolarHBondContact O-CB 3.24Å; R261-M265 PolarHBondContact O-N 3.4Å; R261-Y348 HydrophobicContact CB-CE2 4.09Å; R261-Y348 WeakPolarHBondContact CB-OH 3.5Å; R261-K351 VanDerWaalsContact NH1-CD 3.3Å; R261-K351 VanDerWaalsContact NH2-CD 3.33Å
262	Y	91.6	Very high	82	Confident	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-49.9	171.4	-175.6	-112.5	0	0	0	111.7	S121 L240 S243 Y244 C247 F257 N258 P259 L260 E264 M265 V266	S121-Y262 PolarHBondContact OG-OH 2.97Å; S121-Y262 VanDerWaalsContact OG-OH 3.07Å; L240-Y262 HydrophobicContact CD1-CD1 4.04Å; L240-Y262 HydrophobicContact CD1-CE1 4.31Å; S243-Y262 PolarHBondContact O-OH 3.42Å; S243-Y262 PolarHBondContact OG-OH 2.84Å; Y244-Y262 AromaticContact CD2-CD1 3.87Å; Y244-Y262 HydrophobicContact CD2-CD1 3.87Å; Y244-Y262 HydrophobicContact CD2-CD2 4.39Å; Y244-Y262 AromaticContact CD2-CG 3.74Å; Y244-Y262 HydrophobicContact CD2-CG 3.74Å; Y244-Y262 HydrophobicContact CG-CD1 4.2Å; C247-Y262 HydrophobicContact CB-CE2 4.33Å; F257-Y262 AromaticContact CE2-CD2 3.58Å; F257-Y262 HydrophobicContact CE2-CD2 3.58Å; F257-Y262 AromaticContact CE2-CG 3.91Å; F257-Y262 HydrophobicContact CE2-CG 3.91Å; F257-Y262 HydrophobicContact CZ-CD2 4.05Å; N258-Y262 PolarHBondContact O-N 2.76Å; P259-Y262 WeakPolarHBondContact O-CB 3.3Å; P259-Y262 PolarHBondContact O-N 2.81Å; L260-Y262 VanDerWaalsContact C-N 3.29Å; L260-Y262 PolarHBondContact O-N 3.31Å; Y262-E264 VanDerWaalsContact C-N 3.32Å; Y262-E264 PolarHBondContact O-N 3.22Å; Y262-M265 HydrophobicContact CD2-CE 3.83Å; Y262-M265 HydrophobicContact CE2-CE 3.82Å; Y262-M265 PolarHBondContact O-N 3.38Å; Y262-V266 HydrophobicContact CD1-CG2 4.43Å; Y262-V266 HydrophobicContact CD2-CG2 4.48Å; Y262-V266 HydrophobicContact CE1-CG2 4.05Å; Y262-V266 HydrophobicContact CE2-CG2 4.13Å; Y262-V266 WeakPolarHBondContact O-CG2 3.35Å; Y262-V266 PolarHBondContact O-N 2.94Å
263	E	88.9	Confident	80.1	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-42.9	177.7	-170.4	-176	-179.1	0	0	111.3	F218 L240 P259 L260 M265 V266 R267	F218-E263 VanDerWaalsContact CD1-OE2 3.3Å; F218-E263 WeakPolarHBondContact CD1-OE2 3.3Å; F218-E263 WeakPolarHBondContact CE1-OE2 3.44Å; L240-E263 HydrophobicContact CD1-CB 4.1Å; L240-E263 HydrophobicContact CD1-CG 4.26Å; L240-E263 HydrophobicContact CD2-CB 4.43Å; L240-E263 HydrophobicContact CD2-CG 4.33Å; P259-E263 PolarHBondContact O-N 3Å; L260-E263 PolarHBondContact O-N 3.25Å; E263-M265 PolarHBondContact O-N 3.02Å; E263-V266 PolarHBondContact O-N 3.19Å; E263-R267 HydrophobicContact CG-CG 4.43Å; E263-R267 WeakPolarHBondContact O-CB 3.39Å; E263-R267 WeakPolarHBondContact O-CG 3.45Å; E263-R267 PolarHBondContact O-N 2.84Å; E263-R267 IonicContact OE1-CZ 3.84Å; E263-R267 IonicContact OE1-NE 3Å; E263-R267 PolarHBondContact OE1-NE 3.45Å; E263-R267 IonicContact OE1-NH1 3.4Å; E263-R267 PolarHBondContact OE1-NH1 2.84Å; E263-R267 IonicContact OE1-NH2 2.67Å; E263-R267 PolarHBondContact OE1-NH2 2.96Å; E263-R267 VanDerWaalsContact OE1-NH2 3.17Å
264	E	85.3	Confident	78.8	Confident	50 Å²	50	35.9 Å²	35.9	23%	0.234	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-40.2	177.1	-72	176.4	-179.2	0	0	113.5	L260 R261 Y262 N268 Y269	L260-E264 WeakPolarHBondContact O-CG 3.22Å; L260-E264 PolarHBondContact O-N 3.09Å; R261-E264 WeakPolarHBondContact CD-OE2 3.35Å; R261-E264 IonicContact CZ-OE2 2.79Å; R261-E264 IonicContact NE-OE2 2.62Å; R261-E264 IonicContact NH1-OE1 3.46Å; R261-E264 PolarHBondContact NH1-OE1 3.33Å; R261-E264 VanDerWaalsContact NH1-OE1 3.11Å; R261-E264 IonicContact NH1-OE2 3.59Å; R261-E264 PolarHBondContact NH1-OE2 2.96Å; R261-E264 PolarHBondContact O-N 3.36Å; Y262-E264 VanDerWaalsContact C-N 3.32Å; Y262-E264 PolarHBondContact O-N 3.22Å; E264-N268 PolarHBondContact O-N 3.4Å; E264-Y269 HydrophobicContact CB-CD2 4.37Å; E264-Y269 HydrophobicContact CG-CD2 4.14Å; E264-Y269 PolarHBondContact O-N 2.96Å
265	M	87.2	Confident	76.8	Confident	18 Å²	18	39.9 Å²	39.9	9%	0.089	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-49.6	174.6	-179	-164.7	68.4	0	0	110.7	W91 Q95 R261 Y262 E263 R267 N268 L346 Y348	W91-M265 HydrophobicContact CH2-CE 3.64Å; W91-M265 HydrophobicContact CH2-SD 4.5Å; W91-M265 HydrophobicContact CZ2-CE 4.31Å; W91-M265 HydrophobicContact CZ3-CE 3.98Å; W91-M265 HydrophobicContact CZ3-SD 4.45Å; Q95-M265 PolarHBondContact NE2-O 2.92Å; R261-M265 WeakPolarHBondContact O-CB 3.24Å; R261-M265 PolarHBondContact O-N 3.4Å; Y262-M265 HydrophobicContact CD2-CE 3.83Å; Y262-M265 HydrophobicContact CE2-CE 3.82Å; Y262-M265 PolarHBondContact O-N 3.38Å; E263-M265 PolarHBondContact O-N 3.02Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 3.07Å; M265-N268 PolarHBondContact O-N 3.46Å; M265-N268 VanDerWaalsContact O-N 3.11Å; M265-N268 PolarHBondContact O-OD1 3.47Å; M265-L346 HydrophobicContact CE-CD2 4.01Å; M265-L346 HydrophobicContact CE-CG 4.35Å; M265-L346 HydrophobicContact SD-CD2 4.38Å; M265-L346 HydrophobicContact SD-CG 4.47Å; M265-Y348 HydrophobicContact CE-CD2 4.46Å; M265-Y348 HydrophobicContact SD-CD2 3.69Å; M265-Y348 HydrophobicContact SD-CG 4.17Å
266	V	88.9	Confident	75.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-41.6	-179.2	176.8	0	0	0	0	111.2	W91 A114 L117 Y262 E263 N268	W91-V266 HydrophobicContact CH2-CG2 4.35Å; W91-V266 HydrophobicContact CZ2-CG2 3.99Å; A114-V266 HydrophobicContact CB-CG1 4.1Å; L117-V266 HydrophobicContact CB-CG1 3.84Å; L117-V266 HydrophobicContact CD1-CG1 4.32Å; Y262-V266 HydrophobicContact CD1-CG2 4.43Å; Y262-V266 HydrophobicContact CD2-CG2 4.48Å; Y262-V266 HydrophobicContact CE1-CG2 4.05Å; Y262-V266 HydrophobicContact CE2-CG2 4.13Å; Y262-V266 WeakPolarHBondContact O-CG2 3.35Å; Y262-V266 PolarHBondContact O-N 2.94Å; E263-V266 PolarHBondContact O-N 3.19Å; V266-N268 PolarHBondContact O-N 2.91Å; V266-N268 PolarHBondContact O-ND2 3.01Å
267	R	83.1	Confident	73.9	Confident	8 Å²	8	44.4 Å²	44.4	3%	0.03	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4	177.7	-70.6	-173.3	168	-179.4	7.2	114	A114 E225 Y236 E263 M265 Y269	A114-R267 HydrophobicContact CB-CG 3.99Å; E225-R267 IonicContact OE1-NH1 3.66Å; Y236-R267 VanDerWaalsContact CZ-NH2 3.33Å; Y236-R267 PolarHBondContact OH-NE 3.1Å; Y236-R267 VanDerWaalsContact OH-NE 3.13Å; Y236-R267 PolarHBondContact OH-NH2 3.25Å; E263-R267 HydrophobicContact CG-CG 4.43Å; E263-R267 WeakPolarHBondContact O-CB 3.39Å; E263-R267 WeakPolarHBondContact O-CG 3.45Å; E263-R267 PolarHBondContact O-N 2.84Å; E263-R267 IonicContact OE1-CZ 3.84Å; E263-R267 IonicContact OE1-NE 3Å; E263-R267 PolarHBondContact OE1-NE 3.45Å; E263-R267 IonicContact OE1-NH1 3.4Å; E263-R267 PolarHBondContact OE1-NH1 2.84Å; E263-R267 IonicContact OE1-NH2 2.67Å; E263-R267 PolarHBondContact OE1-NH2 2.96Å; E263-R267 VanDerWaalsContact OE1-NH2 3.17Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 3.07Å; R267-Y269 VanDerWaalsContact C-N 3.27Å; R267-Y269 HydrophobicContact CB-CD2 3.79Å; R267-Y269 HydrophobicContact CB-CE2 3.6Å; R267-Y269 HydrophobicContact CB-CG 4.35Å; R267-Y269 WeakPolarHBondContact CD-OH 3.29Å; R267-Y269 HydrophobicContact CG-CE2 4.13Å; R267-Y269 PolarHBondContact NH1-OH 2.97Å; R267-Y269 PolarHBondContact O-N 3.07Å
268	N	76.4	Confident	73	Confident	17 Å²	17	51.2 Å²	51.2	9%	0.091	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	30.9	-177.7	-58.4	-68.2	0	0	0	114	Q95 N99 E264 M265 V266 A270 V271	Q95-N268 PolarHBondContact NE2-OD1 3.3Å; N99-N268 VanDerWaalsContact ND2-CG 3.3Å; N99-N268 PolarHBondContact ND2-ND2 3.27Å; N99-N268 PolarHBondContact ND2-OD1 3.44Å; N99-N268 PolarHBondContact OD1-ND2 3.25Å; E264-N268 PolarHBondContact O-N 3.4Å; M265-N268 PolarHBondContact O-N 3.46Å; M265-N268 VanDerWaalsContact O-N 3.11Å; M265-N268 PolarHBondContact O-OD1 3.47Å; V266-N268 PolarHBondContact O-N 2.91Å; V266-N268 PolarHBondContact O-ND2 3.01Å; N268-A270 VanDerWaalsContact C-N 3.26Å; N268-A270 PolarHBondContact O-N 3.45Å; N268-V271 HydrophobicContact CB-CB 4.29Å; N268-V271 HydrophobicContact CB-CG2 3.71Å; N268-V271 WeakPolarHBondContact O-CB 3.42Å; N268-V271 PolarHBondContact O-N 3.32Å
269	Y	63.4	Low	72.6	Confident	64 Å²	64	56.7 Å²	56.7	25%	0.251	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-66	-31.2	176.7	-68.1	-55.1	0	0	0	112.1	E225 E264 R267 V271	E225-Y269 PolarHBondContact OE1-OH 3.41Å; E264-Y269 HydrophobicContact CB-CD2 4.37Å; E264-Y269 HydrophobicContact CG-CD2 4.14Å; E264-Y269 PolarHBondContact O-N 2.96Å; R267-Y269 VanDerWaalsContact C-N 3.27Å; R267-Y269 HydrophobicContact CB-CD2 3.79Å; R267-Y269 HydrophobicContact CB-CE2 3.6Å; R267-Y269 HydrophobicContact CB-CG 4.35Å; R267-Y269 WeakPolarHBondContact CD-OH 3.29Å; R267-Y269 HydrophobicContact CG-CE2 4.13Å; R267-Y269 PolarHBondContact NH1-OH 2.97Å; R267-Y269 PolarHBondContact O-N 3.07Å; Y269-V271 PolarHBondContact O-N 3.23Å
270	A	53.5	Low	72	Confident	28 Å²	28	59.5 Å²	59.5	23%	0.231	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-68.5	-13.7	177.7	0	0	0	0	0	113.8	N268 N272 Y372	N268-A270 VanDerWaalsContact C-N 3.26Å; N268-A270 PolarHBondContact O-N 3.45Å; A270-N272 VanDerWaalsContact C-N 3.27Å; A270-N272 PolarHBondContact O-N 3.24Å; A270-Y372 HydrophobicContact CB-CD1 4.45Å; A270-Y372 HydrophobicContact CB-CE1 3.73Å
271	V	52.6	Low	71.8	Confident	43 Å²	43	59.3 Å²	59.3	26%	0.261	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-77.2	-11.9	-172.3	180	0	0	0	0	112.6	N268 Y269 D273 R274	N268-V271 HydrophobicContact CB-CB 4.29Å; N268-V271 HydrophobicContact CB-CG2 3.71Å; N268-V271 WeakPolarHBondContact O-CB 3.42Å; N268-V271 PolarHBondContact O-N 3.32Å; Y269-V271 PolarHBondContact O-N 3.23Å; V271-D273 PolarHBondContact O-N 3.39Å; V271-D273 VanDerWaalsContact O-N 3.15Å; V271-R274 WeakPolarHBondContact CG1-O 3.42Å; V271-R274 CarbonylContact O-C 3.54Å; V271-R274 PolarHBondContact O-N 3.38Å
272	N	47.8	Very low	71.7	Confident	128 Å²	128	60 Å²	60	68%	0.684	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-59.9	-26.9	177.9	-74.1	-18.5	0	0	0	113	A270	A270-N272 VanDerWaalsContact C-N 3.27Å; A270-N272 PolarHBondContact O-N 3.24Å
273	D	48.6	Very low	71.6	Confident	119 Å²	119	63.6 Å²	63.6	64%	0.636	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-14	177.3	-67.7	-40.2	0	0	0	114.2	V271	V271-D273 PolarHBondContact O-N 3.39Å; V271-D273 VanDerWaalsContact O-N 3.15Å
274	R	53.1	Low	71.5	Confident	123 Å²	123	64.1 Å²	64.1	46%	0.464	32%	0.324	S	S	.	.	S	Bend	trans	-137.9	86.5	172.3	-67.9	-166.7	-169.8	177.1	11	109.5	V271 F276 Y372	V271-R274 WeakPolarHBondContact CG1-O 3.42Å; V271-R274 CarbonylContact O-C 3.54Å; V271-R274 PolarHBondContact O-N 3.38Å; R274-F276 PolarHBondContact O-N 2.66Å; R274-Y372 PolarHBondContact NH2-O 3.29Å
275	P	50	Low	71.8	Confident	91 Å²	91	64.6 Å²	64.6	59%	0.591	33%	0.328	S	S	*	.			trans	-51.6	137.7	167.5	22.4	-32.2	0	0	0	108.3	S277	P275-S277 PolarHBondContact O-N 3.4Å
276	F	58.2	Low	72.1	Confident	63 Å²	63	71 Å²	71	28%	0.276	36%	0.355	S	S	.	.			trans	-53.8	87.2	178.3	-125.4	-83.8	0	0	0	109.3	R92 F96 R274	R92-F276 HydrophobicContact CG-CE1 4.48Å; R92-F276 HydrophobicContact CG-CZ 4.21Å; F96-F276 HydrophobicContact CB-CE1 4.42Å; F96-F276 HydrophobicContact CD2-CB 4.45Å; F96-F276 AromaticContact CD2-CD1 3.72Å; F96-F276 HydrophobicContact CD2-CD1 3.72Å; F96-F276 HydrophobicContact CD2-CE1 4.24Å; F96-F276 HydrophobicContact CD2-CG 4.28Å; F96-F276 HydrophobicContact CE2-CD1 4.43Å; R274-F276 PolarHBondContact O-N 2.66Å
277	S	69.9	Low	72.3	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	37%	0.371	S	S	.	.			trans	-89.8	132.2	-179.4	176.4	0	0	0	0	107.3	P275 K279 N280 T281	P275-S277 PolarHBondContact O-N 3.4Å; S277-K279 PolarHBondContact O-N 3.29Å; S277-K279 VanDerWaalsContact O-N 3.07Å; S277-K279 PolarHBondContact OG-N 3.06Å; S277-N280 PolarHBondContact O-N 3.13Å; S277-T281 PolarHBondContact O-N 3.43Å; S277-T281 VanDerWaalsContact O-N 3.08Å; S277-T281 PolarHBondContact O-OG1 2.9Å
278	F	75.9	Confident	72.9	Confident	151 Å²	151	74.6 Å²	74.6	66%	0.662	37%	0.373	S	S	*	.	H	α-helix	trans	-49.4	-36.3	173.1	-175.7	-99	0	0	0	111.3	T281 M282	F278-T281 PolarHBondContact O-N 3.38Å; F278-M282 HydrophobicContact CD1-CG 3.98Å; F278-M282 HydrophobicContact CD2-CE 4.34Å; F278-M282 HydrophobicContact CE1-CE 4.48Å; F278-M282 HydrophobicContact CE1-CG 3.6Å; F278-M282 HydrophobicContact CE1-SD 4.14Å; F278-M282 HydrophobicContact CE2-CE 3.77Å; F278-M282 HydrophobicContact CE2-SD 4.38Å; F278-M282 HydrophobicContact CZ-CE 3.84Å; F278-M282 HydrophobicContact CZ-CG 3.89Å; F278-M282 HydrophobicContact CZ-SD 3.83Å; F278-M282 WeakPolarHBondContact O-CG 3.28Å; F278-M282 PolarHBondContact O-N 2.87Å
279	K	83.6	Confident	73.8	Confident	146 Å²	146	76.7 Å²	76.7	64%	0.635	39%	0.393	S	S	*	.	H	α-helix	trans	-57.2	-51.5	174	-173.8	-177.7	178.4	-177.9	0	112.4	S277 T281 M282 I283	S277-K279 PolarHBondContact O-N 3.29Å; S277-K279 VanDerWaalsContact O-N 3.07Å; S277-K279 PolarHBondContact OG-N 3.06Å; K279-T281 VanDerWaalsContact C-N 3.3Å; K279-T281 PolarHBondContact O-N 3.47Å; K279-M282 PolarHBondContact O-N 3.36Å; K279-I283 HydrophobicContact CG-CD1 3.97Å; K279-I283 VanDerWaalsContact O-CG1 3.31Å; K279-I283 WeakPolarHBondContact O-CG1 3.39Å; K279-I283 PolarHBondContact O-N 3.29Å
280	N	79.3	Confident	75.4	Confident	60 Å²	60	80.7 Å²	80.7	32%	0.321	41%	0.411	S	S	.	.	H	α-helix	trans	-65.8	-35.5	-178.9	-67.7	-9.4	0	0	0	111.4	S277 S284	S277-N280 PolarHBondContact O-N 3.13Å; N280-S284 VanDerWaalsContact O-CB 3.27Å; N280-S284 WeakPolarHBondContact O-CB 3.29Å; N280-S284 PolarHBondContact O-N 3.06Å
281	T	82.2	Confident	77.4	Confident	25 Å²	25	80.8 Å²	80.8	15%	0.153	41%	0.408	C	S	.	.	H	α-helix	trans	-64.1	-46.2	173.4	-56.3	0	0	0	0	111.3	S277 F278 K279 I283 S284 L285	S277-T281 PolarHBondContact O-N 3.43Å; S277-T281 VanDerWaalsContact O-N 3.08Å; S277-T281 PolarHBondContact O-OG1 2.9Å; F278-T281 PolarHBondContact O-N 3.38Å; K279-T281 VanDerWaalsContact C-N 3.3Å; K279-T281 PolarHBondContact O-N 3.47Å; T281-I283 PolarHBondContact O-N 2.87Å; T281-S284 PolarHBondContact O-N 2.98Å; T281-L285 HydrophobicContact CG2-CD1 4.48Å; T281-L285 WeakPolarHBondContact O-CG 3.14Å; T281-L285 PolarHBondContact O-N 3.21Å
282	M	87.3	Confident	79.5	Confident	76 Å²	76	80.3 Å²	80.3	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-42	177.7	-68.7	-56.1	103.1	0	0	112.4	F278 K279 S284 L285 F286	F278-M282 HydrophobicContact CD1-CG 3.98Å; F278-M282 HydrophobicContact CD2-CE 4.34Å; F278-M282 HydrophobicContact CE1-CE 4.48Å; F278-M282 HydrophobicContact CE1-CG 3.6Å; F278-M282 HydrophobicContact CE1-SD 4.14Å; F278-M282 HydrophobicContact CE2-CE 3.77Å; F278-M282 HydrophobicContact CE2-SD 4.38Å; F278-M282 HydrophobicContact CZ-CE 3.84Å; F278-M282 HydrophobicContact CZ-CG 3.89Å; F278-M282 HydrophobicContact CZ-SD 3.83Å; F278-M282 WeakPolarHBondContact O-CG 3.28Å; F278-M282 PolarHBondContact O-N 2.87Å; K279-M282 PolarHBondContact O-N 3.36Å; M282-S284 VanDerWaalsContact C-N 3.31Å; M282-S284 PolarHBondContact O-N 3.28Å; M282-L285 HydrophobicContact CE-CD1 3.52Å; M282-L285 PolarHBondContact O-N 3.22Å; M282-L285 HydrophobicContact SD-CD1 4.25Å; M282-F286 PolarHBondContact O-N 3.41Å
283	I	88.6	Confident	81.7	Confident	75 Å²	75	75.9 Å²	75.9	39%	0.385	39%	0.387	S	S	.	.	H	α-helix	trans	-58	-47	174.3	-69	166.3	0	0	0	110.2	K279 T281 L285 F286 Q287	K279-I283 HydrophobicContact CG-CD1 3.97Å; K279-I283 VanDerWaalsContact O-CG1 3.31Å; K279-I283 WeakPolarHBondContact O-CG1 3.39Å; K279-I283 PolarHBondContact O-N 3.29Å; T281-I283 PolarHBondContact O-N 2.87Å; I283-L285 PolarHBondContact O-N 3.3Å; I283-F286 PolarHBondContact O-N 2.62Å; I283-Q287 HydrophobicContact CG2-CG 4.48Å; I283-Q287 WeakPolarHBondContact O-CG 3.45Å; I283-Q287 PolarHBondContact O-N 3.49Å
284	S	87.4	Confident	84	Confident	12 Å²	12	72.9 Å²	72.9	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-65.7	-36.6	179.8	178.2	0	0	0	0	112.6	R92 N280 T281 M282 Q287 T288 T344	R92-S284 PolarHBondContact NH1-OG 3.49Å; R92-S284 VanDerWaalsContact NH2-CB 3.27Å; R92-S284 PolarHBondContact NH2-OG 2.93Å; N280-S284 VanDerWaalsContact O-CB 3.27Å; N280-S284 WeakPolarHBondContact O-CB 3.29Å; N280-S284 PolarHBondContact O-N 3.06Å; T281-S284 PolarHBondContact O-N 2.98Å; M282-S284 VanDerWaalsContact C-N 3.31Å; M282-S284 PolarHBondContact O-N 3.28Å; S284-Q287 PolarHBondContact O-N 3.36Å; S284-T288 WeakPolarHBondContact O-CB 3.32Å; S284-T288 PolarHBondContact O-N 3.16Å; S284-T288 PolarHBondContact O-OG1 3.44Å; S284-T288 VanDerWaalsContact O-OG1 3.13Å; S284-T344 WeakPolarHBondContact OG-CG2 3.45Å; S284-T344 PolarHBondContact OG-O 2.96Å; S284-T344 VanDerWaalsContact OG-O 3.08Å
285	L	90.8	Very high	86.1	Confident	61 Å²	61	67 Å²	67	32%	0.319	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-41.5	173.2	-70.1	178.3	0	0	0	112.2	L89 T281 M282 I283 T288 A289	L89-L285 HydrophobicContact CD2-CD2 3.38Å; T281-L285 HydrophobicContact CG2-CD1 4.48Å; T281-L285 WeakPolarHBondContact O-CG 3.14Å; T281-L285 PolarHBondContact O-N 3.21Å; M282-L285 HydrophobicContact CE-CD1 3.52Å; M282-L285 PolarHBondContact O-N 3.22Å; M282-L285 HydrophobicContact SD-CD1 4.25Å; I283-L285 PolarHBondContact O-N 3.3Å; L285-T288 WeakPolarHBondContact O-CB 3.49Å; L285-T288 PolarHBondContact O-N 3.37Å; L285-A289 PolarHBondContact O-N 2.94Å
286	F	94.1	Very high	88.2	Confident	152 Å²	152	64.1 Å²	64.1	67%	0.667	33%	0.327	S	S	*	.	H	α-helix	trans	-63.1	-42.8	174.8	-178.4	-98.4	0	0	0	111.3	M282 I283 A289 K290	M282-F286 PolarHBondContact O-N 3.41Å; I283-F286 PolarHBondContact O-N 2.62Å; F286-A289 PolarHBondContact O-N 3.45Å; F286-K290 WeakPolarHBondContact O-CB 3.26Å; F286-K290 PolarHBondContact O-N 3.38Å
287	Q	93.4	Very high	90	Very high	73 Å²	73	66.7 Å²	66.7	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-45.4	173.6	-73.8	174.5	-20.4	0	0	112	I283 S284 A289 K290 L291 T344	I283-Q287 HydrophobicContact CG2-CG 4.48Å; I283-Q287 WeakPolarHBondContact O-CG 3.45Å; I283-Q287 PolarHBondContact O-N 3.49Å; S284-Q287 PolarHBondContact O-N 3.36Å; Q287-A289 VanDerWaalsContact C-N 3.33Å; Q287-A289 PolarHBondContact O-N 3.43Å; Q287-K290 PolarHBondContact O-N 3.13Å; Q287-L291 WeakPolarHBondContact O-CB 3.47Å; Q287-L291 WeakPolarHBondContact O-CG 3.5Å; Q287-L291 PolarHBondContact O-N 3.45Å; Q287-T344 HydrophobicContact CB-CG2 4.08Å
288	T	94.6	Very high	91.2	Very high	11 Å²	11	66.5 Å²	66.5	7%	0.067	34%	0.335	C	S	.	.	H	α-helix	trans	-55.3	-47.6	173.5	-71.2	0	0	0	0	111.2	L85 S284 L285 L291 F292 S341 T344 A345	L85-T288 HydrophobicContact CD2-CG2 4.09Å; S284-T288 WeakPolarHBondContact O-CB 3.32Å; S284-T288 PolarHBondContact O-N 3.16Å; S284-T288 PolarHBondContact O-OG1 3.44Å; S284-T288 VanDerWaalsContact O-OG1 3.13Å; L285-T288 WeakPolarHBondContact O-CB 3.49Å; L285-T288 PolarHBondContact O-N 3.37Å; T288-L291 PolarHBondContact O-N 3.15Å; T288-F292 VanDerWaalsContact O-CB 3.25Å; T288-F292 WeakPolarHBondContact O-CB 3.43Å; T288-F292 PolarHBondContact O-N 3.01Å; T288-S341 WeakPolarHBondContact CG2-OG 3.25Å; T288-S341 PolarHBondContact O-OG 3.3Å; T288-S341 PolarHBondContact OG1-O 3.49Å; T288-T344 WeakPolarHBondContact OG1-CG2 3.38Å; T288-A345 HydrophobicContact CG2-CB 3.8Å; T288-A345 WeakPolarHBondContact OG1-CA 3.38Å; T288-A345 PolarHBondContact OG1-N 2.92Å; T288-A345 VanDerWaalsContact OG1-N 3.14Å
289	A	95.9	Very high	92.1	Very high	61 Å²	61	60 Å²	60	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-64.5	-42.9	179.2	0	0	0	0	0	112.4	L285 F286 Q287 F292 G293	L285-A289 PolarHBondContact O-N 2.94Å; F286-A289 PolarHBondContact O-N 3.45Å; Q287-A289 VanDerWaalsContact C-N 3.33Å; Q287-A289 PolarHBondContact O-N 3.43Å; A289-F292 PolarHBondContact O-N 3.42Å; A289-G293 PolarHBondContact O-N 2.94Å
290	K	96.4	Very high	92.5	Very high	147 Å²	147	54.4 Å²	54.4	64%	0.639	29%	0.285	S	S	*	.	H	α-helix	trans	-58.5	-52.2	175.1	179.5	-174.1	174.2	-177.2	0	111.2	F286 Q287 F292 G293 L294	F286-K290 WeakPolarHBondContact O-CB 3.26Å; F286-K290 PolarHBondContact O-N 3.38Å; Q287-K290 PolarHBondContact O-N 3.13Å; K290-F292 VanDerWaalsContact C-N 3.34Å; K290-F292 PolarHBondContact O-N 3.16Å; K290-G293 PolarHBondContact O-N 3.04Å; K290-L294 WeakPolarHBondContact O-CB 3.38Å; K290-L294 PolarHBondContact O-N 3.08Å
291	L	96.3	Very high	93.2	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-40.9	179.5	-68.4	168.8	0	0	0	111.2	Q287 T288 L294 S295 I337 E340	Q287-L291 WeakPolarHBondContact O-CB 3.47Å; Q287-L291 WeakPolarHBondContact O-CG 3.5Å; Q287-L291 PolarHBondContact O-N 3.45Å; T288-L291 PolarHBondContact O-N 3.15Å; L291-L294 PolarHBondContact O-N 2.98Å; L291-S295 PolarHBondContact O-N 3.08Å; L291-I337 HydrophobicContact CB-CG2 4.2Å; L291-I337 HydrophobicContact CD2-CG2 4.05Å; L291-I337 VanDerWaalsContact O-CG2 3.25Å; L291-I337 WeakPolarHBondContact O-CG2 3.22Å; L291-E340 HydrophobicContact CD1-CB 4.09Å
292	F	95.4	Very high	93.7	Very high	33 Å²	33	53.3 Å²	53.3	15%	0.145	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-45.4	178.6	-170.1	-128.4	0	0	0	112.1	L81 I82 L85 T288 A289 K290 S295 F296	L81-F292 HydrophobicContact CB-CE2 3.85Å; L81-F292 HydrophobicContact CB-CZ 4.25Å; L81-F292 HydrophobicContact CD1-CE2 4.13Å; I82-F292 HydrophobicContact CG1-CE1 4.18Å; I82-F292 HydrophobicContact CG1-CZ 3.88Å; L85-F292 HydrophobicContact CD1-CB 4.36Å; L85-F292 HydrophobicContact CD1-CD1 3.85Å; L85-F292 HydrophobicContact CD1-CD2 3.38Å; L85-F292 HydrophobicContact CD1-CE1 3.84Å; L85-F292 HydrophobicContact CD1-CE2 3.38Å; L85-F292 HydrophobicContact CD1-CG 3.61Å; L85-F292 HydrophobicContact CD1-CZ 3.6Å; L85-F292 HydrophobicContact CG-CE2 4.48Å; T288-F292 VanDerWaalsContact O-CB 3.25Å; T288-F292 WeakPolarHBondContact O-CB 3.43Å; T288-F292 PolarHBondContact O-N 3.01Å; A289-F292 PolarHBondContact O-N 3.42Å; K290-F292 VanDerWaalsContact C-N 3.34Å; K290-F292 PolarHBondContact O-N 3.16Å; F292-S295 PolarHBondContact O-N 3.36Å; F292-S295 PolarHBondContact O-OG 2.86Å; F292-F296 HydrophobicContact CD1-CE2 4.08Å; F292-F296 HydrophobicContact CD2-CE2 4.17Å; F292-F296 HydrophobicContact CE1-CD2 4.41Å; F292-F296 AromaticContact CE1-CE2 3.52Å; F292-F296 HydrophobicContact CE1-CE2 3.52Å; F292-F296 HydrophobicContact CE1-CZ 4.32Å; F292-F296 HydrophobicContact CE2-CD2 4.47Å; F292-F296 AromaticContact CE2-CE2 3.61Å; F292-F296 HydrophobicContact CE2-CE2 3.61Å; F292-F296 AromaticContact CE2-CZ 3.95Å; F292-F296 HydrophobicContact CE2-CZ 3.95Å; F292-F296 HydrophobicContact CG-CE2 4.39Å; F292-F296 HydrophobicContact CZ-CD2 4.36Å; F292-F296 AromaticContact CZ-CE2 3.26Å; F292-F296 HydrophobicContact CZ-CE2 3.26Å; F292-F296 AromaticContact CZ-CZ 3.66Å; F292-F296 HydrophobicContact CZ-CZ 3.66Å; F292-F296 WeakPolarHBondContact O-CD2 3.27Å; F292-F296 PolarHBondContact O-N 3.25Å
293	G	95.6	Very high	93.8	Very high	36 Å²	36	51.9 Å²	51.9	37%	0.371	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-45	174.4	0	0	0	0	0	112.3	A289 K290 S295 F296 L297	A289-G293 PolarHBondContact O-N 2.94Å; K290-G293 PolarHBondContact O-N 3.04Å; G293-S295 VanDerWaalsContact C-N 3.31Å; G293-S295 PolarHBondContact O-N 2.9Å; G293-F296 PolarHBondContact O-N 3.43Å; G293-L297 PolarHBondContact O-N 3.05Å
294	L	96.5	Very high	93.9	Very high	56 Å²	56	48.4 Å²	48.4	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-37.8	176.8	-177.6	61.9	0	0	0	112.4	K290 L291 F296 L297 Y298 I337	K290-L294 WeakPolarHBondContact O-CB 3.38Å; K290-L294 PolarHBondContact O-N 3.08Å; L291-L294 PolarHBondContact O-N 2.98Å; L294-F296 VanDerWaalsContact C-N 3.31Å; L294-F296 PolarHBondContact O-N 3.36Å; L294-L297 HydrophobicContact CD1-CD1 4.31Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 3.07Å; L294-L297 VanDerWaalsContact O-N 3.15Å; L294-Y298 HydrophobicContact CD1-CD2 4.36Å; L294-Y298 HydrophobicContact CD1-CE2 3.9Å; L294-Y298 HydrophobicContact CD2-CE2 3.95Å; L294-Y298 HydrophobicContact CG-CD2 4.02Å; L294-Y298 HydrophobicContact CG-CE2 3.63Å; L294-Y298 WeakPolarHBondContact O-CD2 3.4Å; L294-Y298 PolarHBondContact O-N 3.24Å; L294-I337 HydrophobicContact CB-CG2 4.26Å; L294-I337 HydrophobicContact CD2-CG2 4.25Å; L294-I337 HydrophobicContact CG-CG2 4.29Å
295	S	95.9	Very high	94	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59	-42.6	177.3	77.9	0	0	0	0	111.6	L291 F292 G293 L297 Y298 L299 F334	L291-S295 PolarHBondContact O-N 3.08Å; F292-S295 PolarHBondContact O-N 3.36Å; F292-S295 PolarHBondContact O-OG 2.86Å; G293-S295 VanDerWaalsContact C-N 3.31Å; G293-S295 PolarHBondContact O-N 2.9Å; S295-L297 VanDerWaalsContact C-N 3.34Å; S295-L297 PolarHBondContact O-N 3.15Å; S295-Y298 PolarHBondContact O-N 2.91Å; S295-L299 PolarHBondContact O-N 3.07Å; S295-F334 WeakPolarHBondContact O-CD2 3.35Å
296	F	94.7	Very high	93.8	Very high	29 Å²	29	48.8 Å²	48.8	13%	0.127	25%	0.25	C	S	.	.	H	α-helix	trans	-68.6	-32.3	177.1	-76.1	-59	0	0	0	113.1	L74 A77 Y78 L81 F292 G293 L294 Y298 L299 T300	L74-F296 HydrophobicContact CD2-CB 3.71Å; L74-F296 HydrophobicContact CD2-CD1 3.26Å; L74-F296 HydrophobicContact CD2-CE1 4.08Å; L74-F296 HydrophobicContact CD2-CG 3.75Å; A77-F296 HydrophobicContact CB-CE1 4.11Å; Y78-F296 HydrophobicContact CD2-CZ 4.22Å; L81-F296 HydrophobicContact CD1-CE1 4.27Å; L81-F296 HydrophobicContact CD1-CZ 4.22Å; F292-F296 HydrophobicContact CD1-CE2 4.08Å; F292-F296 HydrophobicContact CD2-CE2 4.17Å; F292-F296 HydrophobicContact CE1-CD2 4.41Å; F292-F296 AromaticContact CE1-CE2 3.52Å; F292-F296 HydrophobicContact CE1-CE2 3.52Å; F292-F296 HydrophobicContact CE1-CZ 4.32Å; F292-F296 HydrophobicContact CE2-CD2 4.47Å; F292-F296 AromaticContact CE2-CE2 3.61Å; F292-F296 HydrophobicContact CE2-CE2 3.61Å; F292-F296 AromaticContact CE2-CZ 3.95Å; F292-F296 HydrophobicContact CE2-CZ 3.95Å; F292-F296 HydrophobicContact CG-CE2 4.39Å; F292-F296 HydrophobicContact CZ-CD2 4.36Å; F292-F296 AromaticContact CZ-CE2 3.26Å; F292-F296 HydrophobicContact CZ-CE2 3.26Å; F292-F296 AromaticContact CZ-CZ 3.66Å; F292-F296 HydrophobicContact CZ-CZ 3.66Å; F292-F296 WeakPolarHBondContact O-CD2 3.27Å; F292-F296 PolarHBondContact O-N 3.25Å; G293-F296 PolarHBondContact O-N 3.43Å; L294-F296 VanDerWaalsContact C-N 3.31Å; L294-F296 PolarHBondContact O-N 3.36Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; F296-L299 HydrophobicContact CD1-CD2 4.21Å; F296-L299 PolarHBondContact O-N 3.4Å; F296-T300 PolarHBondContact O-N 2.92Å; F296-T300 PolarHBondContact O-OG1 2.91Å
297	L	95.1	Very high	93.3	Very high	117 Å²	117	45.6 Å²	45.6	61%	0.613	24%	0.24	S	C	*	.	H	α-helix	trans	-61.8	-43.5	171.8	-64.8	176.1	0	0	0	111	G293 L294 S295 L299 T300 Y301	G293-L297 PolarHBondContact O-N 3.05Å; L294-L297 HydrophobicContact CD1-CD1 4.31Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 3.07Å; L294-L297 VanDerWaalsContact O-N 3.15Å; S295-L297 VanDerWaalsContact C-N 3.34Å; S295-L297 PolarHBondContact O-N 3.15Å; L297-L299 PolarHBondContact O-N 2.84Å; L297-T300 PolarHBondContact O-N 2.83Å; L297-Y301 WeakPolarHBondContact O-CB 3.46Å; L297-Y301 PolarHBondContact O-N 3.44Å
298	Y	95.8	Very high	92.8	Very high	46 Å²	46	42.7 Å²	42.7	18%	0.18	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-38.7	174.8	-74.9	-51.8	0	0	0	112.7	L294 S295 F296 Y301 S302 F330 Y333 I337 P380	L294-Y298 HydrophobicContact CD1-CD2 4.36Å; L294-Y298 HydrophobicContact CD1-CE2 3.9Å; L294-Y298 HydrophobicContact CD2-CE2 3.95Å; L294-Y298 HydrophobicContact CG-CD2 4.02Å; L294-Y298 HydrophobicContact CG-CE2 3.63Å; L294-Y298 WeakPolarHBondContact O-CD2 3.4Å; L294-Y298 PolarHBondContact O-N 3.24Å; S295-Y298 PolarHBondContact O-N 2.91Å; F296-Y298 VanDerWaalsContact C-N 3.33Å; Y298-Y301 PolarHBondContact O-N 3.41Å; Y298-S302 WeakPolarHBondContact O-CB 3.38Å; Y298-S302 PolarHBondContact O-N 3.36Å; Y298-F330 AromaticContact CD1-CD1 3.5Å; Y298-F330 HydrophobicContact CD1-CD1 3.5Å; Y298-F330 VanDerWaalsContact CD1-CD1 3.5Å; Y298-F330 AromaticContact CD1-CE1 3.72Å; Y298-F330 HydrophobicContact CD1-CE1 3.72Å; Y298-F330 HydrophobicContact CD1-CG 4.42Å; Y298-F330 HydrophobicContact CE1-CD1 4.08Å; Y298-F330 AromaticContact CE1-CE1 3.85Å; Y298-F330 HydrophobicContact CE1-CE1 3.85Å; Y298-Y333 HydrophobicContact CD1-CD2 4.19Å; Y298-Y333 HydrophobicContact CE1-CD2 4.11Å; Y298-I337 HydrophobicContact CD2-CB 4.49Å; Y298-I337 HydrophobicContact CD2-CG1 4.01Å; Y298-I337 HydrophobicContact CE2-CG1 3.86Å; Y298-P380 HydrophobicContact CE2-CG 4.48Å
299	L	94.5	Very high	92.3	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-49.4	175.4	179.8	60.6	0	0	0	111.5	V73 L74 A77 S295 F296 L297 Y301 S302 T303 F334	V73-L299 HydrophobicContact CG1-CD1 3.98Å; V73-L299 HydrophobicContact CG1-CD2 3.76Å; V73-L299 HydrophobicContact CG1-CG 3.66Å; L74-L299 HydrophobicContact CD2-CD2 4.45Å; A77-L299 HydrophobicContact CB-CD2 3.68Å; S295-L299 PolarHBondContact O-N 3.07Å; F296-L299 HydrophobicContact CD1-CD2 4.21Å; F296-L299 PolarHBondContact O-N 3.4Å; L297-L299 PolarHBondContact O-N 2.84Å; L299-Y301 VanDerWaalsContact C-N 3.32Å; L299-Y301 PolarHBondContact O-N 3.05Å; L299-S302 PolarHBondContact O-N 2.86Å; L299-T303 PolarHBondContact O-N 2.88Å; L299-T303 PolarHBondContact O-OG1 3.5Å; L299-F334 HydrophobicContact CB-CB 4.2Å; L299-F334 HydrophobicContact CB-CD1 4.32Å; L299-F334 HydrophobicContact CB-CD2 3.78Å; L299-F334 HydrophobicContact CB-CE2 4.17Å; L299-F334 HydrophobicContact CB-CG 3.83Å; L299-F334 HydrophobicContact CD1-CD1 3.9Å; L299-F334 HydrophobicContact CD1-CE1 4.01Å; L299-F334 HydrophobicContact CD1-CG 4.28Å; L299-F334 HydrophobicContact CD1-CZ 4.47Å; L299-F334 HydrophobicContact CD2-CD2 4.47Å; L299-F334 HydrophobicContact CD2-CE1 4.27Å; L299-F334 HydrophobicContact CD2-CE2 4.03Å; L299-F334 HydrophobicContact CD2-CZ 3.9Å; L299-F334 HydrophobicContact CG-CG 4.5Å
300	T	92.8	Very high	91.4	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-42.5	177.4	-69.4	0	0	0	0	111.5	I66 S70 F296 L297 C304 F305	I66-T300 HydrophobicContact CG2-CG2 4.45Å; S70-T300 VanDerWaalsContact OG-CG2 3.23Å; S70-T300 WeakPolarHBondContact OG-CG2 3.44Å; F296-T300 PolarHBondContact O-N 2.92Å; F296-T300 PolarHBondContact O-OG1 2.91Å; L297-T300 PolarHBondContact O-N 2.83Å; T300-C304 WeakPolarHBondContact O-CB 3.24Å; T300-C304 PolarHBondContact O-N 3.43Å; T300-F305 PolarHBondContact O-N 2.87Å
301	Y	93.2	Very high	90.5	Very high	60 Å²	60	37.6 Å²	37.6	24%	0.235	21%	0.205	C	C	.	.	I	π-helix	trans	-61.7	-48.3	176.2	-173.3	-77.1	0	0	0	111.3	L297 Y298 L299 T303 F305 T306 Q326 F330	L297-Y301 WeakPolarHBondContact O-CB 3.46Å; L297-Y301 PolarHBondContact O-N 3.44Å; Y298-Y301 PolarHBondContact O-N 3.41Å; L299-Y301 VanDerWaalsContact C-N 3.32Å; L299-Y301 PolarHBondContact O-N 3.05Å; Y301-T303 PolarHBondContact O-N 3.48Å; Y301-F305 HydrophobicContact CD2-CB 4.2Å; Y301-F305 AromaticContact CD2-CD1 3.59Å; Y301-F305 HydrophobicContact CD2-CD1 3.59Å; Y301-F305 HydrophobicContact CD2-CE1 4.18Å; Y301-F305 HydrophobicContact CD2-CG 4.07Å; Y301-F305 HydrophobicContact CE1-CD1 4.26Å; Y301-F305 AromaticContact CE2-CD1 3.25Å; Y301-F305 HydrophobicContact CE2-CD1 3.25Å; Y301-F305 AromaticContact CE2-CE1 3.48Å; Y301-F305 HydrophobicContact CE2-CE1 3.48Å; Y301-F305 VanDerWaalsContact CE2-CE1 3.48Å; Y301-F305 HydrophobicContact CE2-CG 4.16Å; Y301-F305 HydrophobicContact CG-CB 4.28Å; Y301-F305 HydrophobicContact CG-CD1 4.24Å; Y301-F305 AromaticContact CZ-CD1 3.63Å; Y301-F305 AromaticContact CZ-CE1 3.91Å; Y301-F305 WeakPolarHBondContact O-CB 3.18Å; Y301-F305 PolarHBondContact O-N 3.46Å; Y301-T306 HydrophobicContact CD1-CG2 3.72Å; Y301-T306 HydrophobicContact CE1-CG2 3.41Å; Y301-T306 VanDerWaalsContact CE1-CG2 3.41Å; Y301-T306 PolarHBondContact O-N 3.39Å; Y301-T306 PolarHBondContact O-OG1 3.49Å; Y301-Q326 HydrophobicContact CE1-CG 4.16Å; Y301-Q326 PolarHBondContact OH-OE1 3.22Å; Y301-F330 HydrophobicContact CD1-CB 4.04Å; Y301-F330 AromaticContact CD1-CD1 3.03Å; Y301-F330 HydrophobicContact CD1-CD1 3.03Å; Y301-F330 HydrophobicContact CD1-CD2 4.02Å; Y301-F330 AromaticContact CD1-CE1 3.31Å; Y301-F330 HydrophobicContact CD1-CE1 3.31Å; Y301-F330 HydrophobicContact CD1-CE2 4.22Å; Y301-F330 AromaticContact CD1-CG 3.43Å; Y301-F330 HydrophobicContact CD1-CG 3.43Å; Y301-F330 VanDerWaalsContact CD1-CG 3.43Å; Y301-F330 AromaticContact CD1-CZ 3.9Å; Y301-F330 HydrophobicContact CD1-CZ 3.9Å; Y301-F330 HydrophobicContact CD2-CD1 4.38Å; Y301-F330 HydrophobicContact CD2-CE1 4.03Å; Y301-F330 AromaticContact CE1-CD1 3.64Å; Y301-F330 HydrophobicContact CE1-CD1 3.64Å; Y301-F330 AromaticContact CE1-CD2 3.92Å; Y301-F330 HydrophobicContact CE1-CD2 3.92Å; Y301-F330 AromaticContact CE1-CE1 3.53Å; Y301-F330 HydrophobicContact CE1-CE1 3.53Å; Y301-F330 AromaticContact CE1-CE2 3.8Å; Y301-F330 HydrophobicContact CE1-CE2 3.8Å; Y301-F330 AromaticContact CE1-CG 3.84Å; Y301-F330 HydrophobicContact CE1-CG 3.84Å; Y301-F330 AromaticContact CE1-CZ 3.61Å; Y301-F330 HydrophobicContact CE1-CZ 3.61Å; Y301-F330 HydrophobicContact CE2-CE1 4.22Å; Y301-F330 HydrophobicContact CE2-CZ 4.49Å; Y301-F330 AromaticContact CG-CD1 3.48Å; Y301-F330 HydrophobicContact CG-CD1 3.48Å; Y301-F330 VanDerWaalsContact CG-CD1 3.48Å; Y301-F330 AromaticContact CG-CE1 3.58Å; Y301-F330 HydrophobicContact CG-CE1 3.58Å; Y301-F330 HydrophobicContact CG-CG 4.3Å; Y301-F330 HydrophobicContact CG-CZ 4.46Å; Y301-F330 AromaticContact CZ-CE1 4Å; Y301-F330 AromaticContact CZ-CZ 3.95Å
302	S	93.2	Very high	89.7	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.223	C	C	.	.	I	π-helix	trans	-63	-38.4	-177.8	177	0	0	0	0	114.4	Y298 L299 T306 S327 S331	Y298-S302 WeakPolarHBondContact O-CB 3.38Å; Y298-S302 PolarHBondContact O-N 3.36Å; L299-S302 PolarHBondContact O-N 2.86Å; S302-T306 PolarHBondContact O-OG1 3.38Å; S302-S327 WeakPolarHBondContact O-CB 3.22Å; S302-S327 PolarHBondContact OG-O 3.36Å; S302-S331 WeakPolarHBondContact OG-CA 3.17Å; S302-S331 WeakPolarHBondContact OG-CB 3.43Å; S302-S331 PolarHBondContact OG-N 3.37Å; S302-S331 VanDerWaalsContact OG-N 3.09Å; S302-S331 PolarHBondContact OG-OG 3.25Å
303	T	90.5	Very high	89	Confident	46 Å²	46	41.8 Å²	41.8	28%	0.282	23%	0.227	S	C	.	.	I	π-helix	trans	-97.3	-39.1	-173.8	-53.4	0	0	0	0	112.4	V73 L299 Y301 D307	V73-T303 HydrophobicContact CG1-CG2 4.47Å; V73-T303 HydrophobicContact CG2-CG2 3.85Å; L299-T303 PolarHBondContact O-N 2.88Å; L299-T303 PolarHBondContact O-OG1 3.5Å; Y301-T303 PolarHBondContact O-N 3.48Å; T303-D307 WeakPolarHBondContact O-CB 3.37Å
304	C	90.7	Very high	87.9	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.014	24%	0.239	C	C	.	.	I	π-helix	trans	-101.5	-52.6	-172.6	-54.5	0	0	0	0	111.5	I66 C69 T300 D307 T308	I66-C304 HydrophobicContact CG2-CB 4.34Å; C69-C304 HydrophobicContact CB-CB 3.76Å; C69-C304 WeakPolarHBondContact CB-SG 3.45Å; C69-C304 WeakPolarHBondContact SG-CA 3.3Å; C69-C304 WeakPolarHBondContact SG-CB 3.16Å; C69-C304 CovalentContact SG-SG 2.05Å; C69-C304 PolarHBondContact SG-SG 3.39Å; T300-C304 WeakPolarHBondContact O-CB 3.24Å; T300-C304 PolarHBondContact O-N 3.43Å; C304-D307 PolarHBondContact O-N 3.14Å; C304-T308 PolarHBondContact O-N 3.47Å; C304-T308 VanDerWaalsContact O-N 3.15Å; C304-T308 PolarHBondContact O-OG1 3.23Å; C304-T308 VanDerWaalsContact O-OG1 3.1Å
305	F	89.2	Confident	87.1	Confident	78 Å²	78	51.8 Å²	51.8	34%	0.342	27%	0.265	S	S	.	.	I	π-helix	trans	-67.5	-47.1	-172.4	-171.2	-101.5	0	0	0	112.6	I66 T300 Y301 D307 T308 L309	I66-F305 HydrophobicContact CD1-CD2 3.96Å; T300-F305 PolarHBondContact O-N 2.87Å; Y301-F305 HydrophobicContact CD2-CB 4.2Å; Y301-F305 AromaticContact CD2-CD1 3.59Å; Y301-F305 HydrophobicContact CD2-CD1 3.59Å; Y301-F305 HydrophobicContact CD2-CE1 4.18Å; Y301-F305 HydrophobicContact CD2-CG 4.07Å; Y301-F305 HydrophobicContact CE1-CD1 4.26Å; Y301-F305 AromaticContact CE2-CD1 3.25Å; Y301-F305 HydrophobicContact CE2-CD1 3.25Å; Y301-F305 AromaticContact CE2-CE1 3.48Å; Y301-F305 HydrophobicContact CE2-CE1 3.48Å; Y301-F305 VanDerWaalsContact CE2-CE1 3.48Å; Y301-F305 HydrophobicContact CE2-CG 4.16Å; Y301-F305 HydrophobicContact CG-CB 4.28Å; Y301-F305 HydrophobicContact CG-CD1 4.24Å; Y301-F305 AromaticContact CZ-CD1 3.63Å; Y301-F305 AromaticContact CZ-CE1 3.91Å; Y301-F305 WeakPolarHBondContact O-CB 3.18Å; Y301-F305 PolarHBondContact O-N 3.46Å; F305-D307 VanDerWaalsContact C-N 3.3Å; F305-D307 PolarHBondContact O-N 3.34Å; F305-T308 PolarHBondContact O-N 2.86Å; F305-L309 HydrophobicContact CD1-CD1 3.6Å; F305-L309 HydrophobicContact CD1-CG 4.32Å; F305-L309 HydrophobicContact CE1-CD1 3.2Å; F305-L309 HydrophobicContact CE1-CG 4.1Å; F305-L309 HydrophobicContact CZ-CD1 3.84Å; F305-L309 HydrophobicContact CZ-CG 4.39Å; F305-L309 WeakPolarHBondContact O-CG 3.37Å; F305-L309 PolarHBondContact O-N 3.16Å
306	T	86.3	Confident	86.6	Confident	3 Å²	3	57.1 Å²	57.1	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-68.2	-29.4	179.3	50	0	0	0	0	113.1	Y301 S302 A310 S327	Y301-T306 HydrophobicContact CD1-CG2 3.72Å; Y301-T306 HydrophobicContact CE1-CG2 3.41Å; Y301-T306 VanDerWaalsContact CE1-CG2 3.41Å; Y301-T306 PolarHBondContact O-N 3.39Å; Y301-T306 PolarHBondContact O-OG1 3.49Å; S302-T306 PolarHBondContact O-OG1 3.38Å; T306-A310 WeakPolarHBondContact O-CB 3.31Å; T306-A310 PolarHBondContact O-N 2.83Å; T306-S327 WeakPolarHBondContact OG1-CB 3.5Å
307	D	82.3	Confident	86.1	Confident	85 Å²	85	59.5 Å²	59.5	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-68.9	-46.5	176.7	-171.9	65.3	0	0	0	110.9	T303 C304 F305 L309 A310 S311	T303-D307 WeakPolarHBondContact O-CB 3.37Å; C304-D307 PolarHBondContact O-N 3.14Å; F305-D307 VanDerWaalsContact C-N 3.3Å; F305-D307 PolarHBondContact O-N 3.34Å; D307-L309 VanDerWaalsContact C-N 3.34Å; D307-L309 PolarHBondContact O-N 3.44Å; D307-A310 PolarHBondContact O-N 3.39Å; D307-S311 WeakPolarHBondContact O-CB 3.47Å; D307-S311 PolarHBondContact O-N 3.06Å
308	T	83.3	Confident	85.8	Confident	12 Å²	12	58.1 Å²	58.1	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-45.8	173.2	-52.6	0	0	0	0	111.4	I62 C304 F305 S311 I312	I62-T308 HydrophobicContact CG1-CG2 4.4Å; I62-T308 HydrophobicContact CG2-CG2 4.11Å; C304-T308 PolarHBondContact O-N 3.47Å; C304-T308 VanDerWaalsContact O-N 3.15Å; C304-T308 PolarHBondContact O-OG1 3.23Å; C304-T308 VanDerWaalsContact O-OG1 3.1Å; F305-T308 PolarHBondContact O-N 2.86Å; T308-S311 WeakPolarHBondContact O-CB 3.33Å; T308-S311 PolarHBondContact O-N 3.28Å; T308-I312 HydrophobicContact CG2-CD1 4.27Å; T308-I312 WeakPolarHBondContact O-CG1 3.46Å; T308-I312 PolarHBondContact O-N 3Å
309	L	84.5	Confident	85.4	Confident	41 Å²	41	59.8 Å²	59.8	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-45	177.4	-76.1	179.3	0	0	0	113.2	F305 D307 S311 I312 L313 F323	F305-L309 HydrophobicContact CD1-CD1 3.6Å; F305-L309 HydrophobicContact CD1-CG 4.32Å; F305-L309 HydrophobicContact CE1-CD1 3.2Å; F305-L309 HydrophobicContact CE1-CG 4.1Å; F305-L309 HydrophobicContact CZ-CD1 3.84Å; F305-L309 HydrophobicContact CZ-CG 4.39Å; F305-L309 WeakPolarHBondContact O-CG 3.37Å; F305-L309 PolarHBondContact O-N 3.16Å; D307-L309 VanDerWaalsContact C-N 3.34Å; D307-L309 PolarHBondContact O-N 3.44Å; L309-S311 PolarHBondContact O-N 2.92Å; L309-I312 PolarHBondContact O-N 3.3Å; L309-L313 WeakPolarHBondContact O-CG 3.21Å; L309-L313 PolarHBondContact O-N 3.41Å; L309-L313 VanDerWaalsContact O-N 3.1Å; L309-F323 HydrophobicContact CB-CD1 4.25Å; L309-F323 HydrophobicContact CB-CG 4.35Å; L309-F323 HydrophobicContact CD1-CD1 3.9Å; L309-F323 HydrophobicContact CD1-CE1 3.6Å; L309-F323 HydrophobicContact CD1-CZ 4.2Å
310	A	77.4	Confident	85	Confident	11 Å²	11	62.1 Å²	62.1	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-34.3	177.2	0	0	0	0	0	111.1	T306 D307 L313 K314 F323	T306-A310 WeakPolarHBondContact O-CB 3.31Å; T306-A310 PolarHBondContact O-N 2.83Å; D307-A310 PolarHBondContact O-N 3.39Å; A310-L313 PolarHBondContact O-N 3.41Å; A310-K314 WeakPolarHBondContact O-CG 3.36Å; A310-K314 PolarHBondContact O-N 3.47Å; A310-F323 HydrophobicContact CB-CB 4.42Å
311	S	76.9	Confident	84.6	Confident	61 Å²	61	60.8 Å²	60.8	43%	0.427	31%	0.309	S	S	.	.	H	α-helix	trans	-66.7	-39.3	177.5	-168.3	0	0	0	0	113	D307 T308 L309 L313 K314	D307-S311 WeakPolarHBondContact O-CB 3.47Å; D307-S311 PolarHBondContact O-N 3.06Å; T308-S311 WeakPolarHBondContact O-CB 3.33Å; T308-S311 PolarHBondContact O-N 3.28Å; L309-S311 PolarHBondContact O-N 2.92Å; S311-L313 VanDerWaalsContact C-N 3.34Å; S311-K314 WeakPolarHBondContact O-CG 3.47Å
312	I	80.6	Confident	84.5	Confident	107 Å²	107	60.3 Å²	60.3	55%	0.549	31%	0.307	S	S	.	.	H	α-helix	trans	-67.9	-36.2	176.2	-66	164.1	0	0	0	111.1	I62 T308 L309	I62-I312 HydrophobicContact CD1-CD1 4.4Å; T308-I312 HydrophobicContact CG2-CD1 4.27Å; T308-I312 WeakPolarHBondContact O-CG1 3.46Å; T308-I312 PolarHBondContact O-N 3Å; L309-I312 PolarHBondContact O-N 3.3Å
313	L	79.3	Confident	84.3	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.23	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	16.7	-169.9	-62.2	171.3	0	0	0	114.5	L309 A310 S311 L315 Q316 L319 F323	L309-L313 WeakPolarHBondContact O-CG 3.21Å; L309-L313 PolarHBondContact O-N 3.41Å; L309-L313 VanDerWaalsContact O-N 3.1Å; A310-L313 PolarHBondContact O-N 3.41Å; S311-L313 VanDerWaalsContact C-N 3.34Å; L313-L315 PolarHBondContact O-N 3.24Å; L313-Q316 PolarHBondContact O-N 2.87Å; L313-L319 HydrophobicContact CB-CB 4.42Å; L313-L319 HydrophobicContact CD1-CB 4.36Å; L313-L319 HydrophobicContact CD2-CD1 4.33Å; L313-F323 HydrophobicContact CD1-CD2 3.43Å; L313-F323 VanDerWaalsContact CD1-CD2 3.43Å; L313-F323 HydrophobicContact CD1-CE2 3.2Å; L313-F323 HydrophobicContact CD1-CZ 4.21Å
314	K	74.4	Confident	84	Confident	142 Å²	142	60.2 Å²	60.2	62%	0.617	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.4	-178	-72.2	-179	-167.9	-176	0	114.5	A310 S311 Q316	A310-K314 WeakPolarHBondContact O-CG 3.36Å; A310-K314 PolarHBondContact O-N 3.47Å; S311-K314 WeakPolarHBondContact O-CG 3.47Å; K314-Q316 VanDerWaalsContact C-N 3.27Å; K314-Q316 PolarHBondContact O-N 2.89Å
315	L	78.1	Confident	84	Confident	159 Å²	159	60.1 Å²	60.1	83%	0.832	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.6	-179.5	-65.3	175.2	0	0	0	113.9	L313 P317	L313-L315 PolarHBondContact O-N 3.24Å; L315-P317 WeakPolarHBondContact O-CD 3.42Å
316	Q	85.4	Confident	84.1	Confident	112 Å²	112	56.9 Å²	56.9	52%	0.523	29%	0.29	S	S	.	.			trans	-116.3	94.2	-177.5	-64.8	-61.4	-33.7	0	0	109.7	L313 K314 W318 L319 H320	L313-Q316 PolarHBondContact O-N 2.87Å; K314-Q316 VanDerWaalsContact C-N 3.27Å; K314-Q316 PolarHBondContact O-N 2.89Å; Q316-W318 VanDerWaalsContact C-N 3.29Å; Q316-W318 PolarHBondContact O-N 3.17Å; Q316-W318 VanDerWaalsContact O-N 3.14Å; Q316-L319 HydrophobicContact CB-CB 3.9Å; Q316-L319 HydrophobicContact CB-CD1 3.86Å; Q316-L319 HydrophobicContact CB-CG 4.12Å; Q316-L319 HydrophobicContact CG-CD1 4.12Å; Q316-L319 PolarHBondContact O-N 3.4Å; Q316-L319 VanDerWaalsContact O-N 3.08Å; Q316-H320 WeakPolarHBondContact O-CB 3.4Å; Q316-H320 PolarHBondContact O-N 3.47Å
317	P	84.9	Confident	84.3	Confident	79 Å²	79	57.1 Å²	57.1	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-55.5	-38.9	-169.1	-27.8	34.5	0	0	0	114.5	L315 A321 L530	L315-P317 WeakPolarHBondContact O-CD 3.42Å; P317-A321 VanDerWaalsContact O-CB 3.26Å; P317-A321 WeakPolarHBondContact O-CB 3.45Å; P317-A321 PolarHBondContact O-N 3.04Å; P317-L530 HydrophobicContact CB-CD2 4.41Å
318	W	88	Confident	84.7	Confident	89 Å²	89	55.7 Å²	55.7	34%	0.337	28%	0.281	S	S	.	.	H	α-helix	trans	-73.7	-37.9	178.9	-77.4	103.8	0	0	0	113.3	Q316 A321 Y322 F499 Y503 L530 L533	Q316-W318 VanDerWaalsContact C-N 3.29Å; Q316-W318 PolarHBondContact O-N 3.17Å; Q316-W318 VanDerWaalsContact O-N 3.14Å; W318-A321 PolarHBondContact O-N 2.96Å; W318-Y322 WeakPolarHBondContact O-CB 3.39Å; W318-Y322 PolarHBondContact O-N 3.36Å; W318-F499 HydrophobicContact CD2-CE2 4.44Å; W318-F499 HydrophobicContact CE3-CD2 4.13Å; W318-F499 HydrophobicContact CE3-CE2 4.04Å; W318-F499 AromaticContact CH2-CD2 3.91Å; W318-F499 HydrophobicContact CH2-CD2 3.91Å; W318-F499 AromaticContact CH2-CE2 3.1Å; W318-F499 HydrophobicContact CH2-CE2 3.1Å; W318-F499 AromaticContact CH2-CZ 3.55Å; W318-F499 HydrophobicContact CH2-CZ 3.55Å; W318-F499 AromaticContact CZ2-CE2 3.58Å; W318-F499 HydrophobicContact CZ2-CE2 3.58Å; W318-F499 HydrophobicContact CZ2-CZ 4.11Å; W318-F499 AromaticContact CZ3-CD2 3.65Å; W318-F499 HydrophobicContact CZ3-CD2 3.65Å; W318-F499 AromaticContact CZ3-CE2 3.36Å; W318-F499 HydrophobicContact CZ3-CE2 3.36Å; W318-F499 HydrophobicContact CZ3-CZ 4.12Å; W318-Y503 HydrophobicContact CH2-CD2 4.02Å; W318-L530 HydrophobicContact CD2-CD2 4.26Å; W318-L530 HydrophobicContact CH2-CB 4.3Å; W318-L530 HydrophobicContact CH2-CD1 4.38Å; W318-L530 HydrophobicContact CZ2-CB 4.17Å; W318-L530 HydrophobicContact CZ2-CD2 4.24Å; W318-L530 HydrophobicContact CZ3-CD1 4.39Å; W318-L533 HydrophobicContact CZ2-CB 4.24Å; W318-L533 HydrophobicContact CZ2-CD2 3.9Å
319	L	88	Confident	85.2	Confident	80 Å²	80	55.5 Å²	55.5	42%	0.419	28%	0.279	S	S	.	.	H	α-helix	trans	-68.3	-43.4	174.2	-70.2	177.8	0	0	0	110.6	L313 Q316 A321 Y322 F323	L313-L319 HydrophobicContact CB-CB 4.42Å; L313-L319 HydrophobicContact CD1-CB 4.36Å; L313-L319 HydrophobicContact CD2-CD1 4.33Å; Q316-L319 HydrophobicContact CB-CB 3.9Å; Q316-L319 HydrophobicContact CB-CD1 3.86Å; Q316-L319 HydrophobicContact CB-CG 4.12Å; Q316-L319 HydrophobicContact CG-CD1 4.12Å; Q316-L319 PolarHBondContact O-N 3.4Å; Q316-L319 VanDerWaalsContact O-N 3.08Å; L319-A321 VanDerWaalsContact C-N 3.32Å; L319-A321 PolarHBondContact O-N 2.93Å; L319-Y322 WeakPolarHBondContact O-CB 3.23Å; L319-Y322 PolarHBondContact O-N 3.36Å; L319-F323 WeakPolarHBondContact O-CD2 3.44Å; L319-F323 PolarHBondContact O-N 3.33Å
320	H	85.4	Confident	85.7	Confident	63 Å²	63	54.7 Å²	54.7	29%	0.292	27%	0.274	S	S	.	.	H	α-helix	trans	-57.5	-46	171.6	177.9	-77.9	0	0	0	111	Q316 Y322 F323 A324	Q316-H320 WeakPolarHBondContact O-CB 3.4Å; Q316-H320 PolarHBondContact O-N 3.47Å; H320-Y322 VanDerWaalsContact C-N 3.34Å; H320-Y322 PolarHBondContact O-N 2.83Å; H320-F323 PolarHBondContact O-N 3.35Å; H320-A324 WeakPolarHBondContact O-CB 3.36Å; H320-A324 PolarHBondContact O-N 2.66Å
321	A	85.7	Confident	86.4	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-41.4	176.2	0	0	0	0	0	112.3	P317 W318 L319 S325 V506 L530	P317-A321 VanDerWaalsContact O-CB 3.26Å; P317-A321 WeakPolarHBondContact O-CB 3.45Å; P317-A321 PolarHBondContact O-N 3.04Å; W318-A321 PolarHBondContact O-N 2.96Å; L319-A321 VanDerWaalsContact C-N 3.32Å; L319-A321 PolarHBondContact O-N 2.93Å; A321-S325 VanDerWaalsContact O-CB 3.22Å; A321-S325 WeakPolarHBondContact O-CB 3.12Å; A321-S325 PolarHBondContact O-N 3.49Å; A321-S325 PolarHBondContact O-OG 2.89Å; A321-V506 HydrophobicContact CB-CB 4.13Å; A321-V506 HydrophobicContact CB-CG2 3.61Å; A321-L530 HydrophobicContact CB-CD1 4.26Å
322	Y	90.2	Very high	87.2	Confident	51 Å²	51	55.1 Å²	55.1	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-53.3	175.6	177.6	-96.9	0	0	0	111.6	W318 L319 H320 A324 S325 Q326 I498 A502	W318-Y322 WeakPolarHBondContact O-CB 3.39Å; W318-Y322 PolarHBondContact O-N 3.36Å; L319-Y322 WeakPolarHBondContact O-CB 3.23Å; L319-Y322 PolarHBondContact O-N 3.36Å; H320-Y322 VanDerWaalsContact C-N 3.34Å; H320-Y322 PolarHBondContact O-N 2.83Å; Y322-A324 PolarHBondContact O-N 3.17Å; Y322-S325 PolarHBondContact O-N 2.89Å; Y322-S325 PolarHBondContact O-OG 3.03Å; Y322-Q326 WeakPolarHBondContact O-CB 3.42Å; Y322-Q326 PolarHBondContact O-N 3.34Å; Y322-Q326 PolarHBondContact OH-NE2 2.94Å; Y322-I498 HydrophobicContact CD2-CG2 4.12Å; Y322-I498 HydrophobicContact CE2-CG2 3.78Å; Y322-A502 HydrophobicContact CD2-CB 4.29Å
323	F	88.9	Confident	88	Confident	33 Å²	33	50 Å²	50	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-68.6	-35.7	-179	-74	-67.2	0	0	0	113.2	L309 A310 L313 L319 H320 Q326 S327	L309-F323 HydrophobicContact CB-CD1 4.25Å; L309-F323 HydrophobicContact CB-CG 4.35Å; L309-F323 HydrophobicContact CD1-CD1 3.9Å; L309-F323 HydrophobicContact CD1-CE1 3.6Å; L309-F323 HydrophobicContact CD1-CZ 4.2Å; A310-F323 HydrophobicContact CB-CB 4.42Å; L313-F323 HydrophobicContact CD1-CD2 3.43Å; L313-F323 VanDerWaalsContact CD1-CD2 3.43Å; L313-F323 HydrophobicContact CD1-CE2 3.2Å; L313-F323 HydrophobicContact CD1-CZ 4.21Å; L319-F323 WeakPolarHBondContact O-CD2 3.44Å; L319-F323 PolarHBondContact O-N 3.33Å; H320-F323 PolarHBondContact O-N 3.35Å; F323-Q326 PolarHBondContact O-N 3.49Å; F323-S327 PolarHBondContact O-N 2.96Å
324	A	85.5	Confident	88.8	Confident	11 Å²	11	48.8 Å²	48.8	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-43.1	171.5	0	0	0	0	0	111.5	H320 Y322 Q326 S327	H320-A324 WeakPolarHBondContact O-CB 3.36Å; H320-A324 PolarHBondContact O-N 2.66Å; Y322-A324 PolarHBondContact O-N 3.17Å; A324-Q326 VanDerWaalsContact C-N 3.3Å; A324-Q326 PolarHBondContact O-N 3.14Å; A324-S327 PolarHBondContact O-N 3.07Å; A324-S327 PolarHBondContact O-OG 2.92Å
325	S	89.5	Confident	89.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.8	-35.8	174.4	74.4	0	0	0	0	112.1	A321 Y322 F328 R329	A321-S325 VanDerWaalsContact O-CB 3.22Å; A321-S325 WeakPolarHBondContact O-CB 3.12Å; A321-S325 PolarHBondContact O-N 3.49Å; A321-S325 PolarHBondContact O-OG 2.89Å; Y322-S325 PolarHBondContact O-N 2.89Å; Y322-S325 PolarHBondContact O-OG 3.03Å; S325-F328 WeakPolarHBondContact O-CB 3.23Å; S325-F328 PolarHBondContact O-N 3.49Å; S325-R329 WeakPolarHBondContact O-CG 3.38Å; S325-R329 PolarHBondContact O-N 2.98Å; S325-R329 VanDerWaalsContact O-N 3.14Å; S325-R329 PolarHBondContact O-NH1 3.42Å; S325-R329 PolarHBondContact OG-NH1 2.84Å
326	Q	91.6	Very high	90.7	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-68.7	-36.9	-179.7	-169.5	174.8	63.4	0	0	111.5	Y301 Y322 F323 A324 F328 R329 F330 E384	Y301-Q326 HydrophobicContact CE1-CG 4.16Å; Y301-Q326 PolarHBondContact OH-OE1 3.22Å; Y322-Q326 WeakPolarHBondContact O-CB 3.42Å; Y322-Q326 PolarHBondContact O-N 3.34Å; Y322-Q326 PolarHBondContact OH-NE2 2.94Å; F323-Q326 PolarHBondContact O-N 3.49Å; A324-Q326 VanDerWaalsContact C-N 3.3Å; A324-Q326 PolarHBondContact O-N 3.14Å; Q326-F328 VanDerWaalsContact C-N 3.29Å; Q326-F328 PolarHBondContact O-N 3.05Å; Q326-R329 PolarHBondContact O-N 3.04Å; Q326-F330 HydrophobicContact CG-CD2 3.52Å; Q326-F330 HydrophobicContact CG-CE2 3.46Å; Q326-F330 VanDerWaalsContact CG-CE2 3.46Å; Q326-F330 VanDerWaalsContact O-CD2 3.3Å; Q326-F330 WeakPolarHBondContact O-CD2 3.47Å; Q326-F330 PolarHBondContact O-N 3.28Å; Q326-E384 PolarHBondContact NE2-OE2 3.03Å; Q326-E384 VanDerWaalsContact NE2-OE2 3.17Å
327	S	90.9	Very high	91.2	Very high	8 Å²	8	32.2 Å²	32.2	6%	0.056	16%	0.161	C	C	.	.	H	α-helix	trans	-56	-46.4	173.7	79.2	0	0	0	0	110.6	S302 T306 F323 A324 R329 F330 S331	S302-S327 WeakPolarHBondContact O-CB 3.22Å; S302-S327 PolarHBondContact OG-O 3.36Å; T306-S327 WeakPolarHBondContact OG1-CB 3.5Å; F323-S327 PolarHBondContact O-N 2.96Å; A324-S327 PolarHBondContact O-N 3.07Å; A324-S327 PolarHBondContact O-OG 2.92Å; S327-R329 PolarHBondContact O-N 3.32Å; S327-F330 PolarHBondContact O-N 2.7Å; S327-S331 PolarHBondContact O-N 2.83Å
328	F	90.4	Very high	91.8	Very high	54 Å²	54	28.6 Å²	28.6	24%	0.237	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-45.3	176.2	176	-102	0	0	0	112.6	S325 Q326 S331 H332 W396 F508	S325-F328 WeakPolarHBondContact O-CB 3.23Å; S325-F328 PolarHBondContact O-N 3.49Å; Q326-F328 VanDerWaalsContact C-N 3.29Å; Q326-F328 PolarHBondContact O-N 3.05Å; F328-S331 WeakPolarHBondContact O-CB 3.26Å; F328-S331 PolarHBondContact O-N 3.48Å; F328-H332 PolarHBondContact O-N 3.46Å; F328-H332 VanDerWaalsContact O-N 3.11Å; F328-W396 HydrophobicContact CD1-CH2 4.03Å; F328-W396 HydrophobicContact CD1-CZ2 4.39Å; F328-W396 AromaticContact CE1-CH2 3.76Å; F328-W396 HydrophobicContact CE1-CH2 3.76Å; F328-W396 AromaticContact CE1-CZ2 3.68Å; F328-W396 HydrophobicContact CE1-CZ2 3.68Å; F328-W396 HydrophobicContact CZ-CZ2 4.35Å; F328-F508 HydrophobicContact CB-CB 4.02Å; F328-F508 HydrophobicContact CD1-CB 4.4Å; F328-F508 HydrophobicContact CD1-CD2 4.03Å; F328-F508 HydrophobicContact CD1-CG 4.4Å; F328-F508 HydrophobicContact CD2-CB 3.52Å; F328-F508 HydrophobicContact CD2-CD1 4.48Å; F328-F508 HydrophobicContact CD2-CD2 4.3Å; F328-F508 AromaticContact CD2-CG 3.87Å; F328-F508 HydrophobicContact CD2-CG 3.87Å; F328-F508 AromaticContact CE1-CD2 3.96Å; F328-F508 HydrophobicContact CE1-CD2 3.96Å; F328-F508 HydrophobicContact CE1-CE2 4.31Å; F328-F508 HydrophobicContact CE1-CG 4.42Å; F328-F508 HydrophobicContact CE2-CB 4.05Å; F328-F508 HydrophobicContact CE2-CD1 4.15Å; F328-F508 HydrophobicContact CE2-CD2 4.23Å; F328-F508 AromaticContact CE2-CG 3.88Å; F328-F508 HydrophobicContact CE2-CG 3.88Å; F328-F508 HydrophobicContact CG-CB 3.72Å; F328-F508 HydrophobicContact CG-CD2 4.2Å; F328-F508 HydrophobicContact CG-CG 4.13Å; F328-F508 HydrophobicContact CZ-CD1 4.5Å; F328-F508 HydrophobicContact CZ-CD2 4.06Å; F328-F508 HydrophobicContact CZ-CE2 4.34Å; F328-F508 HydrophobicContact CZ-CG 4.16Å
329	R	93.7	Very high	92.2	Very high	8 Å²	8	24.6 Å²	24.6	3%	0.03	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-42.8	178	-60.5	-164.3	-67.9	-78.8	-1.5	112.4	S325 Q326 S327 S331 H332 Y333 E384 W396	S325-R329 WeakPolarHBondContact O-CG 3.38Å; S325-R329 PolarHBondContact O-N 2.98Å; S325-R329 VanDerWaalsContact O-N 3.14Å; S325-R329 PolarHBondContact O-NH1 3.42Å; S325-R329 PolarHBondContact OG-NH1 2.84Å; Q326-R329 PolarHBondContact O-N 3.04Å; S327-R329 PolarHBondContact O-N 3.32Å; R329-S331 VanDerWaalsContact C-N 3.33Å; R329-S331 PolarHBondContact O-N 2.87Å; R329-H332 CarbonylContact O-C 3.59Å; R329-H332 WeakPolarHBondContact O-CA 3.47Å; R329-H332 VanDerWaalsContact O-CB 3.27Å; R329-H332 WeakPolarHBondContact O-CB 3.31Å; R329-H332 PolarHBondContact O-N 3.42Å; R329-Y333 HydrophobicContact CB-CE1 4.45Å; R329-Y333 HydrophobicContact CB-CE2 4.18Å; R329-Y333 WeakPolarHBondContact O-CD1 3.46Å; R329-Y333 VanDerWaalsContact O-CG 3.27Å; R329-Y333 PolarHBondContact O-N 3.3Å; R329-E384 IonicContact CZ-OE1 2.76Å; R329-E384 IonicContact CZ-OE2 3.66Å; R329-E384 IonicContact NE-OE1 2.67Å; R329-E384 PolarHBondContact NE-OE1 3.47Å; R329-E384 IonicContact NE-OE2 3.65Å; R329-E384 PolarHBondContact NE-OE2 3.27Å; R329-E384 IonicContact NH2-OE1 2.82Å; R329-E384 IonicContact NH2-OE2 3.45Å; R329-E384 PolarHBondContact NH2-OE2 2.93Å; R329-W396 HydrophobicContact CB-CH2 4.17Å; R329-W396 HydrophobicContact CB-CZ3 4.01Å; R329-W396 HydrophobicContact CG-CH2 3.79Å; R329-W396 HydrophobicContact CG-CZ3 3.57Å
330	F	94.7	Very high	92.6	Very high	24 Å²	24	21.4 Å²	21.4	11%	0.105	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-31.9	178.1	-84.8	-114.4	0	0	0	112.9	Y298 Y301 Q326 S327 H332 Y333 F334 E384	Y298-F330 AromaticContact CD1-CD1 3.5Å; Y298-F330 HydrophobicContact CD1-CD1 3.5Å; Y298-F330 VanDerWaalsContact CD1-CD1 3.5Å; Y298-F330 AromaticContact CD1-CE1 3.72Å; Y298-F330 HydrophobicContact CD1-CE1 3.72Å; Y298-F330 HydrophobicContact CD1-CG 4.42Å; Y298-F330 HydrophobicContact CE1-CD1 4.08Å; Y298-F330 AromaticContact CE1-CE1 3.85Å; Y298-F330 HydrophobicContact CE1-CE1 3.85Å; Y301-F330 HydrophobicContact CD1-CB 4.04Å; Y301-F330 AromaticContact CD1-CD1 3.03Å; Y301-F330 HydrophobicContact CD1-CD1 3.03Å; Y301-F330 HydrophobicContact CD1-CD2 4.02Å; Y301-F330 AromaticContact CD1-CE1 3.31Å; Y301-F330 HydrophobicContact CD1-CE1 3.31Å; Y301-F330 HydrophobicContact CD1-CE2 4.22Å; Y301-F330 AromaticContact CD1-CG 3.43Å; Y301-F330 HydrophobicContact CD1-CG 3.43Å; Y301-F330 VanDerWaalsContact CD1-CG 3.43Å; Y301-F330 AromaticContact CD1-CZ 3.9Å; Y301-F330 HydrophobicContact CD1-CZ 3.9Å; Y301-F330 HydrophobicContact CD2-CD1 4.38Å; Y301-F330 HydrophobicContact CD2-CE1 4.03Å; Y301-F330 AromaticContact CE1-CD1 3.64Å; Y301-F330 HydrophobicContact CE1-CD1 3.64Å; Y301-F330 AromaticContact CE1-CD2 3.92Å; Y301-F330 HydrophobicContact CE1-CD2 3.92Å; Y301-F330 AromaticContact CE1-CE1 3.53Å; Y301-F330 HydrophobicContact CE1-CE1 3.53Å; Y301-F330 AromaticContact CE1-CE2 3.8Å; Y301-F330 HydrophobicContact CE1-CE2 3.8Å; Y301-F330 AromaticContact CE1-CG 3.84Å; Y301-F330 HydrophobicContact CE1-CG 3.84Å; Y301-F330 AromaticContact CE1-CZ 3.61Å; Y301-F330 HydrophobicContact CE1-CZ 3.61Å; Y301-F330 HydrophobicContact CE2-CE1 4.22Å; Y301-F330 HydrophobicContact CE2-CZ 4.49Å; Y301-F330 AromaticContact CG-CD1 3.48Å; Y301-F330 HydrophobicContact CG-CD1 3.48Å; Y301-F330 VanDerWaalsContact CG-CD1 3.48Å; Y301-F330 AromaticContact CG-CE1 3.58Å; Y301-F330 HydrophobicContact CG-CE1 3.58Å; Y301-F330 HydrophobicContact CG-CG 4.3Å; Y301-F330 HydrophobicContact CG-CZ 4.46Å; Y301-F330 AromaticContact CZ-CE1 4Å; Y301-F330 AromaticContact CZ-CZ 3.95Å; Q326-F330 HydrophobicContact CG-CD2 3.52Å; Q326-F330 HydrophobicContact CG-CE2 3.46Å; Q326-F330 VanDerWaalsContact CG-CE2 3.46Å; Q326-F330 VanDerWaalsContact O-CD2 3.3Å; Q326-F330 WeakPolarHBondContact O-CD2 3.47Å; Q326-F330 PolarHBondContact O-N 3.28Å; S327-F330 PolarHBondContact O-N 2.7Å; F330-H332 VanDerWaalsContact C-N 3.3Å; F330-H332 PolarHBondContact O-N 2.89Å; F330-Y333 HydrophobicContact CB-CD2 4.34Å; F330-Y333 HydrophobicContact CD1-CD2 4.29Å; F330-Y333 AromaticContact CD2-CD2 3.89Å; F330-Y333 HydrophobicContact CD2-CD2 3.89Å; F330-Y333 AromaticContact CD2-CE2 3.69Å; F330-Y333 HydrophobicContact CD2-CE2 3.69Å; F330-Y333 HydrophobicContact CE2-CD2 4.27Å; F330-Y333 AromaticContact CE2-CE2 3.85Å; F330-Y333 HydrophobicContact CE2-CE2 3.85Å; F330-Y333 AromaticContact CG-CD2 3.92Å; F330-Y333 HydrophobicContact CG-CD2 3.92Å; F330-Y333 HydrophobicContact CG-CE2 4.21Å; F330-Y333 HydrophobicContact CZ-CE2 4.48Å; F330-Y333 PolarHBondContact O-N 3.46Å; F330-F334 PolarHBondContact O-N 3.38Å; F330-E384 HydrophobicContact CE2-CG 4.3Å
331	S	93.4	Very high	93.1	Very high	45 Å²	45	18.4 Å²	18.4	32%	0.315	9%	0.092	S	C	.	.	H	α-helix	trans	-61.4	-40.9	168.7	-92.1	0	0	0	0	111.1	S302 S327 F328 R329 F334 I335	S302-S331 WeakPolarHBondContact OG-CA 3.17Å; S302-S331 WeakPolarHBondContact OG-CB 3.43Å; S302-S331 PolarHBondContact OG-N 3.37Å; S302-S331 VanDerWaalsContact OG-N 3.09Å; S302-S331 PolarHBondContact OG-OG 3.25Å; S327-S331 PolarHBondContact O-N 2.83Å; F328-S331 WeakPolarHBondContact O-CB 3.26Å; F328-S331 PolarHBondContact O-N 3.48Å; R329-S331 VanDerWaalsContact C-N 3.33Å; R329-S331 PolarHBondContact O-N 2.87Å; S331-F334 WeakPolarHBondContact O-CB 3.29Å; S331-F334 PolarHBondContact O-N 3.01Å; S331-I335 PolarHBondContact O-N 3.22Å
332	H	93.7	Very high	93.6	Very high	36 Å²	36	18.5 Å²	18.5	17%	0.167	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-42.3	174.3	-173.1	-85.6	0	0	0	111.8	F328 R329 F330 F334 I335 C336 W396	F328-H332 PolarHBondContact O-N 3.46Å; F328-H332 VanDerWaalsContact O-N 3.11Å; R329-H332 CarbonylContact O-C 3.59Å; R329-H332 WeakPolarHBondContact O-CA 3.47Å; R329-H332 VanDerWaalsContact O-CB 3.27Å; R329-H332 WeakPolarHBondContact O-CB 3.31Å; R329-H332 PolarHBondContact O-N 3.42Å; F330-H332 VanDerWaalsContact C-N 3.3Å; F330-H332 PolarHBondContact O-N 2.89Å; H332-F334 VanDerWaalsContact C-N 3.34Å; H332-F334 PolarHBondContact O-N 3.06Å; H332-I335 PolarHBondContact O-N 2.99Å; H332-C336 PolarHBondContact CE1-SG 2.92Å; H332-C336 PolarHBondContact ND1-SG 3.33Å; H332-C336 VanDerWaalsContact ND1-SG 3.36Å; H332-C336 PolarHBondContact O-N 2.99Å; H332-C336 PolarHBondContact O-SG 2.92Å; H332-W396 HydrophobicContact CB-CH2 3.98Å; H332-W396 HydrophobicContact CB-CZ2 3.86Å; H332-W396 AromaticContact CD2-CE2 3.74Å; H332-W396 AromaticContact CD2-CZ2 3.69Å; H332-W396 AromaticContact CD2-NE1 3.65Å; H332-W396 AromaticContact CE1-CE2 3.98Å; H332-W396 AromaticContact CE1-NE1 3.77Å; H332-W396 PolarHBondContact CE1-O 3.07Å; H332-W396 AromaticContact CG-CE2 3.84Å; H332-W396 AromaticContact CG-CZ2 3.61Å; H332-W396 AromaticContact ND1-CE2 3.98Å; H332-W396 AromaticContact NE2-CD1 3.94Å; H332-W396 AromaticContact NE2-CE2 3.85Å; H332-W396 AromaticContact NE2-NE1 3.39Å; H332-W396 PolarHBondContact NE2-NE1 2.97Å
333	Y	96.9	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-43.2	175.4	-55.2	-25	0	0	0	111.7	Y298 R329 F330 I335 C336 I337 T378 P380 I383 E384	Y298-Y333 HydrophobicContact CD1-CD2 4.19Å; Y298-Y333 HydrophobicContact CE1-CD2 4.11Å; R329-Y333 HydrophobicContact CB-CE1 4.45Å; R329-Y333 HydrophobicContact CB-CE2 4.18Å; R329-Y333 WeakPolarHBondContact O-CD1 3.46Å; R329-Y333 VanDerWaalsContact O-CG 3.27Å; R329-Y333 PolarHBondContact O-N 3.3Å; F330-Y333 HydrophobicContact CB-CD2 4.34Å; F330-Y333 HydrophobicContact CD1-CD2 4.29Å; F330-Y333 AromaticContact CD2-CD2 3.89Å; F330-Y333 HydrophobicContact CD2-CD2 3.89Å; F330-Y333 AromaticContact CD2-CE2 3.69Å; F330-Y333 HydrophobicContact CD2-CE2 3.69Å; F330-Y333 HydrophobicContact CE2-CD2 4.27Å; F330-Y333 AromaticContact CE2-CE2 3.85Å; F330-Y333 HydrophobicContact CE2-CE2 3.85Å; F330-Y333 AromaticContact CG-CD2 3.92Å; F330-Y333 HydrophobicContact CG-CD2 3.92Å; F330-Y333 HydrophobicContact CG-CE2 4.21Å; F330-Y333 HydrophobicContact CZ-CE2 4.48Å; F330-Y333 PolarHBondContact O-N 3.46Å; Y333-I335 PolarHBondContact O-N 3.15Å; Y333-C336 PolarHBondContact O-N 3.3Å; Y333-I337 WeakPolarHBondContact O-CB 3.41Å; Y333-I337 VanDerWaalsContact O-CG1 3.24Å; Y333-I337 WeakPolarHBondContact O-CG1 3.39Å; Y333-I337 PolarHBondContact O-N 2.91Å; Y333-T378 HydrophobicContact CD1-CG2 4.17Å; Y333-P380 HydrophobicContact CD1-CB 4.14Å; Y333-P380 HydrophobicContact CD1-CG 3.89Å; Y333-P380 HydrophobicContact CD2-CB 3.82Å; Y333-P380 HydrophobicContact CD2-CG 4.1Å; Y333-P380 HydrophobicContact CE1-CB 4.09Å; Y333-P380 HydrophobicContact CE1-CG 4.27Å; Y333-P380 HydrophobicContact CE2-CB 3.77Å; Y333-P380 HydrophobicContact CE2-CG 4.46Å; Y333-P380 HydrophobicContact CG-CB 4.04Å; Y333-P380 HydrophobicContact CG-CG 3.82Å; Y333-I383 HydrophobicContact CE1-CD1 3.59Å; Y333-I383 WeakPolarHBondContact OH-CB 3.41Å; Y333-I383 WeakPolarHBondContact OH-CG2 3.31Å; Y333-E384 HydrophobicContact CE2-CG 4.29Å; Y333-E384 WeakPolarHBondContact CE2-OE1 3.47Å; Y333-E384 PolarHBondContact OH-OE1 3.29Å
334	F	96.1	Very high	94	Very high	18 Å²	18	14.8 Å²	14.8	8%	0.079	8%	0.078	C	C	.	.	H	α-helix	trans	-53.4	-51.5	173.9	156.2	-116.3	0	0	0	112	A77 L81 S295 L299 F330 S331 H332 S338	A77-F334 HydrophobicContact CB-CZ 4.1Å; L81-F334 HydrophobicContact CD1-CE2 3.67Å; L81-F334 HydrophobicContact CD1-CZ 3.73Å; S295-F334 WeakPolarHBondContact O-CD2 3.35Å; L299-F334 HydrophobicContact CB-CB 4.2Å; L299-F334 HydrophobicContact CB-CD1 4.32Å; L299-F334 HydrophobicContact CB-CD2 3.78Å; L299-F334 HydrophobicContact CB-CE2 4.17Å; L299-F334 HydrophobicContact CB-CG 3.83Å; L299-F334 HydrophobicContact CD1-CD1 3.9Å; L299-F334 HydrophobicContact CD1-CE1 4.01Å; L299-F334 HydrophobicContact CD1-CG 4.28Å; L299-F334 HydrophobicContact CD1-CZ 4.47Å; L299-F334 HydrophobicContact CD2-CD2 4.47Å; L299-F334 HydrophobicContact CD2-CE1 4.27Å; L299-F334 HydrophobicContact CD2-CE2 4.03Å; L299-F334 HydrophobicContact CD2-CZ 3.9Å; L299-F334 HydrophobicContact CG-CG 4.5Å; F330-F334 PolarHBondContact O-N 3.38Å; S331-F334 WeakPolarHBondContact O-CB 3.29Å; S331-F334 PolarHBondContact O-N 3.01Å; H332-F334 VanDerWaalsContact C-N 3.34Å; H332-F334 PolarHBondContact O-N 3.06Å; F334-S338 WeakPolarHBondContact O-CB 3.49Å; F334-S338 PolarHBondContact O-N 3.45Å
335	I	94.8	Very high	94.4	Very high	54 Å²	54	14.2 Å²	14.2	28%	0.277	7%	0.074	S	C	.	.	H	α-helix	trans	-62.3	-46.5	-179.8	-65.3	-62.5	0	0	0	111	F253 S331 H332 Y333 S338 S339	F253-I335 HydrophobicContact CB-CG2 4.17Å; F253-I335 HydrophobicContact CD1-CD1 4.01Å; F253-I335 HydrophobicContact CG-CD1 4.32Å; S331-I335 PolarHBondContact O-N 3.22Å; H332-I335 PolarHBondContact O-N 2.99Å; Y333-I335 PolarHBondContact O-N 3.15Å; I335-S338 PolarHBondContact O-N 2.94Å; I335-S339 WeakPolarHBondContact O-CB 3.29Å; I335-S339 PolarHBondContact O-N 3.28Å; I335-S339 PolarHBondContact O-OG 3.24Å
336	C	97	Very high	94.5	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-62	-52	-179.6	-67.3	0	0	0	0	112.1	H332 Y333 S338 S339 E340 V377 T378	H332-C336 PolarHBondContact CE1-SG 2.92Å; H332-C336 PolarHBondContact ND1-SG 3.33Å; H332-C336 VanDerWaalsContact ND1-SG 3.36Å; H332-C336 PolarHBondContact O-N 2.99Å; H332-C336 PolarHBondContact O-SG 2.92Å; Y333-C336 PolarHBondContact O-N 3.3Å; C336-S338 PolarHBondContact O-N 3.42Å; C336-S339 WeakPolarHBondContact O-CA 3.36Å; C336-S339 WeakPolarHBondContact O-CB 3.49Å; C336-S339 PolarHBondContact O-N 2.9Å; C336-S339 PolarHBondContact O-OG 3.49Å; C336-E340 WeakPolarHBondContact O-CG 3.47Å; C336-E340 PolarHBondContact O-N 3.06Å; C336-V377 HydrophobicContact CB-CB 3.98Å; C336-V377 HydrophobicContact CB-CG1 3.73Å; C336-V377 VanDerWaalsContact SG-CG1 3.57Å; C336-T378 HydrophobicContact CB-CG2 3.32Å
337	I	97	Very high	94.4	Very high	9 Å²	9	14.9 Å²	14.9	5%	0.046	8%	0.083	C	C	.	.	H	α-helix	trans	-67.7	-35.9	-177.9	-60.3	-57.3	0	0	0	111.4	L291 L294 Y298 Y333 S339 E340 S341 T378	L291-I337 HydrophobicContact CB-CG2 4.2Å; L291-I337 HydrophobicContact CD2-CG2 4.05Å; L291-I337 VanDerWaalsContact O-CG2 3.25Å; L291-I337 WeakPolarHBondContact O-CG2 3.22Å; L294-I337 HydrophobicContact CB-CG2 4.26Å; L294-I337 HydrophobicContact CD2-CG2 4.25Å; L294-I337 HydrophobicContact CG-CG2 4.29Å; Y298-I337 HydrophobicContact CD2-CB 4.49Å; Y298-I337 HydrophobicContact CD2-CG1 4.01Å; Y298-I337 HydrophobicContact CE2-CG1 3.86Å; Y333-I337 WeakPolarHBondContact O-CB 3.41Å; Y333-I337 VanDerWaalsContact O-CG1 3.24Å; Y333-I337 WeakPolarHBondContact O-CG1 3.39Å; Y333-I337 PolarHBondContact O-N 2.91Å; I337-S339 VanDerWaalsContact C-N 3.25Å; I337-S339 PolarHBondContact O-N 3.08Å; I337-E340 WeakPolarHBondContact CD1-OE2 3.29Å; I337-E340 PolarHBondContact O-N 2.61Å; I337-S341 PolarHBondContact O-N 3.47Å; I337-T378 HydrophobicContact CD1-CG2 4.29Å
338	S	96.2	Very high	94.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-35.6	171.8	-177.9	0	0	0	0	111.8	L81 F334 I335 C336 S341 S342	L81-S338 VanDerWaalsContact CD2-OG 3.27Å; L81-S338 WeakPolarHBondContact CD2-OG 3.48Å; F334-S338 WeakPolarHBondContact O-CB 3.49Å; F334-S338 PolarHBondContact O-N 3.45Å; I335-S338 PolarHBondContact O-N 2.94Å; C336-S338 PolarHBondContact O-N 3.42Å; S338-S341 WeakPolarHBondContact O-CB 3.43Å; S338-S342 PolarHBondContact O-N 3.14Å; S338-S342 VanDerWaalsContact O-N 3.09Å; S338-S342 PolarHBondContact O-OG 2.91Å
339	S	96.1	Very high	94.1	Very high	5 Å²	5	14.5 Å²	14.5	4%	0.035	9%	0.086	C	C	.	.	H	α-helix	trans	-74.5	-37.2	177	78.9	0	0	0	0	113.6	F253 G254 I335 C336 I337 S341 S342 M343	F253-S339 VanDerWaalsContact O-CB 3.22Å; F253-S339 WeakPolarHBondContact O-CB 3.37Å; G254-S339 VanDerWaalsContact CA-CB 3.49Å; I335-S339 WeakPolarHBondContact O-CB 3.29Å; I335-S339 PolarHBondContact O-N 3.28Å; I335-S339 PolarHBondContact O-OG 3.24Å; C336-S339 WeakPolarHBondContact O-CA 3.36Å; C336-S339 WeakPolarHBondContact O-CB 3.49Å; C336-S339 PolarHBondContact O-N 2.9Å; C336-S339 PolarHBondContact O-OG 3.49Å; I337-S339 VanDerWaalsContact C-N 3.25Å; I337-S339 PolarHBondContact O-N 3.08Å; S339-S341 VanDerWaalsContact C-N 3.28Å; S339-S341 PolarHBondContact O-N 3.17Å; S339-S342 PolarHBondContact O-N 2.88Å; S339-S342 VanDerWaalsContact O-N 3.13Å; S339-M343 WeakPolarHBondContact O-CG 3.3Å; S339-M343 PolarHBondContact O-N 3.23Å
340	E	96.2	Very high	93.4	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-42.1	170	-69.6	176.4	-165.4	0	0	110.8	L291 C336 I337 S342 M343 T344 V375 V377 T378	L291-E340 HydrophobicContact CD1-CB 4.09Å; C336-E340 WeakPolarHBondContact O-CG 3.47Å; C336-E340 PolarHBondContact O-N 3.06Å; I337-E340 WeakPolarHBondContact CD1-OE2 3.29Å; I337-E340 PolarHBondContact O-N 2.61Å; E340-S342 VanDerWaalsContact C-N 3.33Å; E340-S342 PolarHBondContact O-N 3.46Å; E340-M343 PolarHBondContact O-N 3.11Å; E340-T344 VanDerWaalsContact O-CB 3.27Å; E340-T344 WeakPolarHBondContact O-CB 3.43Å; E340-T344 PolarHBondContact O-N 3.27Å; E340-T344 PolarHBondContact O-OG1 3.39Å; E340-V375 WeakPolarHBondContact CG-O 3.38Å; E340-V377 HydrophobicContact CG-CB 3.94Å; E340-V377 HydrophobicContact CG-CG2 3.6Å; E340-V377 PolarHBondContact OE1-N 3.44Å; E340-T378 PolarHBondContact OE1-N 3.25Å
341	S	95.9	Very high	92.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-44.6	173.7	-176.7	0	0	0	0	111.6	T288 I337 S338 S339 T344 A345	T288-S341 WeakPolarHBondContact CG2-OG 3.25Å; T288-S341 PolarHBondContact O-OG 3.3Å; T288-S341 PolarHBondContact OG1-O 3.49Å; I337-S341 PolarHBondContact O-N 3.47Å; S338-S341 WeakPolarHBondContact O-CB 3.43Å; S339-S341 VanDerWaalsContact C-N 3.28Å; S339-S341 PolarHBondContact O-N 3.17Å; S341-T344 PolarHBondContact O-N 3.18Å; S341-A345 VanDerWaalsContact O-CB 3.31Å; S341-A345 WeakPolarHBondContact O-CB 3.19Å; S341-A345 PolarHBondContact O-N 3.14Å
342	S	96	Very high	91.5	Very high	4 Å²	4	19 Å²	19	3%	0.028	10%	0.102	C	C	.	.	H	α-helix	trans	-67.3	-41.8	179	-57.7	0	0	0	0	113	S338 S339 E340 A345 L346	S338-S342 PolarHBondContact O-N 3.14Å; S338-S342 VanDerWaalsContact O-N 3.09Å; S338-S342 PolarHBondContact O-OG 2.91Å; S339-S342 PolarHBondContact O-N 2.88Å; S339-S342 VanDerWaalsContact O-N 3.13Å; E340-S342 VanDerWaalsContact C-N 3.33Å; E340-S342 PolarHBondContact O-N 3.46Å; S342-A345 WeakPolarHBondContact O-CB 3.09Å; S342-A345 PolarHBondContact O-N 3.34Å; S342-L346 PolarHBondContact O-N 2.65Å
343	M	95	Very high	90.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.6	-40.8	174.9	-68.8	-63.7	-74.3	0	0	111.6	A249 P255 F257 S339 E340 L346 G347 Y348 V375	A249-M343 HydrophobicContact CB-CG 4.48Å; A249-M343 HydrophobicContact CB-SD 3.68Å; P255-M343 HydrophobicContact CG-CG 3.95Å; P255-M343 HydrophobicContact CG-SD 4.46Å; F257-M343 HydrophobicContact CB-CE 4.3Å; F257-M343 HydrophobicContact CD1-CE 3.69Å; F257-M343 HydrophobicContact CD1-SD 4.38Å; F257-M343 HydrophobicContact CD2-CE 4.35Å; F257-M343 HydrophobicContact CE1-CE 4.06Å; F257-M343 HydrophobicContact CE1-SD 4.35Å; F257-M343 HydrophobicContact CG-CE 3.87Å; S339-M343 WeakPolarHBondContact O-CG 3.3Å; S339-M343 PolarHBondContact O-N 3.23Å; E340-M343 PolarHBondContact O-N 3.11Å; M343-L346 WeakPolarHBondContact O-CB 3.35Å; M343-L346 PolarHBondContact O-N 3.23Å; M343-G347 PolarHBondContact O-N 3.36Å; M343-G347 VanDerWaalsContact O-N 3.12Å; M343-Y348 HydrophobicContact CE-CD1 3.47Å; M343-Y348 VanDerWaalsContact CE-CD1 3.47Å; M343-Y348 HydrophobicContact CE-CD2 4.05Å; M343-Y348 HydrophobicContact CE-CE1 3.96Å; M343-Y348 HydrophobicContact CE-CE2 4.49Å; M343-Y348 HydrophobicContact CE-CG 3.51Å; M343-Y348 PolarHBondContact O-N 2.89Å; M343-V375 HydrophobicContact CB-CB 4.47Å; M343-V375 HydrophobicContact CB-CG2 4.42Å; M343-V375 HydrophobicContact CE-CG2 4.24Å
344	T	93.1	Very high	88.3	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-65.8	-39	174.7	-57.1	0	0	0	0	111.3	R92 S284 Q287 T288 E340 S341 L346 G347	R92-T344 PolarHBondContact NH1-O 3.04Å; S284-T344 WeakPolarHBondContact OG-CG2 3.45Å; S284-T344 PolarHBondContact OG-O 2.96Å; S284-T344 VanDerWaalsContact OG-O 3.08Å; Q287-T344 HydrophobicContact CB-CG2 4.08Å; T288-T344 WeakPolarHBondContact OG1-CG2 3.38Å; E340-T344 VanDerWaalsContact O-CB 3.27Å; E340-T344 WeakPolarHBondContact O-CB 3.43Å; E340-T344 PolarHBondContact O-N 3.27Å; E340-T344 PolarHBondContact O-OG1 3.39Å; S341-T344 PolarHBondContact O-N 3.18Å; T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 2.86Å; T344-G347 WeakPolarHBondContact O-CA 3.37Å; T344-G347 PolarHBondContact O-N 3.42Å
345	A	93.8	Very high	86.3	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-42.3	176.4	0	0	0	0	0	111.3	L85 C88 L89 R92 T288 S341 S342 G347	L85-A345 HydrophobicContact CD2-CB 4.05Å; C88-A345 HydrophobicContact CB-CB 3.94Å; L89-A345 HydrophobicContact CD2-CB 4.01Å; L89-A345 HydrophobicContact CG-CB 4.27Å; R92-A345 WeakPolarHBondContact CD-O 3.3Å; R92-A345 PolarHBondContact NH1-O 2.99Å; T288-A345 HydrophobicContact CG2-CB 3.8Å; T288-A345 WeakPolarHBondContact OG1-CA 3.38Å; T288-A345 PolarHBondContact OG1-N 2.92Å; T288-A345 VanDerWaalsContact OG1-N 3.14Å; S341-A345 VanDerWaalsContact O-CB 3.31Å; S341-A345 WeakPolarHBondContact O-CB 3.19Å; S341-A345 PolarHBondContact O-N 3.14Å; S342-A345 WeakPolarHBondContact O-CB 3.09Å; S342-A345 PolarHBondContact O-N 3.34Å; A345-G347 PolarHBondContact O-N 3.2Å
346	L	92.8	Very high	84.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-26.8	173.8	-169.5	70.8	0	0	0	112.1	C88 W91 C247 A249 M265 S342 M343 T344	C88-L346 HydrophobicContact CB-CB 4.12Å; C88-L346 HydrophobicContact CB-CD1 4.29Å; W91-L346 HydrophobicContact CB-CD1 4.12Å; W91-L346 HydrophobicContact CD2-CD1 3.74Å; W91-L346 HydrophobicContact CE3-CD1 3.43Å; W91-L346 VanDerWaalsContact CE3-CD1 3.43Å; W91-L346 HydrophobicContact CE3-CG 4.07Å; W91-L346 HydrophobicContact CG-CD1 4.03Å; W91-L346 HydrophobicContact CZ3-CD1 4.15Å; W91-L346 HydrophobicContact CZ3-CG 4.34Å; C247-L346 VanDerWaalsContact SG-CD2 3.59Å; A249-L346 HydrophobicContact CB-CB 4.32Å; A249-L346 HydrophobicContact CB-CD2 3.99Å; M265-L346 HydrophobicContact CE-CD2 4.01Å; M265-L346 HydrophobicContact CE-CG 4.35Å; M265-L346 HydrophobicContact SD-CD2 4.38Å; M265-L346 HydrophobicContact SD-CG 4.47Å; S342-L346 PolarHBondContact O-N 2.65Å; M343-L346 WeakPolarHBondContact O-CB 3.35Å; M343-L346 PolarHBondContact O-N 3.23Å; T344-L346 VanDerWaalsContact C-N 3.34Å; T344-L346 PolarHBondContact O-N 2.86Å
347	G	88.6	Confident	81.7	Confident	24 Å²	24	35.5 Å²	35.5	25%	0.247	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	18.6	-176.9	0	0	0	0	0	113.6	M343 T344 A345	M343-G347 PolarHBondContact O-N 3.36Å; M343-G347 VanDerWaalsContact O-N 3.12Å; T344-G347 WeakPolarHBondContact O-CA 3.37Å; T344-G347 PolarHBondContact O-N 3.42Å; A345-G347 PolarHBondContact O-N 3.2Å
348	Y	89.7	Confident	79.2	Confident	4 Å²	4	43 Å²	43	2%	0.016	23%	0.229	C	C	.	.			trans	-75.4	136.4	175.8	-173.9	-81.1	0	0	0	110.2	F257 R261 M265 M343 V375	F257-Y348 HydrophobicContact CB-CE1 4.25Å; F257-Y348 HydrophobicContact CD2-CD2 4.2Å; F257-Y348 AromaticContact CD2-CE2 3.47Å; F257-Y348 HydrophobicContact CD2-CE2 3.47Å; F257-Y348 VanDerWaalsContact CD2-CE2 3.47Å; F257-Y348 AromaticContact CD2-CZ 3.68Å; F257-Y348 HydrophobicContact CE2-CD2 4.38Å; F257-Y348 AromaticContact CE2-CE2 3.97Å; F257-Y348 HydrophobicContact CE2-CE2 3.97Å; F257-Y348 HydrophobicContact CG-CE2 4.25Å; R261-Y348 HydrophobicContact CB-CE2 4.09Å; R261-Y348 WeakPolarHBondContact CB-OH 3.5Å; M265-Y348 HydrophobicContact CE-CD2 4.46Å; M265-Y348 HydrophobicContact SD-CD2 3.69Å; M265-Y348 HydrophobicContact SD-CG 4.17Å; M343-Y348 HydrophobicContact CE-CD1 3.47Å; M343-Y348 VanDerWaalsContact CE-CD1 3.47Å; M343-Y348 HydrophobicContact CE-CD2 4.05Å; M343-Y348 HydrophobicContact CE-CE1 3.96Å; M343-Y348 HydrophobicContact CE-CE2 4.49Å; M343-Y348 HydrophobicContact CE-CG 3.51Å; M343-Y348 PolarHBondContact O-N 2.89Å; Y348-V375 HydrophobicContact CD1-CG2 3.3Å; Y348-V375 HydrophobicContact CE1-CG2 3.53Å
349	C	85.3	Confident	76.5	Confident	49 Å²	49	52.2 Å²	52.2	33%	0.331	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.8	174.4	-65.7	0	0	0	0	108.6	K373	C349-K373 CarbonylContact C-O 3.57Å; C349-K373 VanDerWaalsContact CA-O 3.31Å; C349-K373 WeakPolarHBondContact CA-O 3.45Å; C349-K373 WeakPolarHBondContact CB-O 3.22Å
350	D	78.9	Confident	74	Confident	54 Å²	54	58.6 Å²	58.6	29%	0.289	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	154.6	174	-150.5	-6.5	0	0	0	110.7	Y352 Y372 K373	D350-Y352 HydrophobicContact CB-CE2 3.9Å; D350-Y372 VanDerWaalsContact O-CA 3.29Å; D350-Y372 WeakPolarHBondContact O-CA 3.1Å; D350-K373 PolarHBondContact N-O 3.2Å; D350-K373 PolarHBondContact O-N 3.01Å
351	K	77.2	Confident	71.5	Confident	60 Å²	60	66.3 Å²	66.3	26%	0.261	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.9	-175	-173.6	-167.2	-179.3	-172.2	0	109.7	R261 D370 Y372	R261-K351 VanDerWaalsContact NH1-CD 3.3Å; R261-K351 VanDerWaalsContact NH2-CD 3.33Å; K351-D370 HydrophobicContact CD-CB 4.42Å; K351-D370 WeakPolarHBondContact CE-OD1 3.35Å; K351-D370 WeakPolarHBondContact CE-OD2 3.43Å; K351-D370 HydrophobicContact CG-CB 4.23Å; K351-D370 IonicContact NZ-OD1 3.67Å; K351-D370 PolarHBondContact NZ-OD1 3.47Å; K351-D370 IonicContact NZ-OD2 2.92Å; K351-D370 PolarHBondContact NZ-OD2 2.93Å; K351-Y372 HydrophobicContact CB-CD1 4.22Å; K351-Y372 HydrophobicContact CB-CE1 3.92Å; K351-Y372 HydrophobicContact CD-CE1 4.48Å; K351-Y372 HydrophobicContact CG-CD1 4.5Å; K351-Y372 HydrophobicContact CG-CE1 3.98Å
352	Y	71.5	Confident	69.2	Low	58 Å²	58	71.3 Å²	71.3	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.2	174.6	-60.9	-88.9	0	0	0	109.3	D350 D370 V371 K373	D350-Y352 HydrophobicContact CB-CE2 3.9Å; Y352-D370 CarbonylContact O-C 3.57Å; Y352-D370 WeakPolarHBondContact O-CA 3.22Å; Y352-V371 PolarHBondContact N-O 3.36Å; Y352-V371 PolarHBondContact O-N 3.08Å; Y352-K373 HydrophobicContact CD2-CB 3.99Å; Y352-K373 HydrophobicContact CD2-CD 4.4Å; Y352-K373 HydrophobicContact CD2-CG 4.07Å; Y352-K373 HydrophobicContact CE2-CB 3.77Å; Y352-K373 HydrophobicContact CE2-CG 4.31Å
353	S	63	Low	66.9	Low	53 Å²	53	81.6 Å²	81.6	37%	0.371	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.6	163.4	42.7	0	0	0	0	107.9	E15	E15-S353 VanDerWaalsContact CD-O 3.28Å; E15-S353 PolarHBondContact OE1-OG 2.76Å
354	I	61.1	Low	64.5	Low	58 Å²	58	89.1 Å²	89.1	30%	0.297	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.4	161.7	-58.4	-174.7	0	0	0	106.6	S356 K369 V371	I354-S356 PolarHBondContact O-N 3.22Å; I354-K369 PolarHBondContact N-O 3.1Å; I354-K369 PolarHBondContact O-N 3.49Å; I354-V371 HydrophobicContact CD1-CB 4.1Å; I354-V371 HydrophobicContact CD1-CG2 3.41Å; I354-V371 VanDerWaalsContact CD1-CG2 3.41Å; I354-V371 HydrophobicContact CG1-CB 4.4Å; I354-V371 HydrophobicContact CG1-CG2 3.9Å
355	Q	53.4	Low	62.3	Low	131 Å²	131	97.8 Å²	97.8	61%	0.612	49%	0.49	S	S	*	.			trans	-74.4	102.8	164.7	-66.6	-174.1	45.4	0	0	108	E15 N357	E15-Q355 WeakPolarHBondContact OE2-CG 3.43Å; Q355-N357 PolarHBondContact O-N 3.39Å
356	S	47.5	Very low	60	Low	71 Å²	71	105.4 Å²	105.4	50%	0.497	53%	0.531	S	S	.	.			trans	-69.2	101.1	173.9	60.6	0	0	0	0	109.3	I354 K358	I354-S356 PolarHBondContact O-N 3.22Å; S356-K358 PolarHBondContact O-N 3.23Å
357	N	46.7	Very low	57.9	Low	145 Å²	145	115.1 Å²	115.1	78%	0.775	57%	0.568	S	S	*	*			trans	-73.1	39.2	171.4	-84.9	-21.8	0	0	0	112.9	Q355 Q359	Q355-N357 PolarHBondContact O-N 3.39Å; N357-Q359 PolarHBondContact O-N 3.04Å
358	K	44.4	Very low	56.4	Low	166 Å²	166	117.3 Å²	117.3	72%	0.722	58%	0.58	S	S	*	*			trans	-82.5	96.2	166.5	-84.1	-170.2	174.1	-171.8	0	109.1	S356 E360	S356-K358 PolarHBondContact O-N 3.23Å; K358-E360 PolarHBondContact O-N 3.23Å
359	Q	41.1	Very low	55.3	Low	195 Å²	195	124.6 Å²	124.6	91%	0.911	61%	0.611	S	S	*	*			trans	-60	78.8	155.8	-85.7	178.2	-15.5	0	0	109.4	N357	N357-Q359 PolarHBondContact O-N 3.04Å
360	E	42.4	Very low	54.6	Low	140 Å²	140	124.8 Å²	124.8	65%	0.654	61%	0.609	S	S	*	*			trans	-105.4	119.2	159.1	-82.4	-179.7	-175.3	0	0	107.9	K358 T362	K358-E360 PolarHBondContact O-N 3.23Å; E360-T362 PolarHBondContact O-N 2.88Å
361	N	43.6	Very low	54.4	Low	175 Å²	175	123.9 Å²	123.9	94%	0.936	61%	0.605	S	S	*	*	S	Bend	trans	-66	62.6	-178.1	-81.6	-41.1	0	0	0	112.9
362	T	48.4	Very low	54.3	Low	104 Å²	104	122.7 Å²	122.7	64%	0.638	60%	0.599	S	S	*	*	S	Bend	trans	-142.8	136.2	172.9	-2.2	0	0	0	0	108.5	E360 E364	E360-T362 PolarHBondContact O-N 2.88Å; T362-E364 PolarHBondContact O-N 2.72Å
363	K	47.5	Very low	54.9	Low	221 Å²	221	122.4 Å²	122.4	96%	0.961	60%	0.6	S	S	*	*			trans	-66.7	45.6	179.9	-68.5	178.6	174.8	175.7	0	113.2
364	E	44.7	Very low	56	Low	158 Å²	158	122.2 Å²	122.2	74%	0.738	60%	0.597	S	S	*	*			trans	-84.9	113.7	163.5	-83.5	-166.8	137.5	0	0	108	T362 N366	T362-E364 PolarHBondContact O-N 2.72Å; E364-N366 PolarHBondContact O-N 2.77Å
365	K	45.7	Very low	57.4	Low	186 Å²	186	120 Å²	120	81%	0.809	59%	0.586	S	S	*	*			trans	-35.6	124.1	171.6	-78	173.1	170.2	176.1	0	109.9	R367	K365-R367 VanDerWaalsContact C-N 3.31Å; K365-R367 PolarHBondContact O-N 2.77Å
366	N	45.5	Very low	59.3	Low	160 Å²	160	116 Å²	116	86%	0.856	57%	0.57	S	S	*	*			trans	-41	96.8	164.6	-75.7	-3.4	0	0	0	109.1	E364 S368	E364-N366 PolarHBondContact O-N 2.77Å; N366-S368 PolarHBondContact O-N 3.26Å
367	R	49.7	Very low	61.6	Low	205 Å²	205	112.7 Å²	112.7	77%	0.774	55%	0.547	S	S	*	.			trans	-89.8	92.8	170.9	-75.4	-173.2	-171.3	174.2	6.4	104.6	K365 K369	K365-R367 VanDerWaalsContact C-N 3.31Å; K365-R367 PolarHBondContact O-N 2.77Å; R367-K369 PolarHBondContact O-N 3.25Å
368	S	57.8	Low	64	Low	71 Å²	71	106 Å²	106	50%	0.497	51%	0.512	S	S	.	.			trans	-51.1	115.1	162.8	52.1	0	0	0	0	107.3	N366	N366-S368 PolarHBondContact O-N 3.26Å
369	K	65	Low	66.4	Low	156 Å²	156	99.6 Å²	99.6	68%	0.678	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.2	179.6	-157.7	-179.9	-175.2	-178.1	0	106.6	I354 R367	I354-K369 PolarHBondContact N-O 3.1Å; I354-K369 PolarHBondContact O-N 3.49Å; R367-K369 PolarHBondContact O-N 3.25Å
370	D	70.7	Confident	69	Low	53 Å²	53	91.2 Å²	91.2	28%	0.283	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122	179.3	-64	-42.7	0	0	0	109.1	K351 Y352	K351-D370 HydrophobicContact CD-CB 4.42Å; K351-D370 WeakPolarHBondContact CE-OD1 3.35Å; K351-D370 WeakPolarHBondContact CE-OD2 3.43Å; K351-D370 HydrophobicContact CG-CB 4.23Å; K351-D370 IonicContact NZ-OD1 3.67Å; K351-D370 PolarHBondContact NZ-OD1 3.47Å; K351-D370 IonicContact NZ-OD2 2.92Å; K351-D370 PolarHBondContact NZ-OD2 2.93Å; Y352-D370 CarbonylContact O-C 3.57Å; Y352-D370 WeakPolarHBondContact O-CA 3.22Å
371	V	75.3	Confident	71.6	Confident	36 Å²	36	90.6 Å²	90.6	22%	0.218	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.3	177	-179.3	0	0	0	0	109.7	Y352 I354 K373	Y352-V371 PolarHBondContact N-O 3.36Å; Y352-V371 PolarHBondContact O-N 3.08Å; I354-V371 HydrophobicContact CD1-CB 4.1Å; I354-V371 HydrophobicContact CD1-CG2 3.41Å; I354-V371 VanDerWaalsContact CD1-CG2 3.41Å; I354-V371 HydrophobicContact CG1-CB 4.4Å; I354-V371 HydrophobicContact CG1-CG2 3.9Å; V371-K373 HydrophobicContact CG1-CG 4.02Å
372	Y	75.9	Confident	74	Confident	34 Å²	34	85.5 Å²	85.5	13%	0.133	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.1	175.5	-65.8	-90	0	0	0	109.9	A270 R274 D350 K351	A270-Y372 HydrophobicContact CB-CD1 4.45Å; A270-Y372 HydrophobicContact CB-CE1 3.73Å; R274-Y372 PolarHBondContact NH2-O 3.29Å; D350-Y372 VanDerWaalsContact O-CA 3.29Å; D350-Y372 WeakPolarHBondContact O-CA 3.1Å; K351-Y372 HydrophobicContact CB-CD1 4.22Å; K351-Y372 HydrophobicContact CB-CE1 3.92Å; K351-Y372 HydrophobicContact CD-CE1 4.48Å; K351-Y372 HydrophobicContact CG-CD1 4.5Å; K351-Y372 HydrophobicContact CG-CE1 3.98Å
373	K	82.7	Confident	76.2	Confident	53 Å²	53	80.5 Å²	80.5	23%	0.23	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.7	176.8	-60	-169.4	178.4	-167.4	0	110.6	D22 C349 D350 Y352 V371	D22-K373 IonicContact OD2-NZ 2.66Å; C349-K373 CarbonylContact C-O 3.57Å; C349-K373 VanDerWaalsContact CA-O 3.31Å; C349-K373 WeakPolarHBondContact CA-O 3.45Å; C349-K373 WeakPolarHBondContact CB-O 3.22Å; D350-K373 PolarHBondContact N-O 3.2Å; D350-K373 PolarHBondContact O-N 3.01Å; Y352-K373 HydrophobicContact CD2-CB 3.99Å; Y352-K373 HydrophobicContact CD2-CD 4.4Å; Y352-K373 HydrophobicContact CD2-CG 4.07Å; Y352-K373 HydrophobicContact CE2-CB 3.77Å; Y352-K373 HydrophobicContact CE2-CG 4.31Å; V371-K373 HydrophobicContact CG1-CG 4.02Å
374	P	86.1	Confident	78.5	Confident	49 Å²	49	70.6 Å²	70.6	32%	0.318	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	152	170.8	-23	34.2	0	0	0	111.6	V376	P374-V376 PolarHBondContact O-N 3.02Å
375	V	90.3	Very high	80.9	Confident	11 Å²	11	69.9 Å²	69.9	7%	0.067	34%	0.337	C	S	.	.			trans	-66.8	133	177.1	-180	0	0	0	0	109.5	P255 E340 M343 Y348 V377	P255-V375 HydrophobicContact CG-CG1 4.36Å; E340-V375 WeakPolarHBondContact CG-O 3.38Å; M343-V375 HydrophobicContact CB-CB 4.47Å; M343-V375 HydrophobicContact CB-CG2 4.42Å; M343-V375 HydrophobicContact CE-CG2 4.24Å; Y348-V375 HydrophobicContact CD1-CG2 3.3Å; Y348-V375 HydrophobicContact CE1-CG2 3.53Å; V375-V377 HydrophobicContact CG1-CG2 4.04Å
376	V	94.1	Very high	83.2	Confident	47 Å²	47	61 Å²	61	29%	0.285	30%	0.298	S	S	.	.			trans	-110	125.1	168.7	-174.3	0	0	0	0	107.6	P374 R379 L398	P374-V376 PolarHBondContact O-N 3.02Å; V376-R379 HydrophobicContact CG1-CG 4.18Å; V376-L398 HydrophobicContact CB-CD1 4.2Å; V376-L398 HydrophobicContact CG1-CD1 3.83Å
377	V	96.2	Very high	85.5	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.012	27%	0.265	C	S	.	.			trans	-99.4	-37.9	-179.3	-178.4	0	0	0	0	110.5	P255 C336 E340 V375 N397 L398 P399	P255-V377 HydrophobicContact CB-CG1 4.34Å; P255-V377 HydrophobicContact CB-CG2 3.71Å; P255-V377 HydrophobicContact CG-CG2 3.73Å; C336-V377 HydrophobicContact CB-CB 3.98Å; C336-V377 HydrophobicContact CB-CG1 3.73Å; C336-V377 VanDerWaalsContact SG-CG1 3.57Å; E340-V377 HydrophobicContact CG-CB 3.94Å; E340-V377 HydrophobicContact CG-CG2 3.6Å; E340-V377 PolarHBondContact OE1-N 3.44Å; V375-V377 HydrophobicContact CG1-CG2 4.04Å; V377-N397 CarbonylContact O-C 3.36Å; V377-N397 WeakPolarHBondContact O-CA 3.44Å; V377-L398 PolarHBondContact O-N 2.98Å; V377-P399 HydrophobicContact CG1-CG 4.36Å; V377-P399 HydrophobicContact CG2-CG 4.25Å
378	T	96.5	Very high	87.7	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.025	23%	0.228	C	C	.	.			trans	-145.6	157.6	178.7	-168.2	0	0	0	0	111.9	Y333 C336 I337 E340 P380 I383 Y395 W396	Y333-T378 HydrophobicContact CD1-CG2 4.17Å; C336-T378 HydrophobicContact CB-CG2 3.32Å; I337-T378 HydrophobicContact CD1-CG2 4.29Å; E340-T378 PolarHBondContact OE1-N 3.25Å; T378-P380 HydrophobicContact CG2-CG 4.19Å; T378-I383 WeakPolarHBondContact OG1-CD1 3.47Å; T378-Y395 WeakPolarHBondContact CA-O 3.46Å; T378-Y395 PolarHBondContact OG1-O 3.47Å; T378-W396 WeakPolarHBondContact CB-O 3.46Å; T378-W396 PolarHBondContact OG1-O 2.89Å; T378-W396 VanDerWaalsContact OG1-O 3.05Å
379	R	96	Very high	89.5	Confident	31 Å²	31	42.3 Å²	42.3	12%	0.117	21%	0.205	C	C	.	.			trans	-123.2	92.8	169.7	-63.2	-169.6	176.7	-171.5	-3.5	110.4	F18 V376 L381 F382 Y395 L398	F18-R379 VanDerWaalsContact CZ-NH2 3.28Å; V376-R379 HydrophobicContact CG1-CG 4.18Å; R379-L381 VanDerWaalsContact C-N 3.31Å; R379-L381 PolarHBondContact O-N 2.83Å; R379-F382 HydrophobicContact CB-CB 4.42Å; R379-F382 HydrophobicContact CB-CD2 3.79Å; R379-F382 HydrophobicContact CG-CD2 4.44Å; R379-F382 PolarHBondContact O-N 3.04Å; R379-Y395 HydrophobicContact CB-CD1 4.01Å; R379-Y395 HydrophobicContact CB-CG 4.22Å; R379-Y395 HydrophobicContact CG-CD1 3.9Å; R379-Y395 HydrophobicContact CG-CE1 4.39Å; R379-Y395 PolarHBondContact N-O 3.26Å; R379-L398 HydrophobicContact CG-CD1 4.41Å
380	P	96	Very high	90.7	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-57.2	-38.1	-172.1	-29.5	38.4	0	0	0	114.5	Y298 Y333 T378 F382 I383 E384	Y298-P380 HydrophobicContact CE2-CG 4.48Å; Y333-P380 HydrophobicContact CD1-CB 4.14Å; Y333-P380 HydrophobicContact CD1-CG 3.89Å; Y333-P380 HydrophobicContact CD2-CB 3.82Å; Y333-P380 HydrophobicContact CD2-CG 4.1Å; Y333-P380 HydrophobicContact CE1-CB 4.09Å; Y333-P380 HydrophobicContact CE1-CG 4.27Å; Y333-P380 HydrophobicContact CE2-CB 3.77Å; Y333-P380 HydrophobicContact CE2-CG 4.46Å; Y333-P380 HydrophobicContact CG-CB 4.04Å; Y333-P380 HydrophobicContact CG-CG 3.82Å; T378-P380 HydrophobicContact CG2-CG 4.19Å; P380-F382 PolarHBondContact O-N 3.38Å; P380-I383 PolarHBondContact O-N 3.46Å; P380-I383 VanDerWaalsContact O-N 3.08Å; P380-E384 PolarHBondContact O-N 3.25Å
381	L	95.4	Very high	91.8	Very high	128 Å²	128	33 Å²	33	67%	0.67	16%	0.163	S	C	*	.	H	α-helix	trans	-62.9	-40.7	-178.7	-66.9	176.6	0	0	0	112.6	R379 I383 F385	R379-L381 VanDerWaalsContact C-N 3.31Å; R379-L381 PolarHBondContact O-N 2.83Å; L381-I383 PolarHBondContact O-N 3.47Å; L381-F385 PolarHBondContact O-N 3.18Å
382	F	94.6	Very high	92.7	Very high	67 Å²	67	31.5 Å²	31.5	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-74.3	-7.7	177.3	-67.8	-89.7	0	0	0	113.1	R379 P380 P386 Y395	R379-F382 HydrophobicContact CB-CB 4.42Å; R379-F382 HydrophobicContact CB-CD2 3.79Å; R379-F382 HydrophobicContact CG-CD2 4.44Å; R379-F382 PolarHBondContact O-N 3.04Å; P380-F382 PolarHBondContact O-N 3.38Å; F382-P386 VanDerWaalsContact O-CA 3.31Å; F382-P386 WeakPolarHBondContact O-CA 3.12Å; F382-P386 WeakPolarHBondContact O-CB 3.35Å; F382-Y395 HydrophobicContact CB-CD2 3.44Å; F382-Y395 VanDerWaalsContact CB-CD2 3.44Å; F382-Y395 HydrophobicContact CB-CE2 3.92Å; F382-Y395 HydrophobicContact CB-CG 3.93Å; F382-Y395 HydrophobicContact CD1-CD2 4.36Å; F382-Y395 AromaticContact CD1-CE2 3.96Å; F382-Y395 HydrophobicContact CD1-CE2 3.96Å; F382-Y395 AromaticContact CG-CD2 3.99Å; F382-Y395 HydrophobicContact CG-CD2 3.99Å; F382-Y395 AromaticContact CG-CE2 3.97Å; F382-Y395 HydrophobicContact CG-CE2 3.97Å
383	I	95.4	Very high	93.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-99	-40.3	175.2	-60.6	162.3	0	0	0	110.8	Y333 T378 P380 L381 P386 V392 Y395 W396	Y333-I383 HydrophobicContact CE1-CD1 3.59Å; Y333-I383 WeakPolarHBondContact OH-CB 3.41Å; Y333-I383 WeakPolarHBondContact OH-CG2 3.31Å; T378-I383 WeakPolarHBondContact OG1-CD1 3.47Å; P380-I383 PolarHBondContact O-N 3.46Å; P380-I383 VanDerWaalsContact O-N 3.08Å; L381-I383 PolarHBondContact O-N 3.47Å; I383-P386 WeakPolarHBondContact O-CD 3.34Å; I383-V392 HydrophobicContact CG2-CG1 4.11Å; I383-Y395 WeakPolarHBondContact CD1-O 3.38Å; I383-W396 HydrophobicContact CD1-CE3 4.24Å; I383-W396 HydrophobicContact CG2-CE3 4.09Å; I383-W396 HydrophobicContact CG2-CZ3 4.26Å
384	E	95.1	Very high	94	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-76.5	-31.1	176.7	-63.2	-55.4	133.3	0	0	112.3	Q326 R329 F330 Y333 P380 P386	Q326-E384 PolarHBondContact NE2-OE2 3.03Å; Q326-E384 VanDerWaalsContact NE2-OE2 3.17Å; R329-E384 IonicContact CZ-OE1 2.76Å; R329-E384 IonicContact CZ-OE2 3.66Å; R329-E384 IonicContact NE-OE1 2.67Å; R329-E384 PolarHBondContact NE-OE1 3.47Å; R329-E384 IonicContact NE-OE2 3.65Å; R329-E384 PolarHBondContact NE-OE2 3.27Å; R329-E384 IonicContact NH2-OE1 2.82Å; R329-E384 IonicContact NH2-OE2 3.45Å; R329-E384 PolarHBondContact NH2-OE2 2.93Å; F330-E384 HydrophobicContact CE2-CG 4.3Å; Y333-E384 HydrophobicContact CE2-CG 4.29Å; Y333-E384 WeakPolarHBondContact CE2-OE1 3.47Å; Y333-E384 PolarHBondContact OH-OE1 3.29Å; P380-E384 PolarHBondContact O-N 3.25Å; E384-P386 VanDerWaalsContact C-CD 3.4Å; E384-P386 WeakPolarHBondContact O-CD 3.46Å
385	F	94.6	Very high	94.5	Very high	143 Å²	143	27.4 Å²	27.4	63%	0.627	13%	0.134	S	C	*	.	S	Bend	trans	-125.4	61.8	176.4	-54.4	-74.7	0	0	0	111.2	L381	L381-F385 PolarHBondContact O-N 3.18Å
386	P	95.4	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.			trans	-73.6	143.6	-173.9	30.9	-33.7	0	0	0	111.3	F382 I383 E384 S388 V392 S494 A497 I498 L501	F382-P386 VanDerWaalsContact O-CA 3.31Å; F382-P386 WeakPolarHBondContact O-CA 3.12Å; F382-P386 WeakPolarHBondContact O-CB 3.35Å; I383-P386 WeakPolarHBondContact O-CD 3.34Å; E384-P386 VanDerWaalsContact C-CD 3.4Å; E384-P386 WeakPolarHBondContact O-CD 3.46Å; P386-S388 VanDerWaalsContact C-N 3.33Å; P386-V392 HydrophobicContact CB-CG2 3.45Å; P386-V392 VanDerWaalsContact CB-CG2 3.45Å; P386-V392 HydrophobicContact CG-CG2 3.8Å; P386-S494 WeakPolarHBondContact O-CA 3.36Å; P386-S494 WeakPolarHBondContact O-CB 3.41Å; P386-S494 PolarHBondContact O-OG 2.87Å; P386-A497 HydrophobicContact CG-CB 3.89Å; P386-I498 HydrophobicContact CG-CG1 4.34Å; P386-L501 HydrophobicContact CG-CD1 4.43Å
387	R	93.5	Very high	94.7	Very high	42 Å²	42	29.3 Å²	29.3	16%	0.158	14%	0.137	C	C	.	.	S	Bend	trans	-68.1	-37.9	164.5	-175	-176.6	171.6	80.9	0.2	110.9	E391 R456 C466 A468 N490	R387-E391 VanDerWaalsContact CB-CD 3.48Å; R387-E391 WeakPolarHBondContact CB-OE1 3.25Å; R387-E391 WeakPolarHBondContact CB-OE2 3.47Å; R387-E391 PolarHBondContact N-OE2 3.39Å; R387-R456 PolarHBondContact O-NH1 3.27Å; R387-C466 PolarHBondContact NH2-O 2.9Å; R387-A468 PolarHBondContact NE-O 3.34Å; R387-A468 VanDerWaalsContact NE-O 3.07Å; R387-A468 PolarHBondContact NH2-O 2.8Å; R387-N490 VanDerWaalsContact CZ-OD1 3.3Å; R387-N490 PolarHBondContact NH1-ND2 3.01Å; R387-N490 VanDerWaalsContact NH1-ND2 3.15Å; R387-N490 PolarHBondContact NH1-OD1 3.48Å; R387-N490 PolarHBondContact NH2-ND2 3.08Å; R387-N490 PolarHBondContact NH2-OD1 3.14Å
388	S	95.3	Very high	94.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-151.8	163	-178.7	64.3	0	0	0	0	112	P386 V390 E391 V392 E452 S469	P386-S388 VanDerWaalsContact C-N 3.33Å; S388-V390 PolarHBondContact O-N 2.84Å; S388-V390 PolarHBondContact OG-N 3.27Å; S388-E391 WeakPolarHBondContact O-CB 3.46Å; S388-E391 PolarHBondContact O-N 3.29Å; S388-E391 VanDerWaalsContact O-N 3.14Å; S388-E391 PolarHBondContact OG-N 2.91Å; S388-V392 PolarHBondContact O-N 3.36Å; S388-E452 WeakPolarHBondContact CA-OE1 3.33Å; S388-E452 VanDerWaalsContact CB-OE1 3.23Å; S388-E452 WeakPolarHBondContact CB-OE1 3.27Å; S388-S469 WeakPolarHBondContact CB-O 3.36Å; S388-S469 PolarHBondContact OG-O 3.19Å
389	L	94.6	Very high	94.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-24.3	171.7	-70	174.3	0	0	0	112.5	E391 V392 V393 Y448 A449 E452 A497 H500 L501	L389-E391 VanDerWaalsContact C-N 3.33Å; L389-V392 HydrophobicContact CD2-CG2 4.47Å; L389-V392 WeakPolarHBondContact O-CB 3.4Å; L389-V392 PolarHBondContact O-N 2.73Å; L389-V393 WeakPolarHBondContact O-CG2 3.43Å; L389-V393 PolarHBondContact O-N 3.35Å; L389-Y448 HydrophobicContact CD1-CD2 4.36Å; L389-A449 HydrophobicContact CB-CB 3.91Å; L389-E452 WeakPolarHBondContact CB-OE2 3.32Å; L389-E452 PolarHBondContact N-OE2 3.47Å; L389-A497 HydrophobicContact CD2-CB 4.05Å; L389-A497 HydrophobicContact CG-CB 4.06Å; L389-H500 HydrophobicContact CD1-CB 4.11Å; L389-H500 HydrophobicContact CD2-CB 4.23Å; L389-L501 HydrophobicContact CD2-CD2 4.05Å; L389-L501 HydrophobicContact CD2-CG 4.1Å
390	V	92	Very high	94.5	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-40.9	174.6	-161.3	0	0	0	0	110.4	S388 V392 V393 I394 A449 R470	S388-V390 PolarHBondContact O-N 2.84Å; S388-V390 PolarHBondContact OG-N 3.27Å; V390-V392 VanDerWaalsContact C-N 3.31Å; V390-V392 PolarHBondContact O-N 2.88Å; V390-V393 PolarHBondContact O-N 3.45Å; V390-I394 WeakPolarHBondContact O-CG1 3.41Å; V390-I394 PolarHBondContact O-N 3.03Å; V390-A449 HydrophobicContact CG2-CB 4.31Å; V390-R470 PolarHBondContact O-NH2 2.77Å
391	E	93.4	Very high	94.4	Very high	7 Å²	7	29 Å²	29	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-41.1	172.7	-78	-176.7	178.3	0	0	111.8	R387 S388 L389 V393 I394 Y395 R470	R387-E391 VanDerWaalsContact CB-CD 3.48Å; R387-E391 WeakPolarHBondContact CB-OE1 3.25Å; R387-E391 WeakPolarHBondContact CB-OE2 3.47Å; R387-E391 PolarHBondContact N-OE2 3.39Å; S388-E391 WeakPolarHBondContact O-CB 3.46Å; S388-E391 PolarHBondContact O-N 3.29Å; S388-E391 VanDerWaalsContact O-N 3.14Å; S388-E391 PolarHBondContact OG-N 2.91Å; L389-E391 VanDerWaalsContact C-N 3.33Å; E391-V393 PolarHBondContact O-N 3.02Å; E391-I394 PolarHBondContact O-N 2.95Å; E391-Y395 HydrophobicContact CB-CD2 3.97Å; E391-Y395 HydrophobicContact CB-CE2 4.11Å; E391-Y395 HydrophobicContact CG-CD2 4.41Å; E391-Y395 HydrophobicContact CG-CE2 4.04Å; E391-Y395 WeakPolarHBondContact O-CB 3.24Å; E391-Y395 WeakPolarHBondContact O-CD2 3.36Å; E391-Y395 PolarHBondContact O-N 3.03Å; E391-R470 VanDerWaalsContact CG-NH1 3.34Å
392	V	94.4	Very high	94.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-59.4	-48.2	178.3	-178.3	0	0	0	0	110.8	I383 P386 S388 L389 V390 I394 Y395 W396 I445 L501	I383-V392 HydrophobicContact CG2-CG1 4.11Å; P386-V392 HydrophobicContact CB-CG2 3.45Å; P386-V392 VanDerWaalsContact CB-CG2 3.45Å; P386-V392 HydrophobicContact CG-CG2 3.8Å; S388-V392 PolarHBondContact O-N 3.36Å; L389-V392 HydrophobicContact CD2-CG2 4.47Å; L389-V392 WeakPolarHBondContact O-CB 3.4Å; L389-V392 PolarHBondContact O-N 2.73Å; V390-V392 VanDerWaalsContact C-N 3.31Å; V390-V392 PolarHBondContact O-N 2.88Å; V392-I394 VanDerWaalsContact C-N 3.28Å; V392-I394 PolarHBondContact O-N 3.38Å; V392-Y395 PolarHBondContact O-N 2.89Å; V392-W396 WeakPolarHBondContact O-CA 3.45Å; V392-W396 WeakPolarHBondContact O-CB 3.11Å; V392-W396 PolarHBondContact O-N 2.91Å; V392-I445 HydrophobicContact CG1-CD1 4.31Å; V392-L501 HydrophobicContact CG1-CD1 4.17Å; V392-L501 HydrophobicContact CG1-CD2 3.77Å; V392-L501 HydrophobicContact CG2-CD1 3.84Å; V392-L501 HydrophobicContact CG2-CD2 4.44Å
393	V	92.9	Very high	94.4	Very high	31 Å²	31	22.3 Å²	22.3	19%	0.188	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-37.1	-179.6	173.6	0	0	0	0	112	L389 V390 E391 Y425 I445 A449	L389-V393 WeakPolarHBondContact O-CG2 3.43Å; L389-V393 PolarHBondContact O-N 3.35Å; V390-V393 PolarHBondContact O-N 3.45Å; E391-V393 PolarHBondContact O-N 3.02Å; V393-Y425 WeakPolarHBondContact CG1-OH 3.35Å; V393-I445 HydrophobicContact CG2-CD1 3.92Å; V393-I445 HydrophobicContact CG2-CG1 3.91Å; V393-I445 HydrophobicContact CG2-CG2 4.47Å; V393-A449 HydrophobicContact CG2-CB 4.44Å
394	I	92.8	Very high	94.4	Very high	8 Å²	8	23 Å²	23	4%	0.041	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-56.4	176.9	-65.5	-151.4	0	0	0	111.2	V390 E391 V392 W396 L398 H401 R470	V390-I394 WeakPolarHBondContact O-CG1 3.41Å; V390-I394 PolarHBondContact O-N 3.03Å; E391-I394 PolarHBondContact O-N 2.95Å; V392-I394 VanDerWaalsContact C-N 3.28Å; V392-I394 PolarHBondContact O-N 3.38Å; I394-W396 VanDerWaalsContact C-N 3.29Å; I394-W396 PolarHBondContact O-N 3.13Å; I394-L398 HydrophobicContact CG2-CD2 3.6Å; I394-H401 VanDerWaalsContact CD1-CE1 3.46Å; I394-H401 WeakPolarHBondContact CD1-CE1 3.09Å; I394-R470 VanDerWaalsContact CG1-NH2 3.32Å
395	Y	95.5	Very high	94.2	Very high	11 Å²	11	23 Å²	23	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-78.2	-15.2	-169.9	-66.4	-56.8	0	0	0	113.4	T378 R379 F382 I383 E391 V392 N397 L398	T378-Y395 WeakPolarHBondContact CA-O 3.46Å; T378-Y395 PolarHBondContact OG1-O 3.47Å; R379-Y395 HydrophobicContact CB-CD1 4.01Å; R379-Y395 HydrophobicContact CB-CG 4.22Å; R379-Y395 HydrophobicContact CG-CD1 3.9Å; R379-Y395 HydrophobicContact CG-CE1 4.39Å; R379-Y395 PolarHBondContact N-O 3.26Å; F382-Y395 HydrophobicContact CB-CD2 3.44Å; F382-Y395 VanDerWaalsContact CB-CD2 3.44Å; F382-Y395 HydrophobicContact CB-CE2 3.92Å; F382-Y395 HydrophobicContact CB-CG 3.93Å; F382-Y395 HydrophobicContact CD1-CD2 4.36Å; F382-Y395 AromaticContact CD1-CE2 3.96Å; F382-Y395 HydrophobicContact CD1-CE2 3.96Å; F382-Y395 AromaticContact CG-CD2 3.99Å; F382-Y395 HydrophobicContact CG-CD2 3.99Å; F382-Y395 AromaticContact CG-CE2 3.97Å; F382-Y395 HydrophobicContact CG-CE2 3.97Å; I383-Y395 WeakPolarHBondContact CD1-O 3.38Å; E391-Y395 HydrophobicContact CB-CD2 3.97Å; E391-Y395 HydrophobicContact CB-CE2 4.11Å; E391-Y395 HydrophobicContact CG-CD2 4.41Å; E391-Y395 HydrophobicContact CG-CE2 4.04Å; E391-Y395 WeakPolarHBondContact O-CB 3.24Å; E391-Y395 WeakPolarHBondContact O-CD2 3.36Å; E391-Y395 PolarHBondContact O-N 3.03Å; V392-Y395 PolarHBondContact O-N 2.89Å; Y395-N397 VanDerWaalsContact C-N 3.33Å; Y395-N397 PolarHBondContact O-N 2.86Å; Y395-L398 HydrophobicContact CD1-CD1 4.36Å; Y395-L398 HydrophobicContact CD1-CD2 3.91Å; Y395-L398 HydrophobicContact CD1-CG 4.33Å; Y395-L398 HydrophobicContact CE1-CD2 4.24Å
396	W	94.6	Very high	94.1	Very high	65 Å²	65	19.2 Å²	19.2	25%	0.246	9%	0.094	C	C	.	.	H	α-helix	trans	-50.9	-54.7	172.8	-176.5	-101	0	0	0	110.7	F328 R329 H332 T378 I383 V392 I394	F328-W396 HydrophobicContact CD1-CH2 4.03Å; F328-W396 HydrophobicContact CD1-CZ2 4.39Å; F328-W396 AromaticContact CE1-CH2 3.76Å; F328-W396 HydrophobicContact CE1-CH2 3.76Å; F328-W396 AromaticContact CE1-CZ2 3.68Å; F328-W396 HydrophobicContact CE1-CZ2 3.68Å; F328-W396 HydrophobicContact CZ-CZ2 4.35Å; R329-W396 HydrophobicContact CB-CH2 4.17Å; R329-W396 HydrophobicContact CB-CZ3 4.01Å; R329-W396 HydrophobicContact CG-CH2 3.79Å; R329-W396 HydrophobicContact CG-CZ3 3.57Å; H332-W396 HydrophobicContact CB-CH2 3.98Å; H332-W396 HydrophobicContact CB-CZ2 3.86Å; H332-W396 AromaticContact CD2-CE2 3.74Å; H332-W396 AromaticContact CD2-CZ2 3.69Å; H332-W396 AromaticContact CD2-NE1 3.65Å; H332-W396 AromaticContact CE1-CE2 3.98Å; H332-W396 AromaticContact CE1-NE1 3.77Å; H332-W396 PolarHBondContact CE1-O 3.07Å; H332-W396 AromaticContact CG-CE2 3.84Å; H332-W396 AromaticContact CG-CZ2 3.61Å; H332-W396 AromaticContact ND1-CE2 3.98Å; H332-W396 AromaticContact NE2-CD1 3.94Å; H332-W396 AromaticContact NE2-CE2 3.85Å; H332-W396 AromaticContact NE2-NE1 3.39Å; H332-W396 PolarHBondContact NE2-NE1 2.97Å; T378-W396 WeakPolarHBondContact CB-O 3.46Å; T378-W396 PolarHBondContact OG1-O 2.89Å; T378-W396 VanDerWaalsContact OG1-O 3.05Å; I383-W396 HydrophobicContact CD1-CE3 4.24Å; I383-W396 HydrophobicContact CG2-CE3 4.09Å; I383-W396 HydrophobicContact CG2-CZ3 4.26Å; V392-W396 WeakPolarHBondContact O-CA 3.45Å; V392-W396 WeakPolarHBondContact O-CB 3.11Å; V392-W396 PolarHBondContact O-N 2.91Å; I394-W396 VanDerWaalsContact C-N 3.29Å; I394-W396 PolarHBondContact O-N 3.13Å
397	N	94.9	Very high	94	Very high	33 Å²	33	19.9 Å²	19.9	18%	0.176	10%	0.096	C	C	.	.			trans	-150.9	91.9	178	-171.3	-43	0	0	0	109.6	V377 Y395 P399 M400 H401	V377-N397 CarbonylContact O-C 3.36Å; V377-N397 WeakPolarHBondContact O-CA 3.44Å; Y395-N397 VanDerWaalsContact C-N 3.33Å; Y395-N397 PolarHBondContact O-N 2.86Å; N397-P399 WeakPolarHBondContact OD1-CD 3.37Å; N397-M400 HydrophobicContact CB-CB 3.91Å; N397-M400 VanDerWaalsContact CG-CB 3.47Å; N397-M400 PolarHBondContact O-N 3.43Å; N397-M400 VanDerWaalsContact OD1-CB 3.23Å; N397-M400 WeakPolarHBondContact OD1-CB 3.15Å; N397-M400 PolarHBondContact OD1-N 2.95Å; N397-H401 WeakPolarHBondContact O-CB 3.45Å; N397-H401 PolarHBondContact O-N 3.34Å
398	L	95.3	Very high	94	Very high	12 Å²	12	18.7 Å²	18.7	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-45.3	-175.4	-75.1	164.3	0	0	0	112.6	V376 V377 R379 I394 Y395 H401 T402	V376-L398 HydrophobicContact CB-CD1 4.2Å; V376-L398 HydrophobicContact CG1-CD1 3.83Å; V377-L398 PolarHBondContact O-N 2.98Å; R379-L398 HydrophobicContact CG-CD1 4.41Å; I394-L398 HydrophobicContact CG2-CD2 3.6Å; Y395-L398 HydrophobicContact CD1-CD1 4.36Å; Y395-L398 HydrophobicContact CD1-CD2 3.91Å; Y395-L398 HydrophobicContact CD1-CG 4.33Å; Y395-L398 HydrophobicContact CE1-CD2 4.24Å; L398-H401 PolarHBondContact O-N 3.15Å; L398-T402 WeakPolarHBondContact O-CB 3.42Å; L398-T402 PolarHBondContact O-N 2.97Å; L398-T402 PolarHBondContact O-OG1 2.89Å
399	P	95	Very high	93.9	Very high	11 Å²	11	18.8 Å²	18.8	7%	0.071	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-39.7	178	-23.7	34.3	0	0	0	113.6	P255 W256 V377 N397 W403	P255-P399 HydrophobicContact CB-CB 3.94Å; P255-P399 HydrophobicContact CB-CG 3.65Å; W256-P399 HydrophobicContact CE3-CB 4.26Å; W256-P399 VanDerWaalsContact CE3-O 3.27Å; W256-P399 VanDerWaalsContact O-CB 3.24Å; W256-P399 WeakPolarHBondContact O-CB 3.32Å; V377-P399 HydrophobicContact CG1-CG 4.36Å; V377-P399 HydrophobicContact CG2-CG 4.25Å; N397-P399 WeakPolarHBondContact OD1-CD 3.37Å; P399-W403 VanDerWaalsContact O-CB 3.31Å; P399-W403 WeakPolarHBondContact O-CB 3.36Å; P399-W403 PolarHBondContact O-N 3.44Å
400	M	94	Very high	93.7	Very high	15 Å²	15	23.4 Å²	23.4	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-44.7	174.9	-179.5	72.4	171.5	0	0	111.3	M206 N397 T402 W403 L404 L431	M206-M400 HydrophobicContact CE-CB 4.26Å; M206-M400 HydrophobicContact CE-CG 4.37Å; M206-M400 HydrophobicContact CE-SD 3.26Å; M206-M400 WeakPolarHBondContact CE-SD 3.39Å; M206-M400 HydrophobicContact SD-SD 3.45Å; N397-M400 HydrophobicContact CB-CB 3.91Å; N397-M400 VanDerWaalsContact CG-CB 3.47Å; N397-M400 PolarHBondContact O-N 3.43Å; N397-M400 VanDerWaalsContact OD1-CB 3.23Å; N397-M400 WeakPolarHBondContact OD1-CB 3.15Å; N397-M400 PolarHBondContact OD1-N 2.95Å; M400-T402 PolarHBondContact O-N 3.44Å; M400-W403 PolarHBondContact O-N 2.67Å; M400-L404 HydrophobicContact CE-CD1 4.04Å; M400-L404 HydrophobicContact CE-CD2 4.4Å; M400-L404 HydrophobicContact CE-CG 4.23Å; M400-L404 HydrophobicContact CG-CD1 4.05Å; M400-L404 HydrophobicContact CG-CG 4.46Å; M400-L404 WeakPolarHBondContact O-CB 3.42Å; M400-L404 WeakPolarHBondContact O-CG 3.29Å; M400-L404 PolarHBondContact O-N 3.43Å; M400-L431 HydrophobicContact CE-CB 4.25Å; M400-L431 HydrophobicContact CE-CD1 3.47Å; M400-L431 VanDerWaalsContact CE-CD1 3.47Å; M400-L431 HydrophobicContact SD-CD1 4.27Å
401	H	93.7	Very high	93.7	Very high	13 Å²	13	25.8 Å²	25.8	6%	0.06	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-48.2	176.1	177.4	-97.1	0	0	0	111.1	I394 N397 L398 W403 L404 K405	I394-H401 VanDerWaalsContact CD1-CE1 3.46Å; I394-H401 WeakPolarHBondContact CD1-CE1 3.09Å; N397-H401 WeakPolarHBondContact O-CB 3.45Å; N397-H401 PolarHBondContact O-N 3.34Å; L398-H401 PolarHBondContact O-N 3.15Å; H401-W403 VanDerWaalsContact C-N 3.35Å; H401-W403 PolarHBondContact O-N 2.86Å; H401-L404 PolarHBondContact O-N 2.9Å; H401-K405 VanDerWaalsContact O-CB 3.3Å; H401-K405 WeakPolarHBondContact O-CB 3.26Å; H401-K405 PolarHBondContact O-N 2.52Å
402	T	93.7	Very high	93.7	Very high	49 Å²	49	28.1 Å²	28.1	30%	0.301	14%	0.142	S	C	.	.	H	α-helix	trans	-59.7	-44.7	176.7	-56.8	0	0	0	0	111.5	W256 L398 M400 K405 Q406	W256-T402 HydrophobicContact CZ3-CG2 4.17Å; L398-T402 WeakPolarHBondContact O-CB 3.42Å; L398-T402 PolarHBondContact O-N 2.97Å; L398-T402 PolarHBondContact O-OG1 2.89Å; M400-T402 PolarHBondContact O-N 3.44Å; T402-K405 PolarHBondContact O-N 3.27Å; T402-Q406 VanDerWaalsContact O-CB 3.29Å; T402-Q406 WeakPolarHBondContact O-CB 3.32Å; T402-Q406 PolarHBondContact O-N 3Å
403	W	95.9	Very high	93.4	Very high	5 Å²	5	31 Å²	31	2%	0.019	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-49.2	177.4	-178.8	85	0	0	0	112.1	M206 I209 S210 W256 P399 M400 H401 K405 Q406 Y407 V408 L431	M206-W403 HydrophobicContact CB-CD2 4.18Å; M206-W403 HydrophobicContact CB-CG 4.34Å; M206-W403 HydrophobicContact CB-CZ2 4.38Å; M206-W403 HydrophobicContact CE-CB 3.61Å; M206-W403 HydrophobicContact CE-CD2 3.84Å; M206-W403 HydrophobicContact CE-CE3 4.14Å; M206-W403 HydrophobicContact CE-CG 3.58Å; M206-W403 HydrophobicContact CG-CD2 3.99Å; M206-W403 HydrophobicContact CG-CE3 4.23Å; M206-W403 HydrophobicContact CG-CG 4.46Å; M206-W403 HydrophobicContact CG-CZ2 4.32Å; M206-W403 PolarHBondContact O-NE1 2.91Å; I209-W403 HydrophobicContact CB-CZ2 3.92Å; I209-W403 HydrophobicContact CD1-CH2 4.1Å; I209-W403 HydrophobicContact CD1-CZ2 3.83Å; I209-W403 HydrophobicContact CG1-CZ2 4.47Å; I209-W403 HydrophobicContact CG2-CZ2 3.81Å; S210-W403 PolarHBondContact OG-NE1 2.69Å; W256-W403 AromaticContact CD1-CD1 3.77Å; W256-W403 HydrophobicContact CD2-CB 3.88Å; W256-W403 AromaticContact CD2-CD1 3.73Å; W256-W403 HydrophobicContact CD2-CG 4.13Å; W256-W403 AromaticContact CE2-CD1 3.44Å; W256-W403 VanDerWaalsContact CE2-CD1 3.44Å; W256-W403 HydrophobicContact CE3-CB 3.79Å; W256-W403 HydrophobicContact CG-CB 4.36Å; W256-W403 AromaticContact CG-CD1 3.96Å; W256-W403 HydrophobicContact CG-CG 4.35Å; W256-W403 AromaticContact CZ2-CD1 3.88Å; W256-W403 HydrophobicContact CZ3-CB 4.11Å; W256-W403 AromaticContact NE1-CD1 3.44Å; P399-W403 VanDerWaalsContact O-CB 3.31Å; P399-W403 WeakPolarHBondContact O-CB 3.36Å; P399-W403 PolarHBondContact O-N 3.44Å; M400-W403 PolarHBondContact O-N 2.67Å; H401-W403 VanDerWaalsContact C-N 3.35Å; H401-W403 PolarHBondContact O-N 2.86Å; W403-K405 VanDerWaalsContact C-N 3.3Å; W403-K405 PolarHBondContact O-N 3.46Å; W403-Q406 PolarHBondContact O-N 3.27Å; W403-Y407 HydrophobicContact CB-CD2 4.46Å; W403-Y407 AromaticContact CD1-CD2 3.24Å; W403-Y407 AromaticContact CD1-CE2 3.65Å; W403-Y407 HydrophobicContact CD2-CD2 4.37Å; W403-Y407 AromaticContact CG-CD2 3.85Å; W403-Y407 HydrophobicContact CG-CD2 3.85Å; W403-Y407 HydrophobicContact CG-CE2 4.49Å; W403-Y407 AromaticContact NE1-CD2 3.44Å; W403-Y407 WeakPolarHBondContact O-CB 3.08Å; W403-Y407 WeakPolarHBondContact O-CD2 3.43Å; W403-Y407 PolarHBondContact O-N 3.32Å; W403-V408 HydrophobicContact CH2-CG2 4Å; W403-V408 HydrophobicContact CZ3-CG2 3.8Å; W403-L431 HydrophobicContact CE3-CD1 4.13Å; W403-L431 HydrophobicContact CH2-CD1 3.87Å; W403-L431 HydrophobicContact CZ3-CD1 3.44Å; W403-L431 VanDerWaalsContact CZ3-CD1 3.44Å
404	L	95.6	Very high	93.4	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.073	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-44.7	177.3	-79.4	171.3	0	0	0	110.7	M400 H401 V408 Y409 T424 A427	M400-L404 HydrophobicContact CE-CD1 4.04Å; M400-L404 HydrophobicContact CE-CD2 4.4Å; M400-L404 HydrophobicContact CE-CG 4.23Å; M400-L404 HydrophobicContact CG-CD1 4.05Å; M400-L404 HydrophobicContact CG-CG 4.46Å; M400-L404 WeakPolarHBondContact O-CB 3.42Å; M400-L404 WeakPolarHBondContact O-CG 3.29Å; M400-L404 PolarHBondContact O-N 3.43Å; H401-L404 PolarHBondContact O-N 2.9Å; L404-V408 HydrophobicContact CD2-CG2 4.22Å; L404-V408 CarbonylContact O-C 3.55Å; L404-V408 WeakPolarHBondContact O-CA 3.16Å; L404-V408 VanDerWaalsContact O-CB 3.24Å; L404-V408 WeakPolarHBondContact O-CB 3.4Å; L404-V408 PolarHBondContact O-N 3.03Å; L404-Y409 PolarHBondContact O-N 2.93Å; L404-T424 HydrophobicContact CB-CG2 3.92Å; L404-T424 HydrophobicContact CD1-CG2 4.32Å; L404-T424 HydrophobicContact CD2-CG2 4.16Å; L404-T424 HydrophobicContact CG-CG2 4.36Å; L404-A427 HydrophobicContact CD2-CB 4.33Å
405	K	91.7	Very high	93.4	Very high	14 Å²	14	42.8 Å²	42.8	6%	0.061	21%	0.209	C	C	.	.	I	π-helix	trans	-61	-50.2	176.5	176.5	173.2	166.6	171.4	0	111.9	Y9 D11 H401 T402 W403 K410	Y9-K405 HydrophobicContact CD1-CG 4.37Å; Y9-K405 WeakPolarHBondContact O-CD 3.46Å; Y9-K405 WeakPolarHBondContact O-CE 3.35Å; Y9-K405 PolarHBondContact O-NZ 3.43Å; D11-K405 IonicContact OD1-NZ 2.87Å; D11-K405 IonicContact OD2-NZ 2.63Å; D11-K405 PolarHBondContact OD2-NZ 3.49Å; H401-K405 VanDerWaalsContact O-CB 3.3Å; H401-K405 WeakPolarHBondContact O-CB 3.26Å; H401-K405 PolarHBondContact O-N 2.52Å; T402-K405 PolarHBondContact O-N 3.27Å; W403-K405 VanDerWaalsContact C-N 3.3Å; W403-K405 PolarHBondContact O-N 3.46Å; K405-K410 WeakPolarHBondContact O-CB 3.32Å; K405-K410 WeakPolarHBondContact O-CG 3.46Å; K405-K410 PolarHBondContact O-N 3.42Å
406	Q	91.6	Very high	93.1	Very high	62 Å²	62	43.5 Å²	43.5	29%	0.29	22%	0.22	S	C	.	.	I	π-helix	trans	-71.8	-44.3	-174	-178	175.1	-9.9	0	0	113.1	E214 T402 W403 P411	E214-Q406 PolarHBondContact OE1-NE2 2.85Å; T402-Q406 VanDerWaalsContact O-CB 3.29Å; T402-Q406 WeakPolarHBondContact O-CB 3.32Å; T402-Q406 PolarHBondContact O-N 3Å; W403-Q406 PolarHBondContact O-N 3.27Å; Q406-P411 WeakPolarHBondContact O-CD 3.24Å
407	Y	93.2	Very high	92.6	Very high	14 Å²	14	42.3 Å²	42.3	6%	0.055	22%	0.217	C	C	.	.	I	π-helix	trans	-106	-8	-168.9	-58.8	-73.1	0	0	0	113.9	S210 M213 E214 W256 W403	S210-Y407 WeakPolarHBondContact OG-CE2 3.29Å; M213-Y407 HydrophobicContact CB-CD1 3.88Å; M213-Y407 HydrophobicContact CB-CE1 3.91Å; M213-Y407 HydrophobicContact CE-CD1 3.87Å; M213-Y407 HydrophobicContact CG-CD1 4.23Å; M213-Y407 HydrophobicContact SD-CD1 3.51Å; M213-Y407 VanDerWaalsContact SD-CD1 3.51Å; M213-Y407 HydrophobicContact SD-CE1 4.49Å; M213-Y407 HydrophobicContact SD-CG 4.17Å; E214-Y407 HydrophobicContact CG-CE1 4.38Å; E214-Y407 PolarHBondContact OE1-OH 2.91Å; W256-Y407 AromaticContact CH2-CE2 3.82Å; W256-Y407 HydrophobicContact CH2-CE2 3.82Å; W256-Y407 HydrophobicContact CZ2-CD2 4.42Å; W256-Y407 AromaticContact CZ2-CE2 3.44Å; W256-Y407 HydrophobicContact CZ2-CE2 3.44Å; W256-Y407 VanDerWaalsContact CZ2-CE2 3.44Å; W403-Y407 HydrophobicContact CB-CD2 4.46Å; W403-Y407 AromaticContact CD1-CD2 3.24Å; W403-Y407 AromaticContact CD1-CE2 3.65Å; W403-Y407 HydrophobicContact CD2-CD2 4.37Å; W403-Y407 AromaticContact CG-CD2 3.85Å; W403-Y407 HydrophobicContact CG-CD2 3.85Å; W403-Y407 HydrophobicContact CG-CE2 4.49Å; W403-Y407 AromaticContact NE1-CD2 3.44Å; W403-Y407 WeakPolarHBondContact O-CB 3.08Å; W403-Y407 WeakPolarHBondContact O-CD2 3.43Å; W403-Y407 PolarHBondContact O-N 3.32Å
408	V	94.5	Very high	92.2	Very high	17 Å²	17	44.7 Å²	44.7	10%	0.103	23%	0.232	C	C	.	.	I	π-helix	trans	-123.2	-60	176.7	-172.4	0	0	0	0	111.8	W403 L404 P411 L412 A427	W403-V408 HydrophobicContact CH2-CG2 4Å; W403-V408 HydrophobicContact CZ3-CG2 3.8Å; L404-V408 HydrophobicContact CD2-CG2 4.22Å; L404-V408 CarbonylContact O-C 3.55Å; L404-V408 WeakPolarHBondContact O-CA 3.16Å; L404-V408 VanDerWaalsContact O-CB 3.24Å; L404-V408 WeakPolarHBondContact O-CB 3.4Å; L404-V408 PolarHBondContact O-N 3.03Å; V408-P411 WeakPolarHBondContact O-CD 3.5Å; V408-L412 HydrophobicContact CG1-CD1 3.84Å; V408-L412 WeakPolarHBondContact O-CB 3.44Å; V408-L412 VanDerWaalsContact O-CG 3.28Å; V408-L412 WeakPolarHBondContact O-CG 3.35Å; V408-L412 PolarHBondContact O-N 3.49Å; V408-L412 VanDerWaalsContact O-N 3.1Å; V408-A427 HydrophobicContact CB-CB 4.48Å; V408-A427 HydrophobicContact CG1-CB 3.84Å; V408-A427 HydrophobicContact CG2-CB 3.94Å
409	Y	92.7	Very high	91.9	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	26%	0.259	C	S	.	.	I	π-helix	trans	-63.2	-55.7	-175.1	-175.3	-90.2	0	0	0	112.3	W8 Y9 L404 L412 R413 H417 A420 V421	W8-Y409 HydrophobicContact CZ3-CE2 4.05Å; Y9-Y409 AromaticContact CD1-CD1 3.57Å; Y9-Y409 HydrophobicContact CD1-CD1 3.57Å; Y9-Y409 AromaticContact CD1-CD2 3.47Å; Y9-Y409 HydrophobicContact CD1-CD2 3.47Å; Y9-Y409 VanDerWaalsContact CD1-CD2 3.47Å; Y9-Y409 AromaticContact CD1-CE1 3.82Å; Y9-Y409 HydrophobicContact CD1-CE1 3.82Å; Y9-Y409 AromaticContact CD1-CE2 3.72Å; Y9-Y409 HydrophobicContact CD1-CE2 3.72Å; Y9-Y409 AromaticContact CD1-CG 3.39Å; Y9-Y409 HydrophobicContact CD1-CG 3.39Å; Y9-Y409 AromaticContact CD1-CZ 3.89Å; Y9-Y409 HydrophobicContact CD2-CE2 4.1Å; Y9-Y409 HydrophobicContact CE1-CD1 4.32Å; Y9-Y409 AromaticContact CE1-CD2 3.52Å; Y9-Y409 HydrophobicContact CE1-CD2 3.52Å; Y9-Y409 HydrophobicContact CE1-CE2 4.06Å; Y9-Y409 AromaticContact CE1-CG 3.67Å; Y9-Y409 HydrophobicContact CE1-CG 3.67Å; Y9-Y409 HydrophobicContact CE2-CE2 4.4Å; Y9-Y409 HydrophobicContact CG-CD1 4.11Å; Y9-Y409 AromaticContact CG-CD2 3.98Å; Y9-Y409 HydrophobicContact CG-CD2 3.98Å; Y9-Y409 AromaticContact CG-CE1 3.86Å; Y9-Y409 HydrophobicContact CG-CE1 3.86Å; Y9-Y409 AromaticContact CG-CE2 3.71Å; Y9-Y409 HydrophobicContact CG-CE2 3.71Å; Y9-Y409 HydrophobicContact CG-CG 4.17Å; Y9-Y409 AromaticContact CG-CZ 3.64Å; L404-Y409 PolarHBondContact O-N 2.93Å; Y409-L412 CarbonylContact O-C 3.45Å; Y409-L412 PolarHBondContact O-N 3.37Å; Y409-R413 HydrophobicContact CE1-CG 4.44Å; Y409-R413 PolarHBondContact O-N 2.96Å; Y409-H417 PolarHBondContact OH-ND1 3.22Å; Y409-A420 HydrophobicContact CD2-CB 3.65Å; Y409-A420 HydrophobicContact CE2-CB 3.61Å; Y409-A420 HydrophobicContact CG-CB 4.24Å; Y409-V421 HydrophobicContact CE2-CG2 4.22Å
410	K	91.4	Very high	91.7	Very high	99 Å²	99	51.2 Å²	51.2	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-44.4	-178.5	-76.2	-178.5	-177.6	-176.6	0	112.4	K405 L412 R413	K405-K410 WeakPolarHBondContact O-CB 3.32Å; K405-K410 WeakPolarHBondContact O-CG 3.46Å; K405-K410 PolarHBondContact O-N 3.42Å; K410-L412 VanDerWaalsContact C-N 3.34Å; K410-L412 PolarHBondContact O-N 3.34Å; K410-R413 WeakPolarHBondContact O-CB 3.49Å; K410-R413 PolarHBondContact O-N 3.29Å
411	P	90.4	Very high	91.5	Very high	57 Å²	57	51.2 Å²	51.2	37%	0.37	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-31.4	173.3	-27.5	36.7	0	0	0	115.2	M213 Q406 V408 P414	M213-P411 HydrophobicContact CE-CG 4.01Å; Q406-P411 WeakPolarHBondContact O-CD 3.24Å; V408-P411 WeakPolarHBondContact O-CD 3.5Å; P411-P414 WeakPolarHBondContact O-CD 3.25Å
412	L	93	Very high	91.4	Very high	56 Å²	56	54.4 Å²	54.4	29%	0.293	27%	0.274	S	S	.	.	H	α-helix	trans	-86.1	-18.1	178.6	-69.5	176.5	0	0	0	113.5	V408 Y409 K410 P414 Y415 A420	V408-L412 HydrophobicContact CG1-CD1 3.84Å; V408-L412 WeakPolarHBondContact O-CB 3.44Å; V408-L412 VanDerWaalsContact O-CG 3.28Å; V408-L412 WeakPolarHBondContact O-CG 3.35Å; V408-L412 PolarHBondContact O-N 3.49Å; V408-L412 VanDerWaalsContact O-N 3.1Å; Y409-L412 CarbonylContact O-C 3.45Å; Y409-L412 PolarHBondContact O-N 3.37Å; K410-L412 VanDerWaalsContact C-N 3.34Å; K410-L412 PolarHBondContact O-N 3.34Å; L412-P414 VanDerWaalsContact C-N 3.33Å; L412-Y415 HydrophobicContact CD2-CD2 4.37Å; L412-Y415 WeakPolarHBondContact O-CB 3.42Å; L412-Y415 WeakPolarHBondContact O-CD2 3.49Å; L412-Y415 PolarHBondContact O-N 2.82Å; L412-A420 HydrophobicContact CB-CB 4.04Å
413	R	89.3	Confident	91.3	Very high	62 Å²	62	53 Å²	53	23%	0.234	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-49.1	-42.1	-180	-163.7	-169.1	-160.1	-159.6	3.1	114.1	E6 Y409 K410 Y415 G416	E6-R413 IonicContact OE1-CZ 3.45Å; E6-R413 IonicContact OE1-NH1 3.79Å; E6-R413 IonicContact OE1-NH2 3.25Å; E6-R413 PolarHBondContact OE1-NH2 2.84Å; Y409-R413 HydrophobicContact CE1-CG 4.44Å; Y409-R413 PolarHBondContact O-N 2.96Å; K410-R413 WeakPolarHBondContact O-CB 3.49Å; K410-R413 PolarHBondContact O-N 3.29Å; R413-Y415 PolarHBondContact O-N 2.91Å; R413-G416 PolarHBondContact O-N 3.26Å
414	P	93.2	Very high	91.3	Very high	111 Å²	111	52.8 Å²	52.8	72%	0.721	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.9	-19	178.3	-24.6	36.1	0	0	0	114.8	P411 L412	P411-P414 WeakPolarHBondContact O-CD 3.25Å; L412-P414 VanDerWaalsContact C-N 3.33Å
415	Y	92.6	Very high	91.1	Very high	176 Å²	176	52.9 Å²	52.9	69%	0.69	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-88.6	-6.6	176.9	-57.9	-77.6	0	0	0	113.2	L412 R413 Y419	L412-Y415 HydrophobicContact CD2-CD2 4.37Å; L412-Y415 WeakPolarHBondContact O-CB 3.42Å; L412-Y415 WeakPolarHBondContact O-CD2 3.49Å; L412-Y415 PolarHBondContact O-N 2.82Å; R413-Y415 PolarHBondContact O-N 2.91Å; Y415-Y419 WeakPolarHBondContact O-CD2 3.34Å
416	G	89.5	Confident	91.2	Very high	27 Å²	27	55.1 Å²	55.1	28%	0.278	28%	0.283	S	S	.	.			trans	119.3	151.2	177.6	0	0	0	0	0	113.6	R413 V418 Y419 A420	R413-G416 PolarHBondContact O-N 3.26Å; G416-V418 PolarHBondContact O-N 3.38Å; G416-Y419 PolarHBondContact O-N 2.98Å; G416-A420 PolarHBondContact O-N 3.18Å
417	H	83.7	Confident	91.3	Very high	39 Å²	39	53.2 Å²	53.2	18%	0.181	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-51.6	-175	-76.1	-87	0	0	0	112.7	E5 Y409 Y419 A420 V421	E5-H417 IonicContact OE2-CD2 3.6Å; E5-H417 PolarHBondContact OE2-CD2 3.2Å; E5-H417 VanDerWaalsContact OE2-CD2 3.25Å; E5-H417 IonicContact OE2-CG 3.55Å; Y409-H417 PolarHBondContact OH-ND1 3.22Å; H417-Y419 VanDerWaalsContact C-N 3.29Å; H417-Y419 PolarHBondContact O-N 2.87Å; H417-A420 WeakPolarHBondContact O-CA 3.2Å; H417-A420 WeakPolarHBondContact O-CB 3.21Å; H417-A420 PolarHBondContact O-N 3.17Å; H417-V421 WeakPolarHBondContact O-CG2 3.41Å; H417-V421 PolarHBondContact O-N 3.45Å
418	V	85.6	Confident	91.3	Very high	83 Å²	83	53 Å²	53	50%	0.503	28%	0.278	S	S	.	.	H	α-helix	trans	-56.7	-43.2	-179.3	178.3	0	0	0	0	111.7	G416 V421 L422	G416-V418 PolarHBondContact O-N 3.38Å; V418-V421 PolarHBondContact O-N 3.38Å; V418-L422 HydrophobicContact CG1-CD1 3.94Å; V418-L422 HydrophobicContact CG1-CG 4.39Å; V418-L422 WeakPolarHBondContact O-CB 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.41Å; V418-L422 PolarHBondContact O-N 3Å
419	Y	90	Very high	91.2	Very high	160 Å²	160	52.4 Å²	52.4	63%	0.627	28%	0.275	S	S	*	.	H	α-helix	trans	-66.7	-37.9	177.6	-62.1	-71.7	0	0	0	112.1	Y415 G416 H417 G423	Y415-Y419 WeakPolarHBondContact O-CD2 3.34Å; G416-Y419 PolarHBondContact O-N 2.98Å; H417-Y419 VanDerWaalsContact C-N 3.29Å; H417-Y419 PolarHBondContact O-N 2.87Å; Y419-G423 PolarHBondContact O-N 3.09Å
420	A	91.4	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-39.8	174.8	0	0	0	0	0	111.9	Y409 L412 G416 H417 T424	Y409-A420 HydrophobicContact CD2-CB 3.65Å; Y409-A420 HydrophobicContact CE2-CB 3.61Å; Y409-A420 HydrophobicContact CG-CB 4.24Å; L412-A420 HydrophobicContact CB-CB 4.04Å; G416-A420 PolarHBondContact O-N 3.18Å; H417-A420 WeakPolarHBondContact O-CA 3.2Å; H417-A420 WeakPolarHBondContact O-CB 3.21Å; H417-A420 PolarHBondContact O-N 3.17Å; A420-T424 VanDerWaalsContact O-CB 3.3Å; A420-T424 WeakPolarHBondContact O-CB 3.16Å; A420-T424 PolarHBondContact O-N 2.76Å; A420-T424 PolarHBondContact O-OG1 2.93Å
421	V	88.4	Confident	91.2	Very high	15 Å²	15	52 Å²	52	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-54.8	174.7	-178.5	0	0	0	0	111.7	W8 Y409 H417 V418 G423 T424 Y425	W8-V421 HydrophobicContact CE3-CG2 4.31Å; W8-V421 HydrophobicContact CH2-CB 4.12Å; W8-V421 HydrophobicContact CH2-CG1 3.81Å; W8-V421 HydrophobicContact CH2-CG2 3.18Å; W8-V421 HydrophobicContact CZ2-CG2 4.48Å; W8-V421 HydrophobicContact CZ3-CB 4.39Å; W8-V421 HydrophobicContact CZ3-CG2 3.08Å; Y409-V421 HydrophobicContact CE2-CG2 4.22Å; H417-V421 WeakPolarHBondContact O-CG2 3.41Å; H417-V421 PolarHBondContact O-N 3.45Å; V418-V421 PolarHBondContact O-N 3.38Å; V421-G423 VanDerWaalsContact C-N 3.27Å; V421-G423 PolarHBondContact O-N 3.2Å; V421-T424 WeakPolarHBondContact O-CB 3.33Å; V421-T424 PolarHBondContact O-N 2.89Å; V421-T424 VanDerWaalsContact O-N 3.07Å; V421-Y425 HydrophobicContact CG1-CD2 3.84Å; V421-Y425 HydrophobicContact CG1-CE2 3.99Å; V421-Y425 WeakPolarHBondContact O-CD2 3.3Å; V421-Y425 PolarHBondContact O-N 3.4Å
422	L	91.1	Very high	91.1	Very high	80 Å²	80	51.6 Å²	51.6	42%	0.419	27%	0.27	S	S	.	.	H	α-helix	trans	-60.3	-41.8	-178.8	-69.7	175.7	0	0	0	110.8	V418 T424 Y425 T426 F443	V418-L422 HydrophobicContact CG1-CD1 3.94Å; V418-L422 HydrophobicContact CG1-CG 4.39Å; V418-L422 WeakPolarHBondContact O-CB 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.41Å; V418-L422 PolarHBondContact O-N 3Å; L422-T424 VanDerWaalsContact C-N 3.34Å; L422-T424 PolarHBondContact O-N 2.6Å; L422-Y425 PolarHBondContact O-N 3.33Å; L422-T426 VanDerWaalsContact O-CB 3.25Å; L422-T426 WeakPolarHBondContact O-CB 3.43Å; L422-T426 PolarHBondContact O-N 3.21Å; L422-T426 PolarHBondContact O-OG1 3.39Å; L422-F443 HydrophobicContact CD2-CE1 4.49Å
423	G	93.4	Very high	90.6	Very high	19 Å²	19	49 Å²	49	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-38.9	174.8	0	0	0	0	0	112.8	Y419 V421 T426 A427	Y419-G423 PolarHBondContact O-N 3.09Å; V421-G423 VanDerWaalsContact C-N 3.27Å; V421-G423 PolarHBondContact O-N 3.2Å; G423-T426 PolarHBondContact O-N 3.35Å; G423-A427 WeakPolarHBondContact O-CB 3.5Å; G423-A427 PolarHBondContact O-N 3.38Å
424	T	94.2	Very high	90.2	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-49.3	176.7	-60.9	0	0	0	0	111.8	L404 A420 V421 L422 T426 A427 S428	L404-T424 HydrophobicContact CB-CG2 3.92Å; L404-T424 HydrophobicContact CD1-CG2 4.32Å; L404-T424 HydrophobicContact CD2-CG2 4.16Å; L404-T424 HydrophobicContact CG-CG2 4.36Å; A420-T424 VanDerWaalsContact O-CB 3.3Å; A420-T424 WeakPolarHBondContact O-CB 3.16Å; A420-T424 PolarHBondContact O-N 2.76Å; A420-T424 PolarHBondContact O-OG1 2.93Å; V421-T424 WeakPolarHBondContact O-CB 3.33Å; V421-T424 PolarHBondContact O-N 2.89Å; V421-T424 VanDerWaalsContact O-N 3.07Å; L422-T424 VanDerWaalsContact C-N 3.34Å; L422-T424 PolarHBondContact O-N 2.6Å; T424-T426 VanDerWaalsContact C-N 3.33Å; T424-T426 PolarHBondContact O-N 3.49Å; T424-A427 PolarHBondContact O-N 2.63Å; T424-S428 WeakPolarHBondContact O-CB 3.34Å; T424-S428 PolarHBondContact O-N 3.38Å
425	Y	92.3	Very high	89.7	Confident	15 Å²	15	45.3 Å²	45.3	6%	0.059	24%	0.235	C	C	.	.	H	α-helix	trans	-71.2	-28.2	177.6	-77.2	-76.2	0	0	0	113.1	V393 V421 L422 S429 L442 I445 G446	V393-Y425 WeakPolarHBondContact CG1-OH 3.35Å; V421-Y425 HydrophobicContact CG1-CD2 3.84Å; V421-Y425 HydrophobicContact CG1-CE2 3.99Å; V421-Y425 WeakPolarHBondContact O-CD2 3.3Å; V421-Y425 PolarHBondContact O-N 3.4Å; L422-Y425 PolarHBondContact O-N 3.33Å; Y425-S429 VanDerWaalsContact O-CB 3.29Å; Y425-S429 WeakPolarHBondContact O-CB 3.22Å; Y425-S429 PolarHBondContact O-N 3.4Å; Y425-S429 PolarHBondContact O-OG 2.95Å; Y425-L442 HydrophobicContact CD1-CB 4.3Å; Y425-L442 WeakPolarHBondContact CD1-O 3.05Å; Y425-L442 VanDerWaalsContact CE1-O 3.24Å; Y425-L442 WeakPolarHBondContact CE1-O 3.47Å; Y425-I445 HydrophobicContact CE1-CG2 4.27Å; Y425-G446 VanDerWaalsContact OH-CA 3.26Å; Y425-G446 WeakPolarHBondContact OH-CA 3.33Å
426	T	93.5	Very high	89.3	Confident	62 Å²	62	41 Å²	41	38%	0.38	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-48.5	170.1	-59	0	0	0	0	110.8	L422 G423 T424 S429 L430 F443	L422-T426 VanDerWaalsContact O-CB 3.25Å; L422-T426 WeakPolarHBondContact O-CB 3.43Å; L422-T426 PolarHBondContact O-N 3.21Å; L422-T426 PolarHBondContact O-OG1 3.39Å; G423-T426 PolarHBondContact O-N 3.35Å; T424-T426 VanDerWaalsContact C-N 3.33Å; T424-T426 PolarHBondContact O-N 3.49Å; T426-S429 PolarHBondContact O-N 2.91Å; T426-L430 HydrophobicContact CG2-CD1 4.12Å; T426-L430 WeakPolarHBondContact O-CG 3.41Å; T426-L430 PolarHBondContact O-N 3.45Å; T426-F443 WeakPolarHBondContact OG1-CZ 3.42Å
427	A	94.1	Very high	89.2	Confident	21 Å²	21	40 Å²	40	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-43.4	177.2	0	0	0	0	0	111.8	L404 V408 G423 T424 S429 L430 L431	L404-A427 HydrophobicContact CD2-CB 4.33Å; V408-A427 HydrophobicContact CB-CB 4.48Å; V408-A427 HydrophobicContact CG1-CB 3.84Å; V408-A427 HydrophobicContact CG2-CB 3.94Å; G423-A427 WeakPolarHBondContact O-CB 3.5Å; G423-A427 PolarHBondContact O-N 3.38Å; T424-A427 PolarHBondContact O-N 2.63Å; A427-S429 VanDerWaalsContact C-N 3.34Å; A427-S429 PolarHBondContact O-N 3.25Å; A427-L430 PolarHBondContact O-N 2.82Å; A427-L431 WeakPolarHBondContact O-CG 3.48Å; A427-L431 PolarHBondContact O-N 3.2Å
428	S	93.8	Very high	89.3	Confident	9 Å²	9	39.3 Å²	39.3	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-44	174.4	-167.9	0	0	0	0	111.6	T424 L431 H432	T424-S428 WeakPolarHBondContact O-CB 3.34Å; T424-S428 PolarHBondContact O-N 3.38Å; S428-L431 PolarHBondContact O-N 2.92Å; S428-H432 PolarHBondContact O-CD2 2.84Å; S428-H432 PolarHBondContact O-N 3.47Å
429	S	92.4	Very high	89.5	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-46.6	178.1	-60.5	0	0	0	0	111.2	Y425 T426 A427 L431 H432 F443	Y425-S429 VanDerWaalsContact O-CB 3.29Å; Y425-S429 WeakPolarHBondContact O-CB 3.22Å; Y425-S429 PolarHBondContact O-N 3.4Å; Y425-S429 PolarHBondContact O-OG 2.95Å; T426-S429 PolarHBondContact O-N 2.91Å; A427-S429 VanDerWaalsContact C-N 3.34Å; A427-S429 PolarHBondContact O-N 3.25Å; S429-L431 VanDerWaalsContact C-N 3.31Å; S429-L431 PolarHBondContact O-N 2.97Å; S429-H432 PolarHBondContact O-N 3.08Å; S429-F443 WeakPolarHBondContact OG-CE2 3.37Å
430	L	91.8	Very high	89.5	Confident	82 Å²	82	29.7 Å²	29.7	43%	0.429	17%	0.167	S	C	.	.	H	α-helix	trans	-57.6	-43	177.7	-73.9	170.9	0	0	0	112.2	Q182 T426 A427 H432 G433 L434	Q182-L430 PolarHBondContact OE1-O 3.14Å; T426-L430 HydrophobicContact CG2-CD1 4.12Å; T426-L430 WeakPolarHBondContact O-CG 3.41Å; T426-L430 PolarHBondContact O-N 3.45Å; A427-L430 PolarHBondContact O-N 2.82Å; L430-H432 PolarHBondContact O-N 3.2Å; L430-G433 WeakPolarHBondContact O-CA 3.4Å; L430-G433 PolarHBondContact O-N 2.99Å; L430-L434 HydrophobicContact CD2-CD2 3.63Å
431	L	92.4	Very high	89.5	Confident	9 Å²	9	30.6 Å²	30.6	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-29.2	176.9	-79.9	174	0	0	0	113.5	M202 I205 M206 M400 W403 A427 S428 S429 G433	M202-L431 HydrophobicContact CG-CB 4.02Å; M202-L431 HydrophobicContact CG-CD2 4.26Å; M202-L431 HydrophobicContact SD-CB 4.42Å; I205-L431 HydrophobicContact CB-CD2 4Å; I205-L431 HydrophobicContact CG2-CD2 3.64Å; M206-L431 HydrophobicContact CG-CD1 4.04Å; M206-L431 HydrophobicContact CG-CD2 4.27Å; M400-L431 HydrophobicContact CE-CB 4.25Å; M400-L431 HydrophobicContact CE-CD1 3.47Å; M400-L431 VanDerWaalsContact CE-CD1 3.47Å; M400-L431 HydrophobicContact SD-CD1 4.27Å; W403-L431 HydrophobicContact CE3-CD1 4.13Å; W403-L431 HydrophobicContact CH2-CD1 3.87Å; W403-L431 HydrophobicContact CZ3-CD1 3.44Å; W403-L431 VanDerWaalsContact CZ3-CD1 3.44Å; A427-L431 WeakPolarHBondContact O-CG 3.48Å; A427-L431 PolarHBondContact O-N 3.2Å; S428-L431 PolarHBondContact O-N 2.92Å; S429-L431 VanDerWaalsContact C-N 3.31Å; S429-L431 PolarHBondContact O-N 2.97Å; L431-G433 VanDerWaalsContact C-N 3.25Å; L431-G433 PolarHBondContact O-N 3.16Å
432	H	88.5	Confident	89.7	Confident	50 Å²	50	31.4 Å²	31.4	23%	0.231	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	8.3	174.4	-76.2	-66.5	0	0	0	113.8	R198 S428 S429 L430 L438	R198-H432 VanDerWaalsContact CD-O 3.27Å; R198-H432 WeakPolarHBondContact CD-O 3.3Å; R198-H432 PolarHBondContact NH1-O 3.26Å; S428-H432 PolarHBondContact O-CD2 2.84Å; S428-H432 PolarHBondContact O-N 3.47Å; S429-H432 PolarHBondContact O-N 3.08Å; L430-H432 PolarHBondContact O-N 3.2Å; H432-L438 HydrophobicContact CB-CB 4.45Å; H432-L438 HydrophobicContact CB-CD1 4.15Å
433	G	81.2	Confident	89.8	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.021	17%	0.169	C	C	.	.			trans	77.7	169.4	-169	0	0	0	0	0	111.5	L430 L431 N435	L430-G433 WeakPolarHBondContact O-CA 3.4Å; L430-G433 PolarHBondContact O-N 2.99Å; L431-G433 VanDerWaalsContact C-N 3.25Å; L431-G433 PolarHBondContact O-N 3.16Å; G433-N435 PolarHBondContact O-N 2.93Å
434	L	81.5	Confident	89.8	Confident	77 Å²	77	30.3 Å²	30.3	40%	0.403	16%	0.164	S	C	.	.	S	Bend	trans	-75.5	36.8	177.4	-62.3	172.9	0	0	0	112.1	L183 E186 F187 L430 F436	L183-L434 HydrophobicContact CD2-CD1 3.68Å; E186-L434 HydrophobicContact CG-CB 3.99Å; E186-L434 HydrophobicContact CG-CD1 4.44Å; E186-L434 HydrophobicContact CG-CG 4.45Å; E186-L434 PolarHBondContact OE2-N 3.31Å; F187-L434 HydrophobicContact CE2-CD1 4.07Å; F187-L434 HydrophobicContact CZ-CD1 3.79Å; L430-L434 HydrophobicContact CD2-CD2 3.63Å; L434-F436 PolarHBondContact O-N 2.88Å; L434-F436 VanDerWaalsContact O-N 3.15Å
435	N	82.7	Confident	89.7	Confident	18 Å²	18	31.2 Å²	31.2	10%	0.096	17%	0.169	C	C	.	.			trans	-72	110.2	178.2	-175.6	-54.9	0	0	0	108.8	G433 Q437 L438 S439	G433-N435 PolarHBondContact O-N 2.93Å; N435-Q437 PolarHBondContact O-N 2.82Å; N435-Q437 WeakPolarHBondContact OD1-CA 3.37Å; N435-Q437 WeakPolarHBondContact OD1-CB 3.4Å; N435-Q437 PolarHBondContact OD1-N 3.25Å; N435-L438 HydrophobicContact CB-CB 4.3Å; N435-L438 HydrophobicContact CB-CD1 4.04Å; N435-L438 PolarHBondContact O-N 3.32Å; N435-L438 PolarHBondContact OD1-N 3.48Å; N435-L438 VanDerWaalsContact OD1-N 3.14Å; N435-S439 WeakPolarHBondContact O-CB 3.29Å; N435-S439 PolarHBondContact O-N 3.37Å; N435-S439 PolarHBondContact O-OG 3.04Å
436	F	84.7	Confident	89.7	Confident	85 Å²	85	30.6 Å²	30.6	37%	0.373	17%	0.167	S	C	.	.	H	α-helix	trans	-55.2	-40.3	-178.6	178.1	-88.6	0	0	0	112.2	L434 S439 A440 M520 T523	L434-F436 PolarHBondContact O-N 2.88Å; L434-F436 VanDerWaalsContact O-N 3.15Å; F436-S439 PolarHBondContact O-N 3.22Å; F436-A440 HydrophobicContact CE1-CB 4.1Å; F436-A440 HydrophobicContact CZ-CB 4.35Å; F436-A440 VanDerWaalsContact O-CB 3.24Å; F436-A440 WeakPolarHBondContact O-CB 3.33Å; F436-A440 PolarHBondContact O-N 2.91Å; F436-M520 HydrophobicContact CD1-CB 3.78Å; F436-M520 HydrophobicContact CD1-CG 3.93Å; F436-M520 HydrophobicContact CD2-CB 4.47Å; F436-M520 HydrophobicContact CD2-CG 4.44Å; F436-M520 HydrophobicContact CD2-SD 4.42Å; F436-M520 HydrophobicContact CE1-CB 3.86Å; F436-M520 HydrophobicContact CE1-CG 3.46Å; F436-M520 VanDerWaalsContact CE1-CG 3.46Å; F436-M520 HydrophobicContact CE1-SD 4.33Å; F436-M520 HydrophobicContact CE2-CG 4.01Å; F436-M520 HydrophobicContact CE2-SD 3.8Å; F436-M520 HydrophobicContact CG-CB 4.11Å; F436-M520 HydrophobicContact CG-CG 4.41Å; F436-M520 HydrophobicContact CZ-CB 4.23Å; F436-M520 HydrophobicContact CZ-CG 3.49Å; F436-M520 VanDerWaalsContact CZ-CG 3.49Å; F436-M520 HydrophobicContact CZ-SD 3.76Å; F436-T523 HydrophobicContact CE1-CG2 4.34Å
437	Q	86.9	Confident	89.6	Confident	6 Å²	6	32.2 Å²	32.2	3%	0.028	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-53.8	-177.5	-49.4	-167.6	-91.8	0	0	111.1	N435 S439 A440 V441 M507 Y518 T523	N435-Q437 PolarHBondContact O-N 2.82Å; N435-Q437 WeakPolarHBondContact OD1-CA 3.37Å; N435-Q437 WeakPolarHBondContact OD1-CB 3.4Å; N435-Q437 PolarHBondContact OD1-N 3.25Å; Q437-S439 VanDerWaalsContact C-N 3.32Å; Q437-S439 PolarHBondContact O-N 2.88Å; Q437-A440 PolarHBondContact O-N 3.21Å; Q437-V441 WeakPolarHBondContact O-CG2 3.21Å; Q437-V441 PolarHBondContact O-N 3.38Å; Q437-V441 VanDerWaalsContact O-N 3.08Å; Q437-M507 VanDerWaalsContact C-CE 3.41Å; Q437-M507 HydrophobicContact CB-CE 3.38Å; Q437-M507 HydrophobicContact CG-CE 4.3Å; Q437-M507 WeakPolarHBondContact O-CE 3.4Å; Q437-Y518 VanDerWaalsContact CD-CB 3.42Å; Q437-Y518 VanDerWaalsContact NE2-CB 3.33Å; Q437-Y518 VanDerWaalsContact NE2-CD2 3.31Å; Q437-Y518 VanDerWaalsContact OE1-CD2 3.27Å; Q437-T523 WeakPolarHBondContact CG-OG1 3.42Å; Q437-T523 PolarHBondContact NE2-OG1 3.23Å
438	L	85.2	Confident	89.6	Confident	25 Å²	25	31.7 Å²	31.7	13%	0.131	17%	0.166	C	C	.	.	H	α-helix	trans	-62.2	-43.2	178.8	-74	161.6	0	0	0	110.7	R198 H432 N435 A440 V441 L442 F508	R198-L438 VanDerWaalsContact NH1-CD1 3.34Å; H432-L438 HydrophobicContact CB-CB 4.45Å; H432-L438 HydrophobicContact CB-CD1 4.15Å; N435-L438 HydrophobicContact CB-CB 4.3Å; N435-L438 HydrophobicContact CB-CD1 4.04Å; N435-L438 PolarHBondContact O-N 3.32Å; N435-L438 PolarHBondContact OD1-N 3.48Å; N435-L438 VanDerWaalsContact OD1-N 3.14Å; L438-A440 PolarHBondContact O-N 2.85Å; L438-V441 PolarHBondContact O-N 2.81Å; L438-L442 WeakPolarHBondContact O-CB 3.27Å; L438-L442 WeakPolarHBondContact O-CG 3.06Å; L438-L442 PolarHBondContact O-N 3.15Å; L438-F508 HydrophobicContact CD2-CE1 3.59Å; L438-F508 HydrophobicContact CD2-CZ 3.53Å; L438-F508 HydrophobicContact CG-CE1 3.97Å; L438-F508 HydrophobicContact CG-CZ 4.14Å
439	S	89.9	Confident	89.6	Confident	25 Å²	25	31.3 Å²	31.3	18%	0.175	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-48.7	177.3	-56.6	0	0	0	0	111.2	N435 F436 Q437 V441 L442 F443	N435-S439 WeakPolarHBondContact O-CB 3.29Å; N435-S439 PolarHBondContact O-N 3.37Å; N435-S439 PolarHBondContact O-OG 3.04Å; F436-S439 PolarHBondContact O-N 3.22Å; Q437-S439 VanDerWaalsContact C-N 3.32Å; Q437-S439 PolarHBondContact O-N 2.88Å; S439-V441 VanDerWaalsContact C-N 3.32Å; S439-V441 PolarHBondContact O-N 2.92Å; S439-L442 PolarHBondContact O-N 2.87Å; S439-F443 WeakPolarHBondContact O-CB 3.23Å; S439-F443 VanDerWaalsContact O-CD2 3.28Å; S439-F443 WeakPolarHBondContact O-CD2 3.5Å; S439-F443 PolarHBondContact O-N 2.84Å
440	A	91	Very high	89.5	Confident	16 Å²	16	33.6 Å²	33.6	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-41.9	179.6	0	0	0	0	0	112	F436 Q437 L438 S444 W527	F436-A440 HydrophobicContact CE1-CB 4.1Å; F436-A440 HydrophobicContact CZ-CB 4.35Å; F436-A440 VanDerWaalsContact O-CB 3.24Å; F436-A440 WeakPolarHBondContact O-CB 3.33Å; F436-A440 PolarHBondContact O-N 2.91Å; Q437-A440 PolarHBondContact O-N 3.21Å; L438-A440 PolarHBondContact O-N 2.85Å; A440-S444 VanDerWaalsContact O-CB 3.23Å; A440-S444 WeakPolarHBondContact O-CB 3.28Å; A440-S444 PolarHBondContact O-N 3Å; A440-S444 PolarHBondContact O-OG 2.89Å; A440-W527 HydrophobicContact CB-CH2 3.83Å; A440-W527 HydrophobicContact CB-CZ3 4.3Å
441	V	91.3	Very high	89.6	Confident	19 Å²	19	30.1 Å²	30.1	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-47.9	175.7	172.6	0	0	0	0	111.6	Q437 L438 S439 S444 I445 L504 M507 F508 W527	Q437-V441 WeakPolarHBondContact O-CG2 3.21Å; Q437-V441 PolarHBondContact O-N 3.38Å; Q437-V441 VanDerWaalsContact O-N 3.08Å; L438-V441 PolarHBondContact O-N 2.81Å; S439-V441 VanDerWaalsContact C-N 3.32Å; S439-V441 PolarHBondContact O-N 2.92Å; V441-S444 PolarHBondContact O-N 3.37Å; V441-I445 WeakPolarHBondContact O-CG2 3.37Å; V441-I445 PolarHBondContact O-N 3.44Å; V441-L504 HydrophobicContact CG1-CB 4.35Å; V441-L504 WeakPolarHBondContact CG2-O 3.21Å; V441-M507 HydrophobicContact CG2-CE 3.47Å; V441-M507 VanDerWaalsContact CG2-CE 3.47Å; V441-M507 HydrophobicContact CG2-CG 4.12Å; V441-M507 HydrophobicContact CG2-SD 3.17Å; V441-M507 WeakPolarHBondContact CG2-SD 3.36Å; V441-F508 HydrophobicContact CB-CE2 4.43Å; V441-F508 HydrophobicContact CB-CZ 4.47Å; V441-F508 HydrophobicContact CG1-CE2 4.34Å; V441-F508 HydrophobicContact CG2-CE2 3.9Å; V441-F508 HydrophobicContact CG2-CZ 4.03Å; V441-W527 HydrophobicContact CG2-CZ2 4.26Å
442	L	92.1	Very high	89.7	Confident	31 Å²	31	30.2 Å²	30.2	16%	0.162	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-44.6	-177.7	-72.8	170.8	0	0	0	111.7	Y425 L438 S439 I445 G446	Y425-L442 HydrophobicContact CD1-CB 4.3Å; Y425-L442 WeakPolarHBondContact CD1-O 3.05Å; Y425-L442 VanDerWaalsContact CE1-O 3.24Å; Y425-L442 WeakPolarHBondContact CE1-O 3.47Å; L438-L442 WeakPolarHBondContact O-CB 3.27Å; L438-L442 WeakPolarHBondContact O-CG 3.06Å; L438-L442 PolarHBondContact O-N 3.15Å; S439-L442 PolarHBondContact O-N 2.87Å; L442-I445 VanDerWaalsContact O-CG2 3.29Å; L442-I445 WeakPolarHBondContact O-CG2 3.4Å; L442-G446 PolarHBondContact O-N 2.83Å
443	F	92.2	Very high	89.9	Confident	62 Å²	62	28.1 Å²	28.1	27%	0.272	14%	0.144	S	C	.	.	H	α-helix	trans	-65.7	-40	174.2	-83.6	-77.5	0	0	0	111.8	L422 T426 S429 S439 G446 I447	L422-F443 HydrophobicContact CD2-CE1 4.49Å; T426-F443 WeakPolarHBondContact OG1-CZ 3.42Å; S429-F443 WeakPolarHBondContact OG-CE2 3.37Å; S439-F443 WeakPolarHBondContact O-CB 3.23Å; S439-F443 VanDerWaalsContact O-CD2 3.28Å; S439-F443 WeakPolarHBondContact O-CD2 3.5Å; S439-F443 PolarHBondContact O-N 2.84Å; F443-G446 PolarHBondContact O-N 2.78Å; F443-I447 VanDerWaalsContact O-CG1 3.27Å; F443-I447 WeakPolarHBondContact O-CG1 3.27Å; F443-I447 PolarHBondContact O-N 2.88Å
444	S	94	Very high	90.4	Very high	15 Å²	15	28.5 Å²	28.5	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-48.8	178.5	-59.6	0	0	0	0	111.9	A440 V441 G446 I447 Y448	A440-S444 VanDerWaalsContact O-CB 3.23Å; A440-S444 WeakPolarHBondContact O-CB 3.28Å; A440-S444 PolarHBondContact O-N 3Å; A440-S444 PolarHBondContact O-OG 2.89Å; V441-S444 PolarHBondContact O-N 3.37Å; S444-G446 VanDerWaalsContact C-N 3.27Å; S444-G446 PolarHBondContact O-N 3.5Å; S444-I447 PolarHBondContact O-N 3.43Å; S444-Y448 WeakPolarHBondContact O-CB 3.38Å; S444-Y448 WeakPolarHBondContact O-CD1 3.32Å; S444-Y448 PolarHBondContact O-N 3.4Å
445	I	92.9	Very high	91.1	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.108	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-35.7	177.6	-164.5	171	0	0	0	111.3	V392 V393 Y425 V441 L442 Y448 A449 L501 L504	V392-I445 HydrophobicContact CG1-CD1 4.31Å; V393-I445 HydrophobicContact CG2-CD1 3.92Å; V393-I445 HydrophobicContact CG2-CG1 3.91Å; V393-I445 HydrophobicContact CG2-CG2 4.47Å; Y425-I445 HydrophobicContact CE1-CG2 4.27Å; V441-I445 WeakPolarHBondContact O-CG2 3.37Å; V441-I445 PolarHBondContact O-N 3.44Å; L442-I445 VanDerWaalsContact O-CG2 3.29Å; L442-I445 WeakPolarHBondContact O-CG2 3.4Å; I445-Y448 PolarHBondContact O-N 2.93Å; I445-A449 WeakPolarHBondContact O-CB 3.35Å; I445-A449 PolarHBondContact O-N 2.93Å; I445-L501 HydrophobicContact CD1-CD2 4.12Å; I445-L504 HydrophobicContact CB-CD1 3.96Å; I445-L504 HydrophobicContact CG1-CD1 4.42Å
446	G	90.8	Very high	91.7	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-64.3	-46.4	174.8	0	0	0	0	0	113.7	Y425 L442 F443 S444 Y450	Y425-G446 VanDerWaalsContact OH-CA 3.26Å; Y425-G446 WeakPolarHBondContact OH-CA 3.33Å; L442-G446 PolarHBondContact O-N 2.83Å; F443-G446 PolarHBondContact O-N 2.78Å; S444-G446 VanDerWaalsContact C-N 3.27Å; S444-G446 PolarHBondContact O-N 3.5Å; G446-Y450 WeakPolarHBondContact O-CB 3.39Å; G446-Y450 PolarHBondContact O-N 3.3Å
447	I	91.8	Very high	92	Very high	96 Å²	96	22.5 Å²	22.5	49%	0.492	12%	0.115	S	C	.	.	H	α-helix	trans	-65.2	-42.3	176.1	-68	166.1	0	0	0	110.5	F443 S444 T451	F443-I447 VanDerWaalsContact O-CG1 3.27Å; F443-I447 WeakPolarHBondContact O-CG1 3.27Å; F443-I447 PolarHBondContact O-N 2.88Å; S444-I447 PolarHBondContact O-N 3.43Å; I447-T451 VanDerWaalsContact O-CB 3.32Å; I447-T451 WeakPolarHBondContact O-CB 3.42Å; I447-T451 PolarHBondContact O-N 2.96Å; I447-T451 PolarHBondContact O-OG1 3.18Å
448	Y	94.6	Very high	92.4	Very high	11 Å²	11	25 Å²	25	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-46.4	-179.5	-68.7	10.6	0	0	0	111.4	L389 S444 I445 Y450 T451 E452 H500 L504 S534 H535 A538	L389-Y448 HydrophobicContact CD1-CD2 4.36Å; S444-Y448 WeakPolarHBondContact O-CB 3.38Å; S444-Y448 WeakPolarHBondContact O-CD1 3.32Å; S444-Y448 PolarHBondContact O-N 3.4Å; I445-Y448 PolarHBondContact O-N 2.93Å; Y448-Y450 VanDerWaalsContact C-N 3.34Å; Y448-Y450 PolarHBondContact O-N 3.15Å; Y448-T451 PolarHBondContact O-N 2.99Å; Y448-E452 WeakPolarHBondContact O-CB 3.38Å; Y448-E452 PolarHBondContact O-N 3.2Å; Y448-H500 HydrophobicContact CD2-CB 4.21Å; Y448-H500 AromaticContact CD2-CG 3.96Å; Y448-H500 AromaticContact CD2-ND1 3.77Å; Y448-H500 AromaticContact CE2-ND1 3.69Å; Y448-L504 HydrophobicContact CD2-CD1 3.9Å; Y448-L504 HydrophobicContact CE2-CD1 3.88Å; Y448-L504 HydrophobicContact CE2-CD2 3.97Å; Y448-L504 HydrophobicContact CE2-CG 4.06Å; Y448-S534 WeakPolarHBondContact CE2-OG 3.39Å; Y448-H535 AromaticContact CZ-CD2 4Å; Y448-H535 WeakPolarHBondContact OH-CA 3.45Å; Y448-H535 PolarHBondContact OH-CD2 3.46Å; Y448-H535 PolarHBondContact OH-CE1 2.89Å; Y448-H535 PolarHBondContact OH-N 2.93Å; Y448-H535 PolarHBondContact OH-ND1 3.07Å; Y448-H535 PolarHBondContact OH-NE2 3.23Å; Y448-A538 HydrophobicContact CD1-CB 3.45Å; Y448-A538 VanDerWaalsContact CD1-CB 3.45Å; Y448-A538 HydrophobicContact CD2-CB 4.32Å; Y448-A538 HydrophobicContact CE1-CB 3.47Å; Y448-A538 VanDerWaalsContact CE1-CB 3.47Å; Y448-A538 HydrophobicContact CE2-CB 4.33Å; Y448-A538 HydrophobicContact CG-CB 3.92Å
449	A	93.2	Very high	92.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-62.9	-40.4	177.9	0	0	0	0	0	111.8	L389 V390 V393 I445 Y453	L389-A449 HydrophobicContact CB-CB 3.91Å; V390-A449 HydrophobicContact CG2-CB 4.31Å; V393-A449 HydrophobicContact CG2-CB 4.44Å; I445-A449 WeakPolarHBondContact O-CB 3.35Å; I445-A449 PolarHBondContact O-N 2.93Å; A449-Y453 VanDerWaalsContact O-CB 3.29Å; A449-Y453 WeakPolarHBondContact O-CB 3.4Å; A449-Y453 PolarHBondContact O-N 3.35Å
450	Y	90.8	Very high	93	Very high	54 Å²	54	24 Å²	24	21%	0.212	12%	0.119	C	C	.	.	H	α-helix	trans	-63.7	-46.4	174	176.2	-101.9	0	0	0	111.8	W8 G446 Y448 E452 Y453 V454	W8-Y450 HydrophobicContact CH2-CD2 4.42Å; W8-Y450 HydrophobicContact CZ2-CD2 4.33Å; G446-Y450 WeakPolarHBondContact O-CB 3.39Å; G446-Y450 PolarHBondContact O-N 3.3Å; Y448-Y450 VanDerWaalsContact C-N 3.34Å; Y448-Y450 PolarHBondContact O-N 3.15Å; Y450-E452 PolarHBondContact O-N 2.91Å; Y450-Y453 WeakPolarHBondContact O-CB 3.49Å; Y450-Y453 PolarHBondContact O-N 3.38Å; Y450-V454 HydrophobicContact CD2-CG1 4.35Å; Y450-V454 HydrophobicContact CE1-CG1 4.2Å; Y450-V454 HydrophobicContact CE2-CG1 3.81Å; Y450-V454 WeakPolarHBondContact O-CG2 3.44Å; Y450-V454 PolarHBondContact O-N 2.87Å
451	T	93.1	Very high	93.1	Very high	8 Å²	8	27.3 Å²	27.3	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-46	178.3	-61.4	0	0	0	0	111.4	I447 Y448 V454 F455 N541 F542	I447-T451 VanDerWaalsContact O-CB 3.32Å; I447-T451 WeakPolarHBondContact O-CB 3.42Å; I447-T451 PolarHBondContact O-N 2.96Å; I447-T451 PolarHBondContact O-OG1 3.18Å; Y448-T451 PolarHBondContact O-N 2.99Å; T451-V454 WeakPolarHBondContact O-CG2 3.16Å; T451-F455 WeakPolarHBondContact O-CB 3.04Å; T451-F455 PolarHBondContact O-N 3.5Å; T451-N541 HydrophobicContact CG2-CB 4.12Å; T451-F542 HydrophobicContact CG2-CB 3.63Å; T451-F542 HydrophobicContact CG2-CD2 4.23Å; T451-F542 HydrophobicContact CG2-CG 4.43Å
452	E	95.3	Very high	93.3	Very high	11 Å²	11	31 Å²	31	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-44.4	176.7	-169.7	-162.7	169.7	0	0	111.2	S388 L389 Y448 Y450 F455 R456	S388-E452 WeakPolarHBondContact CA-OE1 3.33Å; S388-E452 VanDerWaalsContact CB-OE1 3.23Å; S388-E452 WeakPolarHBondContact CB-OE1 3.27Å; L389-E452 WeakPolarHBondContact CB-OE2 3.32Å; L389-E452 PolarHBondContact N-OE2 3.47Å; Y448-E452 WeakPolarHBondContact O-CB 3.38Å; Y448-E452 PolarHBondContact O-N 3.2Å; Y450-E452 PolarHBondContact O-N 2.91Å; E452-F455 PolarHBondContact O-N 3.45Å; E452-R456 HydrophobicContact CG-CG 4.2Å; E452-R456 VanDerWaalsContact O-CB 3.31Å; E452-R456 WeakPolarHBondContact O-CB 3.05Å; E452-R456 VanDerWaalsContact O-CG 3.32Å; E452-R456 WeakPolarHBondContact O-CG 3.25Å; E452-R456 PolarHBondContact O-N 3.27Å; E452-R456 WeakPolarHBondContact OE1-CD 3.35Å; E452-R456 IonicContact OE1-CZ 3.91Å; E452-R456 IonicContact OE1-NH1 3.25Å; E452-R456 PolarHBondContact OE1-NH1 3.1Å
453	Y	93	Very high	93.4	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-55.7	-58.5	177.5	170.5	-94.3	0	0	0	111.3	Q4 S7 W8 A449 Y450 F455 R456 E457 S469	Q4-Y453 PolarHBondContact O-OH 2.73Å; S7-Y453 PolarHBondContact OG-OH 2.68Å; W8-Y453 HydrophobicContact CB-CD1 3.99Å; W8-Y453 HydrophobicContact CB-CD2 4.02Å; W8-Y453 HydrophobicContact CB-CE1 3.64Å; W8-Y453 HydrophobicContact CB-CE2 3.63Å; W8-Y453 HydrophobicContact CB-CG 4.21Å; W8-Y453 VanDerWaalsContact CB-CZ 3.45Å; W8-Y453 AromaticContact CD1-CD1 3.77Å; W8-Y453 AromaticContact CD1-CD2 3.3Å; W8-Y453 AromaticContact CD1-CE2 3.84Å; W8-Y453 AromaticContact CD1-CG 3.27Å; W8-Y453 AromaticContact CG-CD1 3.85Å; W8-Y453 HydrophobicContact CG-CD1 3.85Å; W8-Y453 AromaticContact CG-CD2 3.92Å; W8-Y453 HydrophobicContact CG-CD2 3.92Å; W8-Y453 HydrophobicContact CG-CE1 4.04Å; W8-Y453 HydrophobicContact CG-CE2 4.05Å; W8-Y453 AromaticContact CG-CG 3.83Å; W8-Y453 HydrophobicContact CG-CG 3.83Å; W8-Y453 AromaticContact NE1-CG 3.96Å; A449-Y453 VanDerWaalsContact O-CB 3.29Å; A449-Y453 WeakPolarHBondContact O-CB 3.4Å; A449-Y453 PolarHBondContact O-N 3.35Å; Y450-Y453 WeakPolarHBondContact O-CB 3.49Å; Y450-Y453 PolarHBondContact O-N 3.38Å; Y453-F455 VanDerWaalsContact C-N 3.3Å; Y453-F455 PolarHBondContact O-N 3.45Å; Y453-R456 PolarHBondContact O-N 3.37Å; Y453-E457 WeakPolarHBondContact CE1-OE2 3.49Å; Y453-E457 VanDerWaalsContact CZ-OE2 3.23Å; Y453-E457 VanDerWaalsContact O-CB 3.29Å; Y453-E457 WeakPolarHBondContact O-CB 3.31Å; Y453-E457 PolarHBondContact O-N 3.15Å; Y453-E457 PolarHBondContact OH-OE2 3.42Å; Y453-E457 VanDerWaalsContact OH-OE2 3.08Å; Y453-S469 VanDerWaalsContact CD2-OG 3.29Å; Y453-S469 WeakPolarHBondContact CD2-OG 3.21Å
454	V	92.2	Very high	93.5	Very high	9 Å²	9	33 Å²	33	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-35.5	-175.9	-60.9	0	0	0	0	112	Y450 T451 K458 Y545	Y450-V454 HydrophobicContact CD2-CG1 4.35Å; Y450-V454 HydrophobicContact CE1-CG1 4.2Å; Y450-V454 HydrophobicContact CE2-CG1 3.81Å; Y450-V454 WeakPolarHBondContact O-CG2 3.44Å; Y450-V454 PolarHBondContact O-N 2.87Å; T451-V454 WeakPolarHBondContact O-CG2 3.16Å; V454-K458 WeakPolarHBondContact O-CB 3.47Å; V454-K458 PolarHBondContact O-N 2.96Å; V454-Y545 HydrophobicContact CB-CD2 4.01Å; V454-Y545 HydrophobicContact CB-CE1 4.41Å; V454-Y545 HydrophobicContact CB-CE2 3.69Å; V454-Y545 HydrophobicContact CG2-CD1 3.8Å; V454-Y545 HydrophobicContact CG2-CD2 3.8Å; V454-Y545 HydrophobicContact CG2-CE1 3.82Å; V454-Y545 HydrophobicContact CG2-CE2 3.82Å; V454-Y545 HydrophobicContact CG2-CG 3.79Å; V454-Y545 WeakPolarHBondContact O-CD2 3.35Å
455	F	94.8	Very high	93.5	Very high	22 Å²	22	32.3 Å²	32.3	10%	0.096	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-51.8	176.4	177.3	-124.3	0	0	0	111.8	T451 E452 Y453 K458 L459 F493 F544 L548	T451-F455 WeakPolarHBondContact O-CB 3.04Å; T451-F455 PolarHBondContact O-N 3.5Å; E452-F455 PolarHBondContact O-N 3.45Å; Y453-F455 VanDerWaalsContact C-N 3.3Å; Y453-F455 PolarHBondContact O-N 3.45Å; F455-K458 PolarHBondContact O-N 2.05Å; F455-L459 HydrophobicContact CZ-CD2 4.44Å; F455-L459 WeakPolarHBondContact O-CB 3.4Å; F455-L459 PolarHBondContact O-N 3.03Å; F455-F493 HydrophobicContact CD1-CE1 4.11Å; F455-F493 HydrophobicContact CD1-CZ 4.29Å; F455-F493 AromaticContact CE1-CE1 3.86Å; F455-F493 HydrophobicContact CE1-CE1 3.86Å; F455-F493 AromaticContact CE1-CZ 3.86Å; F455-F493 HydrophobicContact CE1-CZ 3.86Å; F455-F544 HydrophobicContact CD2-CB 4.48Å; F455-F544 HydrophobicContact CE2-CB 3.88Å; F455-F544 HydrophobicContact CZ-CB 4.42Å; F455-L548 HydrophobicContact CD2-CD1 4.25Å; F455-L548 HydrophobicContact CE2-CD1 3.72Å
456	R	95.4	Very high	93.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.7	-34.6	-178	-71.3	179.2	69.1	170.6	4.1	112.5	R387 E452 Y453 K458 L459 A460 I467 A468 N490 F493	R387-R456 PolarHBondContact O-NH1 3.27Å; E452-R456 HydrophobicContact CG-CG 4.2Å; E452-R456 VanDerWaalsContact O-CB 3.31Å; E452-R456 WeakPolarHBondContact O-CB 3.05Å; E452-R456 VanDerWaalsContact O-CG 3.32Å; E452-R456 WeakPolarHBondContact O-CG 3.25Å; E452-R456 PolarHBondContact O-N 3.27Å; E452-R456 WeakPolarHBondContact OE1-CD 3.35Å; E452-R456 IonicContact OE1-CZ 3.91Å; E452-R456 IonicContact OE1-NH1 3.25Å; E452-R456 PolarHBondContact OE1-NH1 3.1Å; Y453-R456 PolarHBondContact O-N 3.37Å; R456-K458 VanDerWaalsContact C-N 3.33Å; R456-L459 PolarHBondContact O-N 3.27Å; R456-A460 VanDerWaalsContact O-CB 3.24Å; R456-A460 WeakPolarHBondContact O-CB 3.49Å; R456-A460 PolarHBondContact O-N 2.75Å; R456-I467 PolarHBondContact NE-O 2.65Å; R456-I467 PolarHBondContact NH2-O 3.24Å; R456-I467 VanDerWaalsContact NH2-O 3.15Å; R456-A468 PolarHBondContact NH2-O 3.43Å; R456-N490 PolarHBondContact NH2-OD1 3.33Å; R456-F493 HydrophobicContact CG-CD1 4.15Å; R456-F493 HydrophobicContact CG-CD2 4.37Å; R456-F493 HydrophobicContact CG-CE1 3.8Å; R456-F493 HydrophobicContact CG-CE2 4.03Å; R456-F493 HydrophobicContact CG-CG 4.44Å; R456-F493 HydrophobicContact CG-CZ 3.74Å
457	E	92.4	Very high	93.7	Very high	32 Å²	32	32.1 Å²	32.1	15%	0.15	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-42.3	175.5	-161.4	-164.6	158.2	0	0	111.1	Q4 Y453 K461	Q4-E457 WeakPolarHBondContact CB-OE1 3.28Å; Y453-E457 WeakPolarHBondContact CE1-OE2 3.49Å; Y453-E457 VanDerWaalsContact CZ-OE2 3.23Å; Y453-E457 VanDerWaalsContact O-CB 3.29Å; Y453-E457 WeakPolarHBondContact O-CB 3.31Å; Y453-E457 PolarHBondContact O-N 3.15Å; Y453-E457 PolarHBondContact OH-OE2 3.42Å; Y453-E457 VanDerWaalsContact OH-OE2 3.08Å; E457-K461 VanDerWaalsContact CD-NZ 3.32Å; E457-K461 WeakPolarHBondContact O-CG 3.4Å; E457-K461 PolarHBondContact O-N 3.26Å; E457-K461 IonicContact OE1-NZ 3.11Å; E457-K461 PolarHBondContact OE1-NZ 3.47Å
458	K	93.8	Very high	93.8	Very high	58 Å²	58	28.4 Å²	28.4	25%	0.252	14%	0.141	S	C	.	.	H	α-helix	trans	-66.5	-43	175.5	-167.5	168.3	-173.1	176.6	0	112	V454 F455 R456 K461 I462 Y545 L548	V454-K458 WeakPolarHBondContact O-CB 3.47Å; V454-K458 PolarHBondContact O-N 2.96Å; F455-K458 PolarHBondContact O-N 2.05Å; R456-K458 VanDerWaalsContact C-N 3.33Å; K458-K461 PolarHBondContact O-N 3Å; K458-I462 HydrophobicContact CG-CD1 4.1Å; K458-I462 WeakPolarHBondContact O-CG1 3.32Å; K458-I462 PolarHBondContact O-N 2.94Å; K458-Y545 HydrophobicContact CB-CD2 4.42Å; K458-Y545 HydrophobicContact CD-CD2 3.8Å; K458-Y545 HydrophobicContact CD-CE2 3.92Å; K458-Y545 PolarHBondContact NZ-O 2.8Å; K458-L548 HydrophobicContact CD-CB 4.05Å; K458-L548 WeakPolarHBondContact CE-O 3.09Å; K458-L548 WeakPolarHBondContact CE-OXT 3.37Å; K458-L548 PolarHBondContact NZ-O 3.43Å; K458-L548 PolarHBondContact NZ-OXT 3.43Å
459	L	94.5	Very high	93.7	Very high	28 Å²	28	28 Å²	28	15%	0.147	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-40.5	177.9	-167	63.1	0	0	0	112.1	F455 R456 K461 I462 L463 I467 F493 L548	F455-L459 HydrophobicContact CZ-CD2 4.44Å; F455-L459 WeakPolarHBondContact O-CB 3.4Å; F455-L459 PolarHBondContact O-N 3.03Å; R456-L459 PolarHBondContact O-N 3.27Å; L459-K461 VanDerWaalsContact C-N 3.3Å; L459-K461 PolarHBondContact O-N 3.45Å; L459-I462 PolarHBondContact O-N 3.42Å; L459-L463 HydrophobicContact CD1-CD1 3.78Å; L459-L463 HydrophobicContact CD1-CG 4.05Å; L459-L463 HydrophobicContact CD2-CD1 4.46Å; L459-L463 HydrophobicContact CG-CD1 3.83Å; L459-L463 HydrophobicContact CG-CG 4.33Å; L459-L463 WeakPolarHBondContact O-CB 3.22Å; L459-L463 WeakPolarHBondContact O-CG 3.5Å; L459-L463 PolarHBondContact O-N 3.47Å; L459-I467 HydrophobicContact CB-CD1 4.09Å; L459-I467 HydrophobicContact CD2-CD1 3.75Å; L459-I467 HydrophobicContact CG-CD1 3.56Å; L459-F493 HydrophobicContact CD2-CE2 4.26Å; L459-F493 HydrophobicContact CD2-CZ 4.05Å; L459-L548 HydrophobicContact CD1-CD1 4.4Å
460	A	94.5	Very high	93.5	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-41.1	175.3	0	0	0	0	0	112	R456 D464 A465 I467 A468	R456-A460 VanDerWaalsContact O-CB 3.24Å; R456-A460 WeakPolarHBondContact O-CB 3.49Å; R456-A460 PolarHBondContact O-N 2.75Å; A460-D464 VanDerWaalsContact O-CA 3.25Å; A460-D464 WeakPolarHBondContact O-CA 3.3Å; A460-D464 PolarHBondContact O-N 3.26Å; A460-A465 WeakPolarHBondContact CB-O 3.4Å; A460-A465 PolarHBondContact O-N 3.45Å; A460-I467 HydrophobicContact CB-CG1 3.93Å; A460-A468 HydrophobicContact CB-CB 4.08Å
461	K	92.8	Very high	93.4	Very high	86 Å²	86	30.9 Å²	30.9	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-68.7	-43.6	175.7	-68.4	-179.6	-172.9	117.8	0	112.8	Q4 E457 K458 L459 D464	Q4-K461 VanDerWaalsContact CD-CE 3.47Å; E457-K461 VanDerWaalsContact CD-NZ 3.32Å; E457-K461 WeakPolarHBondContact O-CG 3.4Å; E457-K461 PolarHBondContact O-N 3.26Å; E457-K461 IonicContact OE1-NZ 3.11Å; E457-K461 PolarHBondContact OE1-NZ 3.47Å; K458-K461 PolarHBondContact O-N 3Å; L459-K461 VanDerWaalsContact C-N 3.3Å; L459-K461 PolarHBondContact O-N 3.45Å; K461-D464 PolarHBondContact O-N 2.82Å
462	I	94.3	Very high	93.1	Very high	95 Å²	95	32 Å²	32	49%	0.487	17%	0.166	S	C	.	.	H	α-helix	trans	-66.1	-43	-179.3	-68.6	168.3	0	0	0	111.2	K458 L459 D464 L548	K458-I462 HydrophobicContact CG-CD1 4.1Å; K458-I462 WeakPolarHBondContact O-CG1 3.32Å; K458-I462 PolarHBondContact O-N 2.94Å; L459-I462 PolarHBondContact O-N 3.42Å; I462-D464 VanDerWaalsContact C-N 3.32Å; I462-L548 HydrophobicContact CD1-CB 4.11Å; I462-L548 HydrophobicContact CD1-CD1 4.42Å; I462-L548 HydrophobicContact CD1-CD2 4.23Å; I462-L548 HydrophobicContact CD1-CG 4.49Å
463	L	94.4	Very high	92.6	Very high	70 Å²	70	34 Å²	34	37%	0.366	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.5	-178.2	-59.6	-177.9	0	0	0	113.4	L459 A465 I467 N480 W485	L459-L463 HydrophobicContact CD1-CD1 3.78Å; L459-L463 HydrophobicContact CD1-CG 4.05Å; L459-L463 HydrophobicContact CD2-CD1 4.46Å; L459-L463 HydrophobicContact CG-CD1 3.83Å; L459-L463 HydrophobicContact CG-CG 4.33Å; L459-L463 WeakPolarHBondContact O-CB 3.22Å; L459-L463 WeakPolarHBondContact O-CG 3.5Å; L459-L463 PolarHBondContact O-N 3.47Å; L463-A465 VanDerWaalsContact C-N 3.32Å; L463-A465 HydrophobicContact CB-CB 4.1Å; L463-A465 PolarHBondContact O-N 3.44Å; L463-I467 HydrophobicContact CD1-CD1 3.78Å; L463-N480 PolarHBondContact O-ND2 3.23Å; L463-W485 HydrophobicContact CB-CH2 3.97Å; L463-W485 HydrophobicContact CD1-CH2 4.05Å; L463-W485 HydrophobicContact CD1-CZ3 4.03Å
464	D	94.5	Very high	92.1	Very high	67 Å²	67	42.4 Å²	42.4	36%	0.358	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	54.6	-174.3	-167	31.4	0	0	0	112	A460 K461 I462 H478 S479 N480	A460-D464 VanDerWaalsContact O-CA 3.25Å; A460-D464 WeakPolarHBondContact O-CA 3.3Å; A460-D464 PolarHBondContact O-N 3.26Å; K461-D464 PolarHBondContact O-N 2.82Å; I462-D464 VanDerWaalsContact C-N 3.32Å; D464-H478 VanDerWaalsContact OD1-CA 3.31Å; D464-H478 WeakPolarHBondContact OD1-CA 3.36Å; D464-H478 IonicContact OD1-CD2 3.95Å; D464-H478 PolarHBondContact OD1-CD2 3.37Å; D464-S479 PolarHBondContact O-N 3.11Å; D464-S479 PolarHBondContact OD1-N 3.43Å; D464-S479 WeakPolarHBondContact OD2-CB 3.13Å; D464-S479 PolarHBondContact OD2-N 3.07Å; D464-N480 WeakPolarHBondContact O-CB 3.29Å; D464-N480 PolarHBondContact O-N 3.03Å; D464-N480 PolarHBondContact O-ND2 3.43Å
465	A	94.7	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-142.2	149.8	-165.5	0	0	0	0	0	114.4	A460 L463 I467 N480 W485 V486	A460-A465 WeakPolarHBondContact CB-O 3.4Å; A460-A465 PolarHBondContact O-N 3.45Å; L463-A465 VanDerWaalsContact C-N 3.32Å; L463-A465 HydrophobicContact CB-CB 4.1Å; L463-A465 PolarHBondContact O-N 3.44Å; A465-I467 HydrophobicContact CB-CG1 4.32Å; A465-I467 HydrophobicContact CB-CG2 4.4Å; A465-I467 PolarHBondContact O-N 3.49Å; A465-N480 WeakPolarHBondContact CA-O 3.4Å; A465-N480 HydrophobicContact CB-CB 3.74Å; A465-W485 HydrophobicContact CB-CH2 3.41Å; A465-W485 VanDerWaalsContact CB-CH2 3.41Å; A465-W485 HydrophobicContact CB-CZ2 3.88Å; A465-W485 HydrophobicContact CB-CZ3 4.34Å; A465-V486 HydrophobicContact CB-CG2 3.99Å
466	C	94.2	Very high	91.4	Very high	17 Å²	17	46.8 Å²	46.8	12%	0.115	25%	0.253	C	S	.	.	S	Bend	trans	-76.7	55	179.7	-67.3	0	0	0	0	114	R387 C472 C476 N480 V486 N490	R387-C466 PolarHBondContact NH2-O 2.9Å; C466-C472 HydrophobicContact CB-CB 4.4Å; C466-C472 VanDerWaalsContact SG-SG 3.64Å; C466-C476 VanDerWaalsContact SG-SG 3.66Å; C466-N480 PolarHBondContact N-O 3.37Å; C466-N480 VanDerWaalsContact N-O 3.1Å; C466-V486 HydrophobicContact CB-CG1 4.2Å; C466-N490 PolarHBondContact O-ND2 3.36Å; C466-N490 VanDerWaalsContact O-ND2 3.08Å
467	I	94.7	Very high	91.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.294	C	S	.	.			trans	-112.1	5.6	-179.4	59.8	173.5	0	0	0	113.9	R456 L459 A460 L463 A465 W485 V486 C489 N490	R456-I467 PolarHBondContact NE-O 2.65Å; R456-I467 PolarHBondContact NH2-O 3.24Å; R456-I467 VanDerWaalsContact NH2-O 3.15Å; L459-I467 HydrophobicContact CB-CD1 4.09Å; L459-I467 HydrophobicContact CD2-CD1 3.75Å; L459-I467 HydrophobicContact CG-CD1 3.56Å; A460-I467 HydrophobicContact CB-CG1 3.93Å; L463-I467 HydrophobicContact CD1-CD1 3.78Å; A465-I467 HydrophobicContact CB-CG1 4.32Å; A465-I467 HydrophobicContact CB-CG2 4.4Å; A465-I467 PolarHBondContact O-N 3.49Å; I467-W485 HydrophobicContact CG2-CZ3 4.48Å; I467-V486 HydrophobicContact CG2-CB 4.34Å; I467-V486 HydrophobicContact CG2-CG1 3.78Å; I467-V486 HydrophobicContact CG2-CG2 4.45Å; I467-C489 HydrophobicContact CG2-CB 3.99Å; I467-N490 WeakPolarHBondContact CA-OD1 3.01Å
468	A	93.4	Very high	91	Very high	18 Å²	18	53.3 Å²	53.3	15%	0.149	30%	0.296	C	S	.	.	S	Bend	trans	-55.7	157.2	173.6	0	0	0	0	0	111.2	R387 R456 A460 R470	R387-A468 PolarHBondContact NE-O 3.34Å; R387-A468 VanDerWaalsContact NE-O 3.07Å; R387-A468 PolarHBondContact NH2-O 2.8Å; R456-A468 PolarHBondContact NH2-O 3.43Å; A460-A468 HydrophobicContact CB-CB 4.08Å; A468-R470 CarbonylContact C-O 3.51Å; A468-R470 PolarHBondContact O-N 2.86Å
469	S	91.7	Very high	90.9	Very high	2 Å²	2	55 Å²	55	1%	0.014	32%	0.315	C	S	.	.	S	Bend	trans	-59.1	-29.8	-177.7	59.1	0	0	0	0	113	S388 Y453	S388-S469 WeakPolarHBondContact CB-O 3.36Å; S388-S469 PolarHBondContact OG-O 3.19Å; Y453-S469 VanDerWaalsContact CD2-OG 3.29Å; Y453-S469 WeakPolarHBondContact CD2-OG 3.21Å
470	R	88.6	Confident	90.7	Very high	53 Å²	53	55.7 Å²	55.7	20%	0.2	32%	0.319	C	S	.	.	S	Bend	trans	-97.1	148.3	169.4	-64.9	-66.1	178.2	-171.9	-5.7	110.6	V390 E391 I394 A468	V390-R470 PolarHBondContact O-NH2 2.77Å; E391-R470 VanDerWaalsContact CG-NH1 3.34Å; I394-R470 VanDerWaalsContact CG1-NH2 3.32Å; A468-R470 CarbonylContact C-O 3.51Å; A468-R470 PolarHBondContact O-N 2.86Å
471	P	88.4	Confident	90.3	Very high	63 Å²	63	59.3 Å²	59.3	41%	0.409	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-54.3	140.8	164.7	-20.3	32.6	0	0	0	109.7
472	C	88	Confident	89.9	Confident	32 Å²	32	63 Å²	63	22%	0.216	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-76.5	146.5	172.9	-64	0	0	0	0	109.5	C466 C476	C466-C472 HydrophobicContact CB-CB 4.4Å; C466-C472 VanDerWaalsContact SG-SG 3.64Å; C472-C476 HydrophobicContact CB-CB 3.7Å
473	P	85.4	Confident	89.7	Confident	54 Å²	54	60.3 Å²	60.3	35%	0.351	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.4	156.2	170.7	27.3	-34.8	0	0	0	110.3	S475 C476	P473-S475 PolarHBondContact O-N 2.77Å; P473-S475 VanDerWaalsContact O-N 3.14Å; P473-C476 HydrophobicContact CG-CB 4.35Å; P473-C476 WeakPolarHBondContact O-CB 3.46Å; P473-C476 PolarHBondContact O-N 3.41Å; P473-C476 PolarHBondContact O-SG 3.39Å
474	E	81.4	Confident	89.7	Confident	183 Å²	183	61.3 Å²	61.3	86%	0.855	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-35.3	-179.3	-61.1	-167.7	155.8	0	0	112.3	C476 K481	E474-C476 PolarHBondContact O-N 2.88Å; E474-K481 PolarHBondContact O-NZ 2.89Å
475	S	85.7	Confident	89.7	Confident	103 Å²	103	62.9 Å²	62.9	72%	0.72	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	5.6	178.3	63.5	0	0	0	0	114.8	P473	P473-S475 PolarHBondContact O-N 2.77Å; P473-S475 VanDerWaalsContact O-N 3.14Å
476	C	86.8	Confident	89.7	Confident	19 Å²	19	63.1 Å²	63.1	13%	0.128	36%	0.363	C	S	.	.			trans	-60.3	153.5	-175.5	66.1	0	0	0	0	113.7	C466 C472 P473 E474 K481	C466-C476 VanDerWaalsContact SG-SG 3.66Å; C472-C476 HydrophobicContact CB-CB 3.7Å; P473-C476 HydrophobicContact CG-CB 4.35Å; P473-C476 WeakPolarHBondContact O-CB 3.46Å; P473-C476 PolarHBondContact O-N 3.41Å; P473-C476 PolarHBondContact O-SG 3.39Å; E474-C476 PolarHBondContact O-N 2.88Å; C476-K481 WeakPolarHBondContact O-CE 3.31Å; C476-K481 PolarHBondContact O-NZ 3.25Å; C476-K481 WeakPolarHBondContact SG-CE 3.21Å
477	C	89.5	Confident	89.7	Confident	129 Å²	129	69.4 Å²	69.4	87%	0.872	39%	0.385	S	S	*	.			trans	-91.5	-1.8	-175.7	-63.6	0	0	0	0	114.3
478	H	90.5	Very high	89.7	Confident	40 Å²	40	77.2 Å²	77.2	19%	0.185	42%	0.415	C	S	.	.			trans	-64.5	135.3	-177.9	-65	122.9	0	0	0	111.8	D464 K481	D464-H478 VanDerWaalsContact OD1-CA 3.31Å; D464-H478 WeakPolarHBondContact OD1-CA 3.36Å; D464-H478 IonicContact OD1-CD2 3.95Å; D464-H478 PolarHBondContact OD1-CD2 3.37Å; H478-K481 VanDerWaalsContact O-CE 3.29Å; H478-K481 WeakPolarHBondContact O-CE 3.38Å; H478-K481 WeakPolarHBondContact O-CG 3.37Å
479	S	90.8	Very high	89.8	Confident	93 Å²	93	77.8 Å²	77.8	65%	0.65	42%	0.418	S	S	*	.	S	Bend	trans	-67.5	-41.7	175.3	-178.2	0	0	0	0	112.4	D464 K481	D464-S479 PolarHBondContact O-N 3.11Å; D464-S479 PolarHBondContact OD1-N 3.43Å; D464-S479 WeakPolarHBondContact OD2-CB 3.13Å; D464-S479 PolarHBondContact OD2-N 3.07Å; S479-K481 PolarHBondContact O-N 3.08Å
480	N	89.9	Confident	90	Very high	43 Å²	43	78.5 Å²	78.5	23%	0.23	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-92.6	77.8	180	-68.2	-75.3	0	0	0	111.7	L463 D464 A465 C466 S483 W485 V486	L463-N480 PolarHBondContact O-ND2 3.23Å; D464-N480 WeakPolarHBondContact O-CB 3.29Å; D464-N480 PolarHBondContact O-N 3.03Å; D464-N480 PolarHBondContact O-ND2 3.43Å; A465-N480 WeakPolarHBondContact CA-O 3.4Å; A465-N480 HydrophobicContact CB-CB 3.74Å; C466-N480 PolarHBondContact N-O 3.37Å; C466-N480 VanDerWaalsContact N-O 3.1Å; N480-S483 PolarHBondContact OD1-OG 2.96Å; N480-S483 VanDerWaalsContact OD1-OG 3.13Å; N480-W485 HydrophobicContact CB-CZ2 3.77Å; N480-V486 HydrophobicContact CB-CG2 4Å
481	K	87.2	Confident	90.4	Very high	78 Å²	78	78.1 Å²	78.1	34%	0.339	43%	0.425	S	S	.	.	S	Bend	trans	-83.4	-56.4	175.7	-54.5	-171.9	179.7	-170.6	0	112.7	E474 C476 H478 S479	E474-K481 PolarHBondContact O-NZ 2.89Å; C476-K481 WeakPolarHBondContact O-CE 3.31Å; C476-K481 PolarHBondContact O-NZ 3.25Å; C476-K481 WeakPolarHBondContact SG-CE 3.21Å; H478-K481 VanDerWaalsContact O-CE 3.29Å; H478-K481 WeakPolarHBondContact O-CE 3.38Å; H478-K481 WeakPolarHBondContact O-CG 3.37Å; S479-K481 PolarHBondContact O-N 3.08Å
482	N	83.7	Confident	90.8	Very high	164 Å²	164	78 Å²	78	88%	0.877	43%	0.429	S	S	*	.	S	Bend	trans	-112.1	16.3	-168.1	-62.6	-15.2	0	0	0	113.3
483	S	90.9	Very high	91.2	Very high	39 Å²	39	77.5 Å²	77.5	27%	0.273	42%	0.423	S	S	.	.			trans	-67.5	136.1	178.1	-57.8	0	0	0	0	110.3	N480 W485 V486 Y487	N480-S483 PolarHBondContact OD1-OG 2.96Å; N480-S483 VanDerWaalsContact OD1-OG 3.13Å; S483-W485 VanDerWaalsContact CB-CD1 3.49Å; S483-W485 PolarHBondContact O-N 3.43Å; S483-W485 VanDerWaalsContact O-N 3.13Å; S483-V486 VanDerWaalsContact O-CB 3.3Å; S483-V486 WeakPolarHBondContact O-CB 3.32Å; S483-V486 PolarHBondContact O-N 3.45Å; S483-Y487 PolarHBondContact O-N 2.93Å
484	S	93.5	Very high	91.7	Very high	90 Å²	90	76.1 Å²	76.1	63%	0.629	42%	0.415	S	S	*	.	H	α-helix	trans	-58.1	-32	-176.6	61.7	0	0	0	0	113.8	V486 Y487 W488	S484-V486 VanDerWaalsContact C-N 3.3Å; S484-V486 PolarHBondContact O-N 2.99Å; S484-Y487 WeakPolarHBondContact O-CB 3.17Å; S484-Y487 PolarHBondContact O-N 3.41Å; S484-W488 PolarHBondContact O-N 3.27Å; S484-W488 VanDerWaalsContact O-N 3.16Å
485	W	95.3	Very high	92.4	Very high	101 Å²	101	71 Å²	71	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-67.4	-29	176.8	73.3	-98.2	0	0	0	112.8	L463 A465 I467 N480 S483 W488 C489	L463-W485 HydrophobicContact CB-CH2 3.97Å; L463-W485 HydrophobicContact CD1-CH2 4.05Å; L463-W485 HydrophobicContact CD1-CZ3 4.03Å; A465-W485 HydrophobicContact CB-CH2 3.41Å; A465-W485 VanDerWaalsContact CB-CH2 3.41Å; A465-W485 HydrophobicContact CB-CZ2 3.88Å; A465-W485 HydrophobicContact CB-CZ3 4.34Å; I467-W485 HydrophobicContact CG2-CZ3 4.48Å; N480-W485 HydrophobicContact CB-CZ2 3.77Å; S483-W485 VanDerWaalsContact CB-CD1 3.49Å; S483-W485 PolarHBondContact O-N 3.43Å; S483-W485 VanDerWaalsContact O-N 3.13Å; W485-W488 PolarHBondContact O-N 3.15Å; W485-C489 VanDerWaalsContact O-CB 3.25Å; W485-C489 WeakPolarHBondContact O-CB 3.49Å; W485-C489 PolarHBondContact O-N 2.67Å
486	V	94.9	Very high	92.9	Very high	5 Å²	5	68 Å²	68	3%	0.03	37%	0.374	C	S	.	.	H	α-helix	trans	-67.1	-41.5	175	172.1	0	0	0	0	110	A465 C466 I467 N480 S483 S484 C489 N490	A465-V486 HydrophobicContact CB-CG2 3.99Å; C466-V486 HydrophobicContact CB-CG1 4.2Å; I467-V486 HydrophobicContact CG2-CB 4.34Å; I467-V486 HydrophobicContact CG2-CG1 3.78Å; I467-V486 HydrophobicContact CG2-CG2 4.45Å; N480-V486 HydrophobicContact CB-CG2 4Å; S483-V486 VanDerWaalsContact O-CB 3.3Å; S483-V486 WeakPolarHBondContact O-CB 3.32Å; S483-V486 PolarHBondContact O-N 3.45Å; S484-V486 VanDerWaalsContact C-N 3.3Å; S484-V486 PolarHBondContact O-N 2.99Å; V486-C489 PolarHBondContact O-N 3.36Å; V486-N490 PolarHBondContact O-N 3.45Å; V486-N490 PolarHBondContact O-ND2 3.35Å
487	Y	93.2	Very high	93.4	Very high	148 Å²	148	67.1 Å²	67.1	58%	0.58	37%	0.368	S	S	*	.	H	α-helix	trans	-58	-53.8	172.9	172.9	-94.6	0	0	0	111.1	S483 S484 C489 N490 V491	S483-Y487 PolarHBondContact O-N 2.93Å; S484-Y487 WeakPolarHBondContact O-CB 3.17Å; S484-Y487 PolarHBondContact O-N 3.41Å; Y487-C489 VanDerWaalsContact C-N 3.31Å; Y487-C489 PolarHBondContact O-N 2.78Å; Y487-N490 PolarHBondContact O-N 3.22Å; Y487-N490 VanDerWaalsContact O-N 3.14Å; Y487-V491 HydrophobicContact CD1-CG2 4.2Å; Y487-V491 HydrophobicContact CE1-CG2 3.77Å; Y487-V491 HydrophobicContact CE2-CG2 4.25Å; Y487-V491 WeakPolarHBondContact O-CG2 3.48Å; Y487-V491 PolarHBondContact O-N 3.46Å
488	W	95.6	Very high	93.7	Very high	165 Å²	165	63 Å²	63	63%	0.625	34%	0.337	S	S	*	.	H	α-helix	trans	-64	-33.4	179.9	-71.9	115.6	0	0	0	113.6	S484 W485 V491 A492	S484-W488 PolarHBondContact O-N 3.27Å; S484-W488 VanDerWaalsContact O-N 3.16Å; W485-W488 PolarHBondContact O-N 3.15Å; W488-V491 HydrophobicContact CE3-CB 4.34Å; W488-V491 HydrophobicContact CE3-CG1 4.33Å; W488-V491 HydrophobicContact CZ3-CG1 4.44Å; W488-V491 PolarHBondContact O-N 2.97Å; W488-A492 WeakPolarHBondContact O-CB 3.45Å; W488-A492 PolarHBondContact O-N 3.45Å
489	C	95.7	Very high	93.9	Very high	30 Å²	30	63.3 Å²	63.3	20%	0.203	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-44.5	173.5	-174.1	0	0	0	0	111.3	I467 W485 V486 Y487 A492 F493	I467-C489 HydrophobicContact CG2-CB 3.99Å; W485-C489 VanDerWaalsContact O-CB 3.25Å; W485-C489 WeakPolarHBondContact O-CB 3.49Å; W485-C489 PolarHBondContact O-N 2.67Å; V486-C489 PolarHBondContact O-N 3.36Å; Y487-C489 VanDerWaalsContact C-N 3.31Å; Y487-C489 PolarHBondContact O-N 2.78Å; C489-A492 WeakPolarHBondContact O-CB 3.33Å; C489-A492 PolarHBondContact O-N 3.34Å; C489-F493 VanDerWaalsContact O-CD2 3.24Å; C489-F493 WeakPolarHBondContact O-CD2 3.24Å; C489-F493 PolarHBondContact O-N 3.4Å; C489-F493 VanDerWaalsContact SG-CE2 3.6Å
490	N	95.6	Very high	94.1	Very high	17 Å²	17	59.2 Å²	59.2	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-41.3	175	-72.8	-46.1	0	0	0	112	R387 R456 C466 I467 V486 Y487 A492 F493 S494	R387-N490 VanDerWaalsContact CZ-OD1 3.3Å; R387-N490 PolarHBondContact NH1-ND2 3.01Å; R387-N490 VanDerWaalsContact NH1-ND2 3.15Å; R387-N490 PolarHBondContact NH1-OD1 3.48Å; R387-N490 PolarHBondContact NH2-ND2 3.08Å; R387-N490 PolarHBondContact NH2-OD1 3.14Å; R456-N490 PolarHBondContact NH2-OD1 3.33Å; C466-N490 PolarHBondContact O-ND2 3.36Å; C466-N490 VanDerWaalsContact O-ND2 3.08Å; I467-N490 WeakPolarHBondContact CA-OD1 3.01Å; V486-N490 PolarHBondContact O-N 3.45Å; V486-N490 PolarHBondContact O-ND2 3.35Å; Y487-N490 PolarHBondContact O-N 3.22Å; Y487-N490 VanDerWaalsContact O-N 3.14Å; N490-A492 VanDerWaalsContact C-N 3.31Å; N490-A492 PolarHBondContact O-N 2.94Å; N490-F493 PolarHBondContact O-N 3.45Å; N490-S494 PolarHBondContact O-N 2.82Å; N490-S494 PolarHBondContact O-OG 2.91Å
491	V	95.8	Very high	94.3	Very high	45 Å²	45	58 Å²	58	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-42.4	173.2	172	0	0	0	0	111.1	Y487 W488 F493 S494 C495	Y487-V491 HydrophobicContact CD1-CG2 4.2Å; Y487-V491 HydrophobicContact CE1-CG2 3.77Å; Y487-V491 HydrophobicContact CE2-CG2 4.25Å; Y487-V491 WeakPolarHBondContact O-CG2 3.48Å; Y487-V491 PolarHBondContact O-N 3.46Å; W488-V491 HydrophobicContact CE3-CB 4.34Å; W488-V491 HydrophobicContact CE3-CG1 4.33Å; W488-V491 HydrophobicContact CZ3-CG1 4.44Å; W488-V491 PolarHBondContact O-N 2.97Å; V491-F493 PolarHBondContact O-N 3.25Å; V491-S494 WeakPolarHBondContact O-CB 3.33Å; V491-S494 PolarHBondContact O-N 3.15Å; V491-C495 PolarHBondContact O-N 3.24Å; V491-C495 PolarHBondContact O-SG 2.84Å; V491-C495 VanDerWaalsContact O-SG 3.36Å
492	A	96.6	Very high	94.6	Very high	60 Å²	60	54.4 Å²	54.4	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-42.2	176.7	0	0	0	0	0	112.3	W488 C489 N490 C495 L496	W488-A492 WeakPolarHBondContact O-CB 3.45Å; W488-A492 PolarHBondContact O-N 3.45Å; C489-A492 WeakPolarHBondContact O-CB 3.33Å; C489-A492 PolarHBondContact O-N 3.34Å; N490-A492 VanDerWaalsContact C-N 3.31Å; N490-A492 PolarHBondContact O-N 2.94Å; A492-C495 PolarHBondContact O-N 3.43Å; A492-L496 PolarHBondContact O-N 3.37Å
493	F	96.8	Very high	95	Very high	22 Å²	22	46.6 Å²	46.6	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-37.8	173.3	-78.5	-63.5	0	0	0	112.6	F455 R456 L459 C489 N490 V491 L496 A497	F455-F493 HydrophobicContact CD1-CE1 4.11Å; F455-F493 HydrophobicContact CD1-CZ 4.29Å; F455-F493 AromaticContact CE1-CE1 3.86Å; F455-F493 HydrophobicContact CE1-CE1 3.86Å; F455-F493 AromaticContact CE1-CZ 3.86Å; F455-F493 HydrophobicContact CE1-CZ 3.86Å; R456-F493 HydrophobicContact CG-CD1 4.15Å; R456-F493 HydrophobicContact CG-CD2 4.37Å; R456-F493 HydrophobicContact CG-CE1 3.8Å; R456-F493 HydrophobicContact CG-CE2 4.03Å; R456-F493 HydrophobicContact CG-CG 4.44Å; R456-F493 HydrophobicContact CG-CZ 3.74Å; L459-F493 HydrophobicContact CD2-CE2 4.26Å; L459-F493 HydrophobicContact CD2-CZ 4.05Å; C489-F493 VanDerWaalsContact O-CD2 3.24Å; C489-F493 WeakPolarHBondContact O-CD2 3.24Å; C489-F493 PolarHBondContact O-N 3.4Å; C489-F493 VanDerWaalsContact SG-CE2 3.6Å; N490-F493 PolarHBondContact O-N 3.45Å; V491-F493 PolarHBondContact O-N 3.25Å; F493-L496 HydrophobicContact CD1-CD2 4.44Å; F493-L496 WeakPolarHBondContact O-CB 3.2Å; F493-L496 PolarHBondContact O-N 3.48Å; F493-A497 PolarHBondContact O-N 2.65Å
494	S	96.6	Very high	95.1	Very high	25 Å²	25	45 Å²	45	18%	0.175	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-46.3	172.4	-69.1	0	0	0	0	112	P386 N490 V491 L496 A497 I498	P386-S494 WeakPolarHBondContact O-CA 3.36Å; P386-S494 WeakPolarHBondContact O-CB 3.41Å; P386-S494 PolarHBondContact O-OG 2.87Å; N490-S494 PolarHBondContact O-N 2.82Å; N490-S494 PolarHBondContact O-OG 2.91Å; V491-S494 WeakPolarHBondContact O-CB 3.33Å; V491-S494 PolarHBondContact O-N 3.15Å; S494-L496 VanDerWaalsContact C-N 3.29Å; S494-L496 PolarHBondContact O-N 3.07Å; S494-A497 PolarHBondContact O-N 3.43Å; S494-I498 WeakPolarHBondContact O-CG1 3.45Å; S494-I498 PolarHBondContact O-N 3.02Å
495	C	96.5	Very high	94.7	Very high	76 Å²	76	41.3 Å²	41.3	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-60.3	-39.3	174.6	-68.7	0	0	0	0	111.9	V491 A492 I498 F499	V491-C495 PolarHBondContact O-N 3.24Å; V491-C495 PolarHBondContact O-SG 2.84Å; V491-C495 VanDerWaalsContact O-SG 3.36Å; A492-C495 PolarHBondContact O-N 3.43Å; C495-I498 PolarHBondContact O-N 3.37Å; C495-F499 WeakPolarHBondContact O-CB 3.24Å; C495-F499 PolarHBondContact O-N 3.41Å
496	L	96.4	Very high	94.2	Very high	39 Å²	39	37 Å²	37	20%	0.204	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-40.9	175.8	179.8	63.1	0	0	0	112.1	A492 F493 S494 F499 H500 V537	A492-L496 PolarHBondContact O-N 3.37Å; F493-L496 HydrophobicContact CD1-CD2 4.44Å; F493-L496 WeakPolarHBondContact O-CB 3.2Å; F493-L496 PolarHBondContact O-N 3.48Å; S494-L496 VanDerWaalsContact C-N 3.29Å; S494-L496 PolarHBondContact O-N 3.07Å; L496-F499 HydrophobicContact CD1-CD1 4.04Å; L496-F499 WeakPolarHBondContact O-CB 3.47Å; L496-F499 PolarHBondContact O-N 2.95Å; L496-H500 PolarHBondContact O-CD2 3.42Å; L496-H500 PolarHBondContact O-N 2.89Å; L496-V537 HydrophobicContact CD1-CG1 3.68Å
497	A	96.2	Very high	93.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-44.9	174.2	0	0	0	0	0	111.5	P386 L389 F493 S494 F499 H500 L501	P386-A497 HydrophobicContact CG-CB 3.89Å; L389-A497 HydrophobicContact CD2-CB 4.05Å; L389-A497 HydrophobicContact CG-CB 4.06Å; F493-A497 PolarHBondContact O-N 2.65Å; S494-A497 PolarHBondContact O-N 3.43Å; A497-F499 VanDerWaalsContact C-N 3.31Å; A497-F499 PolarHBondContact O-N 3.39Å; A497-H500 PolarHBondContact O-N 3.42Å; A497-L501 WeakPolarHBondContact O-CG 3.31Å; A497-L501 PolarHBondContact O-N 2.71Å
498	I	95.3	Very high	92.7	Very high	41 Å²	41	30.3 Å²	30.3	21%	0.21	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-42.3	175.1	-67.6	167.4	0	0	0	111.1	Y322 P386 S494 C495 L501 A502	Y322-I498 HydrophobicContact CD2-CG2 4.12Å; Y322-I498 HydrophobicContact CE2-CG2 3.78Å; P386-I498 HydrophobicContact CG-CG1 4.34Å; S494-I498 WeakPolarHBondContact O-CG1 3.45Å; S494-I498 PolarHBondContact O-N 3.02Å; C495-I498 PolarHBondContact O-N 3.37Å; I498-L501 PolarHBondContact O-N 3.15Å; I498-A502 PolarHBondContact O-N 2.77Å
499	F	95	Very high	91.5	Very high	48 Å²	48	24 Å²	24	21%	0.211	15%	0.146	C	C	.	.	H	α-helix	trans	-59.2	-47	175.1	164.5	-95.4	0	0	0	112.1	W318 C495 L496 A497 L501 A502 Y503 L533 V537	W318-F499 HydrophobicContact CD2-CE2 4.44Å; W318-F499 HydrophobicContact CE3-CD2 4.13Å; W318-F499 HydrophobicContact CE3-CE2 4.04Å; W318-F499 AromaticContact CH2-CD2 3.91Å; W318-F499 HydrophobicContact CH2-CD2 3.91Å; W318-F499 AromaticContact CH2-CE2 3.1Å; W318-F499 HydrophobicContact CH2-CE2 3.1Å; W318-F499 AromaticContact CH2-CZ 3.55Å; W318-F499 HydrophobicContact CH2-CZ 3.55Å; W318-F499 AromaticContact CZ2-CE2 3.58Å; W318-F499 HydrophobicContact CZ2-CE2 3.58Å; W318-F499 HydrophobicContact CZ2-CZ 4.11Å; W318-F499 AromaticContact CZ3-CD2 3.65Å; W318-F499 HydrophobicContact CZ3-CD2 3.65Å; W318-F499 AromaticContact CZ3-CE2 3.36Å; W318-F499 HydrophobicContact CZ3-CE2 3.36Å; W318-F499 HydrophobicContact CZ3-CZ 4.12Å; C495-F499 WeakPolarHBondContact O-CB 3.24Å; C495-F499 PolarHBondContact O-N 3.41Å; L496-F499 HydrophobicContact CD1-CD1 4.04Å; L496-F499 WeakPolarHBondContact O-CB 3.47Å; L496-F499 PolarHBondContact O-N 2.95Å; A497-F499 VanDerWaalsContact C-N 3.31Å; A497-F499 PolarHBondContact O-N 3.39Å; F499-L501 VanDerWaalsContact C-N 3.34Å; F499-L501 PolarHBondContact O-N 2.99Å; F499-A502 PolarHBondContact O-N 3.35Å; F499-Y503 PolarHBondContact O-N 3.18Å; F499-Y503 VanDerWaalsContact O-N 3.11Å; F499-L533 HydrophobicContact CE2-CD2 4.07Å; F499-L533 HydrophobicContact CZ-CB 4.25Å; F499-L533 HydrophobicContact CZ-CD2 3.83Å; F499-L533 HydrophobicContact CZ-CG 3.89Å; F499-V537 HydrophobicContact CE1-CG2 4.37Å
500	H	95.8	Very high	89.8	Confident	7 Å²	7	26.5 Å²	26.5	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-41	175.1	-73.5	-52	0	0	0	112	L389 Y448 L496 A497 Y503 L504 S534	L389-H500 HydrophobicContact CD1-CB 4.11Å; L389-H500 HydrophobicContact CD2-CB 4.23Å; Y448-H500 HydrophobicContact CD2-CB 4.21Å; Y448-H500 AromaticContact CD2-CG 3.96Å; Y448-H500 AromaticContact CD2-ND1 3.77Å; Y448-H500 AromaticContact CE2-ND1 3.69Å; L496-H500 PolarHBondContact O-CD2 3.42Å; L496-H500 PolarHBondContact O-N 2.89Å; A497-H500 PolarHBondContact O-N 3.42Å; H500-Y503 PolarHBondContact O-N 3.31Å; H500-L504 WeakPolarHBondContact O-CB 3.4Å; H500-L504 VanDerWaalsContact O-CG 3.3Å; H500-L504 WeakPolarHBondContact O-CG 3.33Å; H500-L504 PolarHBondContact O-N 3.1Å; H500-S534 PolarHBondContact CE1-O 3.16Å; H500-S534 PolarHBondContact ND1-OG 3.26Å
501	L	93.7	Very high	88.4	Confident	16 Å²	16	27.6 Å²	27.6	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-43.8	178	-69.4	177.6	0	0	0	112.8	P386 L389 V392 I445 A497 I498 F499 Y503 L504 A505	P386-L501 HydrophobicContact CG-CD1 4.43Å; L389-L501 HydrophobicContact CD2-CD2 4.05Å; L389-L501 HydrophobicContact CD2-CG 4.1Å; V392-L501 HydrophobicContact CG1-CD1 4.17Å; V392-L501 HydrophobicContact CG1-CD2 3.77Å; V392-L501 HydrophobicContact CG2-CD1 3.84Å; V392-L501 HydrophobicContact CG2-CD2 4.44Å; I445-L501 HydrophobicContact CD1-CD2 4.12Å; A497-L501 WeakPolarHBondContact O-CG 3.31Å; A497-L501 PolarHBondContact O-N 2.71Å; I498-L501 PolarHBondContact O-N 3.15Å; F499-L501 VanDerWaalsContact C-N 3.34Å; F499-L501 PolarHBondContact O-N 2.99Å; L501-Y503 VanDerWaalsContact C-N 3.26Å; L501-Y503 PolarHBondContact O-N 2.82Å; L501-L504 PolarHBondContact O-N 3.41Å; L501-A505 WeakPolarHBondContact O-CB 3.5Å; L501-A505 PolarHBondContact O-N 2.72Å
502	A	92.6	Very high	86.7	Confident	4 Å²	4	33.3 Å²	33.3	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-42.3	176	0	0	0	0	0	111.2	Y322 I498 F499 V506	Y322-A502 HydrophobicContact CD2-CB 4.29Å; I498-A502 PolarHBondContact O-N 2.77Å; F499-A502 PolarHBondContact O-N 3.35Å; A502-V506 PolarHBondContact O-N 2.94Å
503	Y	93.3	Very high	85.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-48	177.5	175.4	-90.8	0	0	0	113.3	W318 F499 H500 L501 V506 W527 L530 F532 S534 H535	W318-Y503 HydrophobicContact CH2-CD2 4.02Å; F499-Y503 PolarHBondContact O-N 3.18Å; F499-Y503 VanDerWaalsContact O-N 3.11Å; H500-Y503 PolarHBondContact O-N 3.31Å; L501-Y503 VanDerWaalsContact C-N 3.26Å; L501-Y503 PolarHBondContact O-N 2.82Å; Y503-V506 WeakPolarHBondContact O-CG1 3.29Å; Y503-W527 AromaticContact CE1-CD1 3.65Å; Y503-W527 HydrophobicContact CE1-CD2 4.08Å; Y503-W527 AromaticContact CE1-CE2 3.94Å; Y503-W527 AromaticContact CE1-CG 3.91Å; Y503-W527 HydrophobicContact CE1-CG 3.91Å; Y503-W527 AromaticContact CE1-NE1 3.67Å; Y503-W527 HydrophobicContact CE2-CB 4.3Å; Y503-W527 AromaticContact CE2-CD1 3.97Å; Y503-W527 HydrophobicContact CE2-CG 4.23Å; Y503-W527 AromaticContact CZ-CD1 3.49Å; Y503-W527 VanDerWaalsContact CZ-CD1 3.49Å; Y503-W527 AromaticContact CZ-CG 3.53Å; Y503-W527 PolarHBondContact O-NE1 3.33Å; Y503-W527 WeakPolarHBondContact OH-CB 3.37Å; Y503-L530 HydrophobicContact CD2-CB 3.82Å; Y503-L530 HydrophobicContact CD2-CD1 3.65Å; Y503-L530 HydrophobicContact CD2-CG 4.41Å; Y503-L530 HydrophobicContact CE2-CB 3.81Å; Y503-L530 HydrophobicContact CE2-CD1 4.25Å; Y503-L530 HydrophobicContact CG-CD1 4.48Å; Y503-F532 WeakPolarHBondContact OH-CA 3.46Å; Y503-F532 WeakPolarHBondContact OH-CD1 3.49Å; Y503-S534 WeakPolarHBondContact CD1-OG 3.47Å; Y503-H535 AromaticContact CE1-CE1 3.49Å; Y503-H535 VanDerWaalsContact CE1-CE1 3.49Å; Y503-H535 WeakPolarHBondContact CE1-CE1 3.12Å; Y503-H535 AromaticContact CE1-ND1 3.38Å; Y503-H535 WeakPolarHBondContact CE1-ND1 3.47Å; Y503-H535 AromaticContact CZ-CE1 3.87Å; Y503-H535 AromaticContact CZ-ND1 3.45Å; Y503-H535 PolarHBondContact OH-CE1 3.34Å; Y503-H535 PolarHBondContact OH-ND1 3.25Å
504	L	92.1	Very high	83.6	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-69.5	-37.5	-173.8	-73.3	176.8	0	0	0	112	V441 I445 Y448 H500 L501 W527	V441-L504 HydrophobicContact CG1-CB 4.35Å; V441-L504 WeakPolarHBondContact CG2-O 3.21Å; I445-L504 HydrophobicContact CB-CD1 3.96Å; I445-L504 HydrophobicContact CG1-CD1 4.42Å; Y448-L504 HydrophobicContact CD2-CD1 3.9Å; Y448-L504 HydrophobicContact CE2-CD1 3.88Å; Y448-L504 HydrophobicContact CE2-CD2 3.97Å; Y448-L504 HydrophobicContact CE2-CG 4.06Å; H500-L504 WeakPolarHBondContact O-CB 3.4Å; H500-L504 VanDerWaalsContact O-CG 3.3Å; H500-L504 WeakPolarHBondContact O-CG 3.33Å; H500-L504 PolarHBondContact O-N 3.1Å; L501-L504 PolarHBondContact O-N 3.41Å; L504-W527 HydrophobicContact CD2-CZ2 3.97Å
505	A	86.3	Confident	81.9	Confident	13 Å²	13	43.1 Å²	43.1	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-91.9	-1.7	-175.1	0	0	0	0	0	114.8	L501 M507 F508	L501-A505 WeakPolarHBondContact O-CB 3.5Å; L501-A505 PolarHBondContact O-N 2.72Å; A505-M507 PolarHBondContact O-N 2.89Å; A505-M507 VanDerWaalsContact O-N 3.08Å; A505-F508 HydrophobicContact CB-CD2 4.19Å; A505-F508 PolarHBondContact O-N 2.87Å
506	V	84.1	Confident	80.5	Confident	10 Å²	10	45.5 Å²	45.5	6%	0.061	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.7	178.8	73.6	0	0	0	0	114.6	A321 A502 Y503 F508 K526 L530	A321-V506 HydrophobicContact CB-CB 4.13Å; A321-V506 HydrophobicContact CB-CG2 3.61Å; A502-V506 PolarHBondContact O-N 2.94Å; Y503-V506 WeakPolarHBondContact O-CG1 3.29Å; V506-F508 VanDerWaalsContact C-N 3.27Å; V506-K526 HydrophobicContact CG1-CB 4.2Å; V506-L530 HydrophobicContact CG1-CD1 4.05Å
507	M	81.5	Confident	79.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.9	177.8	59	-154.7	-92.1	0	0	114	Q437 V441 A505 T523 W527	Q437-M507 VanDerWaalsContact C-CE 3.41Å; Q437-M507 HydrophobicContact CB-CE 3.38Å; Q437-M507 HydrophobicContact CG-CE 4.3Å; Q437-M507 WeakPolarHBondContact O-CE 3.4Å; V441-M507 HydrophobicContact CG2-CE 3.47Å; V441-M507 VanDerWaalsContact CG2-CE 3.47Å; V441-M507 HydrophobicContact CG2-CG 4.12Å; V441-M507 HydrophobicContact CG2-SD 3.17Å; V441-M507 WeakPolarHBondContact CG2-SD 3.36Å; A505-M507 PolarHBondContact O-N 2.89Å; A505-M507 VanDerWaalsContact O-N 3.08Å; M507-T523 HydrophobicContact CE-CG2 3.27Å; M507-T523 HydrophobicContact SD-CG2 3.75Å; M507-W527 HydrophobicContact SD-CZ2 3.73Å
508	F	76.5	Confident	78	Confident	14 Å²	14	45.5 Å²	45.5	6%	0.061	23%	0.231	C	C	.	.			trans	-98.9	86	171.6	-53.6	-67.6	0	0	0	108.5	F328 L438 V441 A505 V506	F328-F508 HydrophobicContact CB-CB 4.02Å; F328-F508 HydrophobicContact CD1-CB 4.4Å; F328-F508 HydrophobicContact CD1-CD2 4.03Å; F328-F508 HydrophobicContact CD1-CG 4.4Å; F328-F508 HydrophobicContact CD2-CB 3.52Å; F328-F508 HydrophobicContact CD2-CD1 4.48Å; F328-F508 HydrophobicContact CD2-CD2 4.3Å; F328-F508 AromaticContact CD2-CG 3.87Å; F328-F508 HydrophobicContact CD2-CG 3.87Å; F328-F508 AromaticContact CE1-CD2 3.96Å; F328-F508 HydrophobicContact CE1-CD2 3.96Å; F328-F508 HydrophobicContact CE1-CE2 4.31Å; F328-F508 HydrophobicContact CE1-CG 4.42Å; F328-F508 HydrophobicContact CE2-CB 4.05Å; F328-F508 HydrophobicContact CE2-CD1 4.15Å; F328-F508 HydrophobicContact CE2-CD2 4.23Å; F328-F508 AromaticContact CE2-CG 3.88Å; F328-F508 HydrophobicContact CE2-CG 3.88Å; F328-F508 HydrophobicContact CG-CB 3.72Å; F328-F508 HydrophobicContact CG-CD2 4.2Å; F328-F508 HydrophobicContact CG-CG 4.13Å; F328-F508 HydrophobicContact CZ-CD1 4.5Å; F328-F508 HydrophobicContact CZ-CD2 4.06Å; F328-F508 HydrophobicContact CZ-CE2 4.34Å; F328-F508 HydrophobicContact CZ-CG 4.16Å; L438-F508 HydrophobicContact CD2-CE1 3.59Å; L438-F508 HydrophobicContact CD2-CZ 3.53Å; L438-F508 HydrophobicContact CG-CE1 3.97Å; L438-F508 HydrophobicContact CG-CZ 4.14Å; V441-F508 HydrophobicContact CB-CE2 4.43Å; V441-F508 HydrophobicContact CB-CZ 4.47Å; V441-F508 HydrophobicContact CG1-CE2 4.34Å; V441-F508 HydrophobicContact CG2-CE2 3.9Å; V441-F508 HydrophobicContact CG2-CZ 4.03Å; A505-F508 HydrophobicContact CB-CD2 4.19Å; A505-F508 PolarHBondContact O-N 2.87Å; V506-F508 VanDerWaalsContact C-N 3.27Å
509	D	68.6	Low	77.2	Confident	33 Å²	33	49.7 Å²	49.7	18%	0.176	25%	0.254	C	S	.	.			trans	-97.3	162.7	167.8	53.5	25.6	0	0	0	110.2	S511 Q514 Y518 K526	D509-S511 PolarHBondContact O-N 3.08Å; D509-S511 VanDerWaalsContact O-N 3.11Å; D509-Q514 PolarHBondContact O-OE1 3.11Å; D509-Y518 PolarHBondContact OD1-OH 3.2Å; D509-K526 IonicContact OD2-NZ 2.81Å; D509-K526 PolarHBondContact OD2-NZ 3.44Å
510	T	60.7	Low	76.7	Confident	81 Å²	81	51.6 Å²	51.6	50%	0.497	26%	0.264	S	S	.	.	S	Bend	trans	-79.2	21.2	-178.4	48.9	0	0	0	0	113.3
511	S	65.4	Low	76.3	Confident	41 Å²	41	59.8 Å²	59.8	29%	0.287	30%	0.295	S	S	.	.			trans	-76.5	154.5	-173.3	112.5	0	0	0	0	112.2	D509 Q513 Q514 Y518	D509-S511 PolarHBondContact O-N 3.08Å; D509-S511 VanDerWaalsContact O-N 3.11Å; S511-Q513 PolarHBondContact O-N 2.85Å; S511-Q513 VanDerWaalsContact O-N 3.11Å; S511-Q513 PolarHBondContact OG-N 2.81Å; S511-Q513 VanDerWaalsContact OG-N 3.15Å; S511-Q514 WeakPolarHBondContact O-CB 3.36Å; S511-Q514 PolarHBondContact O-N 2.86Å; S511-Y518 WeakPolarHBondContact CB-OH 3.15Å; S511-Y518 PolarHBondContact OG-OH 3.46Å
512	E	60.5	Low	75.8	Confident	165 Å²	165	61 Å²	61	77%	0.771	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.9	177.1	-65.6	-170.8	167	0	0	113.4	Q514 F515	E512-Q514 PolarHBondContact O-N 2.83Å; E512-F515 HydrophobicContact CB-CD2 4.42Å; E512-F515 WeakPolarHBondContact O-CB 3.17Å; E512-F515 VanDerWaalsContact O-CD2 3.28Å; E512-F515 WeakPolarHBondContact O-CD2 3.11Å; E512-F515 PolarHBondContact O-N 3.36Å
513	Q	62.7	Low	75.4	Confident	118 Å²	118	60.8 Å²	60.8	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-66.8	-24.6	177.3	-67.7	-179.7	0.4	0	0	112	S511 F515 Q516 G517 Y518	S511-Q513 PolarHBondContact O-N 2.85Å; S511-Q513 VanDerWaalsContact O-N 3.11Å; S511-Q513 PolarHBondContact OG-N 2.81Å; S511-Q513 VanDerWaalsContact OG-N 3.15Å; Q513-F515 PolarHBondContact O-N 3.15Å; Q513-Q516 PolarHBondContact O-N 3.17Å; Q513-G517 PolarHBondContact O-N 3.31Å; Q513-Y518 HydrophobicContact CB-CD1 4Å; Q513-Y518 HydrophobicContact CB-CE1 3.35Å; Q513-Y518 HydrophobicContact CG-CE1 4.35Å; Q513-Y518 VanDerWaalsContact OE1-CE1 3.3Å
514	Q	65.9	Low	75.2	Confident	66 Å²	66	63.9 Å²	63.9	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-31.9	174.2	-165.2	-170.8	12.5	0	0	111.7	D509 S511 E512 Q516 G517 Y518	D509-Q514 PolarHBondContact O-OE1 3.11Å; S511-Q514 WeakPolarHBondContact O-CB 3.36Å; S511-Q514 PolarHBondContact O-N 2.86Å; E512-Q514 PolarHBondContact O-N 2.83Å; Q514-Q516 VanDerWaalsContact C-N 3.31Å; Q514-Q516 PolarHBondContact O-N 3.11Å; Q514-G517 PolarHBondContact O-N 2.47Å; Q514-Y518 HydrophobicContact CB-CE2 4.15Å
515	F	61.7	Low	75.1	Confident	128 Å²	128	67.7 Å²	67.7	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-66.5	-32.4	177.2	-63.3	-64.8	0	0	0	112.9	V192 H195 E512 Q513	V192-F515 WeakPolarHBondContact CA-O 3.26Å; V192-F515 HydrophobicContact CG1-CB 4.45Å; V192-F515 HydrophobicContact CG2-CB 4.37Å; H195-F515 PolarHBondContact ND1-O 3.29Å; E512-F515 HydrophobicContact CB-CD2 4.42Å; E512-F515 WeakPolarHBondContact O-CB 3.17Å; E512-F515 VanDerWaalsContact O-CD2 3.28Å; E512-F515 WeakPolarHBondContact O-CD2 3.11Å; E512-F515 PolarHBondContact O-N 3.36Å; Q513-F515 PolarHBondContact O-N 3.15Å
516	Q	66.6	Low	75.1	Confident	127 Å²	127	69.2 Å²	69.2	59%	0.593	34%	0.339	S	S	*	.	H	α-helix	trans	-86.4	-18.3	176.7	-61.9	-176.9	5.1	0	0	112.2	P191 V192 Q513 Q514	P191-Q516 VanDerWaalsContact CB-O 3.24Å; P191-Q516 WeakPolarHBondContact CB-O 3.48Å; P191-Q516 HydrophobicContact CG-CB 4.47Å; V192-Q516 HydrophobicContact CG2-CG 3.79Å; Q513-Q516 PolarHBondContact O-N 3.17Å; Q514-Q516 VanDerWaalsContact C-N 3.31Å; Q514-Q516 PolarHBondContact O-N 3.11Å
517	G	68.1	Low	75.4	Confident	20 Å²	20	69.2 Å²	69.2	21%	0.206	34%	0.338	C	S	.	.			trans	82.6	142.9	-170.3	0	0	0	0	0	110.9	Q513 Q514	Q513-G517 PolarHBondContact O-N 3.31Å; Q514-G517 PolarHBondContact O-N 2.47Å
518	Y	72.3	Confident	75.9	Confident	19 Å²	19	76.6 Å²	76.6	8%	0.075	37%	0.366	C	S	.	.			trans	-93.2	151.9	177.3	-55.3	-89.9	0	0	0	113	Q437 D509 S511 Q513 Q514 H522	Q437-Y518 VanDerWaalsContact CD-CB 3.42Å; Q437-Y518 VanDerWaalsContact NE2-CB 3.33Å; Q437-Y518 VanDerWaalsContact NE2-CD2 3.31Å; Q437-Y518 VanDerWaalsContact OE1-CD2 3.27Å; D509-Y518 PolarHBondContact OD1-OH 3.2Å; S511-Y518 WeakPolarHBondContact CB-OH 3.15Å; S511-Y518 PolarHBondContact OG-OH 3.46Å; Q513-Y518 HydrophobicContact CB-CD1 4Å; Q513-Y518 HydrophobicContact CB-CE1 3.35Å; Q513-Y518 HydrophobicContact CG-CE1 4.35Å; Q513-Y518 VanDerWaalsContact OE1-CE1 3.3Å; Q514-Y518 HydrophobicContact CB-CE2 4.15Å; Y518-H522 HydrophobicContact CD1-CB 4.04Å; Y518-H522 AromaticContact CD1-CD2 3.66Å; Y518-H522 AromaticContact CD1-CE1 3.57Å; Y518-H522 AromaticContact CD1-CG 3.43Å; Y518-H522 VanDerWaalsContact CD1-CG 3.43Å; Y518-H522 AromaticContact CD1-ND1 3.38Å; Y518-H522 WeakPolarHBondContact CD1-ND1 3.36Å; Y518-H522 AromaticContact CD1-NE2 3.79Å; Y518-H522 AromaticContact CD2-CD2 3.9Å; Y518-H522 AromaticContact CE1-CE1 3.32Å; Y518-H522 WeakPolarHBondContact CE1-CE1 3.44Å; Y518-H522 AromaticContact CE1-ND1 3.55Å; Y518-H522 AromaticContact CE1-NE2 3.72Å; Y518-H522 AromaticContact CE2-NE2 3.92Å; Y518-H522 HydrophobicContact CG-CB 4.15Å; Y518-H522 AromaticContact CG-CD2 3.53Å; Y518-H522 AromaticContact CG-CG 3.66Å; Y518-H522 AromaticContact CG-NE2 3.91Å; Y518-H522 AromaticContact CZ-CE1 3.72Å; Y518-H522 AromaticContact CZ-NE2 3.77Å
519	N	78.8	Confident	76.5	Confident	129 Å²	129	81.9 Å²	81.9	69%	0.69	40%	0.395	S	S	*	.			trans	-68.8	158.4	171.6	-65.9	-29.3	0	0	0	111.8	W521 H522	N519-W521 PolarHBondContact O-N 2.95Å; N519-W521 VanDerWaalsContact O-N 3.12Å; N519-H522 WeakPolarHBondContact O-CB 3.28Å; N519-H522 PolarHBondContact O-N 3.04Å
520	M	84.7	Confident	77.5	Confident	89 Å²	89	81.1 Å²	81.1	44%	0.438	39%	0.391	S	S	.	.	H	α-helix	trans	-47.3	-42.3	174.2	173.2	173.6	95.8	0	0	113.1	F436 H522 T523 M524	F436-M520 HydrophobicContact CD1-CB 3.78Å; F436-M520 HydrophobicContact CD1-CG 3.93Å; F436-M520 HydrophobicContact CD2-CB 4.47Å; F436-M520 HydrophobicContact CD2-CG 4.44Å; F436-M520 HydrophobicContact CD2-SD 4.42Å; F436-M520 HydrophobicContact CE1-CB 3.86Å; F436-M520 HydrophobicContact CE1-CG 3.46Å; F436-M520 VanDerWaalsContact CE1-CG 3.46Å; F436-M520 HydrophobicContact CE1-SD 4.33Å; F436-M520 HydrophobicContact CE2-CG 4.01Å; F436-M520 HydrophobicContact CE2-SD 3.8Å; F436-M520 HydrophobicContact CG-CB 4.11Å; F436-M520 HydrophobicContact CG-CG 4.41Å; F436-M520 HydrophobicContact CZ-CB 4.23Å; F436-M520 HydrophobicContact CZ-CG 3.49Å; F436-M520 VanDerWaalsContact CZ-CG 3.49Å; F436-M520 HydrophobicContact CZ-SD 3.76Å; M520-H522 VanDerWaalsContact C-N 3.29Å; M520-H522 PolarHBondContact O-N 3.19Å; M520-T523 WeakPolarHBondContact O-CB 3.38Å; M520-T523 PolarHBondContact O-N 3.21Å; M520-M524 HydrophobicContact CG-CG 4.2Å; M520-M524 WeakPolarHBondContact O-CG 3.38Å; M520-M524 PolarHBondContact O-N 3.13Å
521	W	86.8	Confident	78.9	Confident	178 Å²	178	79.4 Å²	79.4	67%	0.674	39%	0.39	S	S	*	.	H	α-helix	trans	-59.5	-36	179.6	-71.7	112.9	0	0	0	113.8	N519 M524 N525	N519-W521 PolarHBondContact O-N 2.95Å; N519-W521 VanDerWaalsContact O-N 3.12Å; W521-M524 PolarHBondContact O-N 2.8Å; W521-N525 VanDerWaalsContact O-CB 3.24Å; W521-N525 WeakPolarHBondContact O-CB 3.44Å; W521-N525 PolarHBondContact O-N 3.34Å; W521-N525 PolarHBondContact O-ND2 3.05Å; W521-N525 PolarHBondContact O-OD1 3.21Å
522	H	83.6	Confident	80.3	Confident	41 Å²	41	80.1 Å²	80.1	19%	0.19	39%	0.388	C	S	.	.	H	α-helix	trans	-62.9	-46.4	176.8	177.9	93	0	0	0	111.1	Y518 N519 M520 N525 K526	Y518-H522 HydrophobicContact CD1-CB 4.04Å; Y518-H522 AromaticContact CD1-CD2 3.66Å; Y518-H522 AromaticContact CD1-CE1 3.57Å; Y518-H522 AromaticContact CD1-CG 3.43Å; Y518-H522 VanDerWaalsContact CD1-CG 3.43Å; Y518-H522 AromaticContact CD1-ND1 3.38Å; Y518-H522 WeakPolarHBondContact CD1-ND1 3.36Å; Y518-H522 AromaticContact CD1-NE2 3.79Å; Y518-H522 AromaticContact CD2-CD2 3.9Å; Y518-H522 AromaticContact CE1-CE1 3.32Å; Y518-H522 WeakPolarHBondContact CE1-CE1 3.44Å; Y518-H522 AromaticContact CE1-ND1 3.55Å; Y518-H522 AromaticContact CE1-NE2 3.72Å; Y518-H522 AromaticContact CE2-NE2 3.92Å; Y518-H522 HydrophobicContact CG-CB 4.15Å; Y518-H522 AromaticContact CG-CD2 3.53Å; Y518-H522 AromaticContact CG-CG 3.66Å; Y518-H522 AromaticContact CG-NE2 3.91Å; Y518-H522 AromaticContact CZ-CE1 3.72Å; Y518-H522 AromaticContact CZ-NE2 3.77Å; N519-H522 WeakPolarHBondContact O-CB 3.28Å; N519-H522 PolarHBondContact O-N 3.04Å; M520-H522 VanDerWaalsContact C-N 3.29Å; M520-H522 PolarHBondContact O-N 3.19Å; H522-N525 PolarHBondContact O-N 3.13Å; H522-K526 VanDerWaalsContact CE1-CE 3.48Å; H522-K526 WeakPolarHBondContact CE1-CE 3.4Å; H522-K526 VanDerWaalsContact NE2-CE 3.32Å; H522-K526 WeakPolarHBondContact NE2-CE 3.32Å; H522-K526 WeakPolarHBondContact O-CG 3.46Å; H522-K526 PolarHBondContact O-N 3.46Å
523	T	84.4	Confident	81.9	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-59.6	-50.6	177.3	-60.2	0	0	0	0	111	F436 Q437 M507 M520 N525 K526 W527	F436-T523 HydrophobicContact CE1-CG2 4.34Å; Q437-T523 WeakPolarHBondContact CG-OG1 3.42Å; Q437-T523 PolarHBondContact NE2-OG1 3.23Å; M507-T523 HydrophobicContact CE-CG2 3.27Å; M507-T523 HydrophobicContact SD-CG2 3.75Å; M520-T523 WeakPolarHBondContact O-CB 3.38Å; M520-T523 PolarHBondContact O-N 3.21Å; T523-N525 VanDerWaalsContact C-N 3.31Å; T523-N525 PolarHBondContact O-N 2.88Å; T523-K526 PolarHBondContact O-N 3Å; T523-W527 HydrophobicContact CG2-CD2 4.23Å; T523-W527 HydrophobicContact CG2-CE3 4.17Å; T523-W527 HydrophobicContact CG2-CH2 4.28Å; T523-W527 HydrophobicContact CG2-CZ2 4.3Å; T523-W527 HydrophobicContact CG2-CZ3 4.2Å; T523-W527 PolarHBondContact O-N 3.31Å; T523-W527 VanDerWaalsContact O-N 3.13Å
524	M	88.8	Confident	83.4	Confident	65 Å²	65	70.2 Å²	70.2	32%	0.32	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-37.7	179.5	-66.1	-57.3	-71.3	0	0	112.1	M520 W521 W527 Y528 F532	M520-M524 HydrophobicContact CG-CG 4.2Å; M520-M524 WeakPolarHBondContact O-CG 3.38Å; M520-M524 PolarHBondContact O-N 3.13Å; W521-M524 PolarHBondContact O-N 2.8Å; M524-W527 PolarHBondContact O-N 3.38Å; M524-W527 HydrophobicContact SD-CE3 4.21Å; M524-Y528 WeakPolarHBondContact O-CB 3.15Å; M524-Y528 PolarHBondContact O-N 3.01Å; M524-F532 HydrophobicContact CE-CE1 3.81Å; M524-F532 HydrophobicContact CE-CZ 3.72Å; M524-F532 HydrophobicContact SD-CE1 4.45Å
525	N	89.2	Confident	84.8	Confident	84 Å²	84	69.7 Å²	69.7	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-41.9	177.6	-73.6	-14	0	0	0	112.4	W521 H522 T523 W527 Y528 N529	W521-N525 VanDerWaalsContact O-CB 3.24Å; W521-N525 WeakPolarHBondContact O-CB 3.44Å; W521-N525 PolarHBondContact O-N 3.34Å; W521-N525 PolarHBondContact O-ND2 3.05Å; W521-N525 PolarHBondContact O-OD1 3.21Å; H522-N525 PolarHBondContact O-N 3.13Å; T523-N525 VanDerWaalsContact C-N 3.31Å; T523-N525 PolarHBondContact O-N 2.88Å; N525-W527 VanDerWaalsContact C-N 3.32Å; N525-W527 PolarHBondContact O-N 3.47Å; N525-Y528 PolarHBondContact O-N 3.34Å; N525-N529 WeakPolarHBondContact O-CB 3.43Å; N525-N529 PolarHBondContact O-N 3.17Å; N525-N529 PolarHBondContact O-ND2 2.98Å; N525-N529 PolarHBondContact O-OD1 3.12Å
526	K	85.9	Confident	86.5	Confident	46 Å²	46	68.3 Å²	68.3	20%	0.2	34%	0.338	C	S	.	.	H	α-helix	trans	-60.8	-44	175.9	-71.4	-86	-170.8	157.1	0	111.1	V506 D509 H522 T523 N529 L530	V506-K526 HydrophobicContact CG1-CB 4.2Å; D509-K526 IonicContact OD2-NZ 2.81Å; D509-K526 PolarHBondContact OD2-NZ 3.44Å; H522-K526 VanDerWaalsContact CE1-CE 3.48Å; H522-K526 WeakPolarHBondContact CE1-CE 3.4Å; H522-K526 VanDerWaalsContact NE2-CE 3.32Å; H522-K526 WeakPolarHBondContact NE2-CE 3.32Å; H522-K526 WeakPolarHBondContact O-CG 3.46Å; H522-K526 PolarHBondContact O-N 3.46Å; T523-K526 PolarHBondContact O-N 3Å; K526-N529 PolarHBondContact O-N 3.46Å; K526-L530 PolarHBondContact O-N 3.32Å
527	W	90.8	Very high	87.9	Confident	10 Å²	10	64.1 Å²	64.1	4%	0.038	32%	0.321	C	S	.	.	H	α-helix	trans	-69.1	-36.1	176.5	-77.7	-5.3	0	0	0	113.8	A440 V441 Y503 L504 M507 T523 M524 N525 L530 G531 F532 H535	A440-W527 HydrophobicContact CB-CH2 3.83Å; A440-W527 HydrophobicContact CB-CZ3 4.3Å; V441-W527 HydrophobicContact CG2-CZ2 4.26Å; Y503-W527 AromaticContact CE1-CD1 3.65Å; Y503-W527 HydrophobicContact CE1-CD2 4.08Å; Y503-W527 AromaticContact CE1-CE2 3.94Å; Y503-W527 AromaticContact CE1-CG 3.91Å; Y503-W527 HydrophobicContact CE1-CG 3.91Å; Y503-W527 AromaticContact CE1-NE1 3.67Å; Y503-W527 HydrophobicContact CE2-CB 4.3Å; Y503-W527 AromaticContact CE2-CD1 3.97Å; Y503-W527 HydrophobicContact CE2-CG 4.23Å; Y503-W527 AromaticContact CZ-CD1 3.49Å; Y503-W527 VanDerWaalsContact CZ-CD1 3.49Å; Y503-W527 AromaticContact CZ-CG 3.53Å; Y503-W527 PolarHBondContact O-NE1 3.33Å; Y503-W527 WeakPolarHBondContact OH-CB 3.37Å; L504-W527 HydrophobicContact CD2-CZ2 3.97Å; M507-W527 HydrophobicContact SD-CZ2 3.73Å; T523-W527 HydrophobicContact CG2-CD2 4.23Å; T523-W527 HydrophobicContact CG2-CE3 4.17Å; T523-W527 HydrophobicContact CG2-CH2 4.28Å; T523-W527 HydrophobicContact CG2-CZ2 4.3Å; T523-W527 HydrophobicContact CG2-CZ3 4.2Å; T523-W527 PolarHBondContact O-N 3.31Å; T523-W527 VanDerWaalsContact O-N 3.13Å; M524-W527 PolarHBondContact O-N 3.38Å; M524-W527 HydrophobicContact SD-CE3 4.21Å; N525-W527 VanDerWaalsContact C-N 3.32Å; N525-W527 PolarHBondContact O-N 3.47Å; W527-L530 CarbonylContact O-C 3.56Å; W527-L530 PolarHBondContact O-N 2.85Å; W527-G531 PolarHBondContact O-N 3.45Å; W527-F532 HydrophobicContact CB-CD1 3.88Å; W527-F532 HydrophobicContact CB-CE1 3.54Å; W527-F532 HydrophobicContact CB-CZ 4.26Å; W527-F532 HydrophobicContact CE3-CE1 4.36Å; W527-F532 PolarHBondContact O-N 3.13Å; W527-H535 AromaticContact CD2-CE1 3.81Å; W527-H535 AromaticContact CE3-CE1 3.48Å; W527-H535 VanDerWaalsContact CE3-CE1 3.48Å; W527-H535 AromaticContact CH2-CE1 3.91Å; W527-H535 AromaticContact CZ3-CE1 3.52Å; W527-H535 AromaticContact CZ3-NE2 3.86Å
528	Y	92.1	Very high	89.2	Confident	155 Å²	155	63.5 Å²	63.5	61%	0.608	32%	0.315	S	S	*	.	H	α-helix	trans	-63.9	-41	172.7	173.5	-97.4	0	0	0	112	M524 N525 L530 G531 F532	M524-Y528 WeakPolarHBondContact O-CB 3.15Å; M524-Y528 PolarHBondContact O-N 3.01Å; N525-Y528 PolarHBondContact O-N 3.34Å; Y528-L530 PolarHBondContact O-N 3.28Å; Y528-G531 WeakPolarHBondContact O-CA 3.38Å; Y528-G531 PolarHBondContact O-N 3.17Å; Y528-F532 HydrophobicContact CD2-CD2 4.44Å; Y528-F532 AromaticContact CD2-CE2 3.89Å; Y528-F532 HydrophobicContact CD2-CE2 3.89Å; Y528-F532 HydrophobicContact CG-CE2 4.3Å
529	N	88.6	Confident	90.3	Very high	124 Å²	124	68.5 Å²	68.5	66%	0.663	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-22.1	177.3	-70.3	-14.5	0	0	0	112.9	N525 K526	N525-N529 WeakPolarHBondContact O-CB 3.43Å; N525-N529 PolarHBondContact O-N 3.17Å; N525-N529 PolarHBondContact O-ND2 2.98Å; N525-N529 PolarHBondContact O-OD1 3.12Å; K526-N529 PolarHBondContact O-N 3.46Å
530	L	89.4	Confident	91.1	Very high	17 Å²	17	64 Å²	64	9%	0.089	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	14.7	171.5	-62.6	176.9	0	0	0	112.6	P317 W318 A321 Y503 V506 K526 W527 Y528 F532 L533	P317-L530 HydrophobicContact CB-CD2 4.41Å; W318-L530 HydrophobicContact CD2-CD2 4.26Å; W318-L530 HydrophobicContact CH2-CB 4.3Å; W318-L530 HydrophobicContact CH2-CD1 4.38Å; W318-L530 HydrophobicContact CZ2-CB 4.17Å; W318-L530 HydrophobicContact CZ2-CD2 4.24Å; W318-L530 HydrophobicContact CZ3-CD1 4.39Å; A321-L530 HydrophobicContact CB-CD1 4.26Å; Y503-L530 HydrophobicContact CD2-CB 3.82Å; Y503-L530 HydrophobicContact CD2-CD1 3.65Å; Y503-L530 HydrophobicContact CD2-CG 4.41Å; Y503-L530 HydrophobicContact CE2-CB 3.81Å; Y503-L530 HydrophobicContact CE2-CD1 4.25Å; Y503-L530 HydrophobicContact CG-CD1 4.48Å; V506-L530 HydrophobicContact CG1-CD1 4.05Å; K526-L530 PolarHBondContact O-N 3.32Å; W527-L530 CarbonylContact O-C 3.56Å; W527-L530 PolarHBondContact O-N 2.85Å; Y528-L530 PolarHBondContact O-N 3.28Å; L530-F532 VanDerWaalsContact C-N 3.27Å; L530-F532 PolarHBondContact O-N 3.35Å; L530-L533 WeakPolarHBondContact O-CB 3.39Å; L530-L533 PolarHBondContact O-N 2.92Å
531	G	91.7	Very high	91.6	Very high	46 Å²	46	60.9 Å²	60.9	47%	0.474	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	18.7	175.7	0	0	0	0	0	115.1	W527 Y528 L533	W527-G531 PolarHBondContact O-N 3.45Å; Y528-G531 WeakPolarHBondContact O-CA 3.38Å; Y528-G531 PolarHBondContact O-N 3.17Å; G531-L533 PolarHBondContact O-N 3.3Å
532	F	93.6	Very high	92	Very high	56 Å²	56	55.5 Å²	55.5	25%	0.246	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	22.4	-168.4	-67.1	-78.9	0	0	0	114.1	Y503 M524 W527 Y528 L530 S534 H535 I536	Y503-F532 WeakPolarHBondContact OH-CA 3.46Å; Y503-F532 WeakPolarHBondContact OH-CD1 3.49Å; M524-F532 HydrophobicContact CE-CE1 3.81Å; M524-F532 HydrophobicContact CE-CZ 3.72Å; M524-F532 HydrophobicContact SD-CE1 4.45Å; W527-F532 HydrophobicContact CB-CD1 3.88Å; W527-F532 HydrophobicContact CB-CE1 3.54Å; W527-F532 HydrophobicContact CB-CZ 4.26Å; W527-F532 HydrophobicContact CE3-CE1 4.36Å; W527-F532 PolarHBondContact O-N 3.13Å; Y528-F532 HydrophobicContact CD2-CD2 4.44Å; Y528-F532 AromaticContact CD2-CE2 3.89Å; Y528-F532 HydrophobicContact CD2-CE2 3.89Å; Y528-F532 HydrophobicContact CG-CE2 4.3Å; L530-F532 VanDerWaalsContact C-N 3.27Å; L530-F532 PolarHBondContact O-N 3.35Å; F532-S534 VanDerWaalsContact C-N 3.3Å; F532-S534 PolarHBondContact O-N 3.07Å; F532-H535 AromaticContact CD1-ND1 3.99Å; F532-H535 WeakPolarHBondContact O-CB 3.33Å; F532-H535 PolarHBondContact O-N 3.2Å; F532-I536 PolarHBondContact O-N 3.3Å; F532-I536 VanDerWaalsContact O-N 3.13Å
533	L	94.6	Very high	92.6	Very high	74 Å²	74	57.6 Å²	57.6	39%	0.387	30%	0.296	S	S	.	.	H	α-helix	trans	-58.7	-42	-165.4	-173	64	0	0	0	112.4	W318 F499 L530 G531 H535 I536 V537	W318-L533 HydrophobicContact CZ2-CB 4.24Å; W318-L533 HydrophobicContact CZ2-CD2 3.9Å; F499-L533 HydrophobicContact CE2-CD2 4.07Å; F499-L533 HydrophobicContact CZ-CB 4.25Å; F499-L533 HydrophobicContact CZ-CD2 3.83Å; F499-L533 HydrophobicContact CZ-CG 3.89Å; L530-L533 WeakPolarHBondContact O-CB 3.39Å; L530-L533 PolarHBondContact O-N 2.92Å; G531-L533 PolarHBondContact O-N 3.3Å; L533-H535 PolarHBondContact O-N 2.92Å; L533-I536 PolarHBondContact O-N 2.91Å; L533-V537 HydrophobicContact CG-CG2 4.45Å; L533-V537 VanDerWaalsContact O-CG2 3.29Å; L533-V537 WeakPolarHBondContact O-CG2 3.41Å; L533-V537 PolarHBondContact O-N 3.31Å
534	S	94.7	Very high	93	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-40	176.9	170.5	0	0	0	0	113.6	Y448 H500 Y503 F532 I536 V537 A538	Y448-S534 WeakPolarHBondContact CE2-OG 3.39Å; H500-S534 PolarHBondContact CE1-O 3.16Å; H500-S534 PolarHBondContact ND1-OG 3.26Å; Y503-S534 WeakPolarHBondContact CD1-OG 3.47Å; F532-S534 VanDerWaalsContact C-N 3.3Å; F532-S534 PolarHBondContact O-N 3.07Å; S534-I536 VanDerWaalsContact C-N 3.33Å; S534-V537 PolarHBondContact O-N 3.48Å; S534-A538 WeakPolarHBondContact O-CB 3.37Å; S534-A538 PolarHBondContact O-N 2.89Å
535	H	95	Very high	93.3	Very high	55 Å²	55	62.6 Å²	62.6	26%	0.255	32%	0.315	S	S	.	.	H	α-helix	trans	-64.3	-41.3	174.8	-74	94.4	0	0	0	111.3	Y448 Y503 W527 F532 L533 A538 F539	Y448-H535 AromaticContact CZ-CD2 4Å; Y448-H535 WeakPolarHBondContact OH-CA 3.45Å; Y448-H535 PolarHBondContact OH-CD2 3.46Å; Y448-H535 PolarHBondContact OH-CE1 2.89Å; Y448-H535 PolarHBondContact OH-N 2.93Å; Y448-H535 PolarHBondContact OH-ND1 3.07Å; Y448-H535 PolarHBondContact OH-NE2 3.23Å; Y503-H535 AromaticContact CE1-CE1 3.49Å; Y503-H535 VanDerWaalsContact CE1-CE1 3.49Å; Y503-H535 WeakPolarHBondContact CE1-CE1 3.12Å; Y503-H535 AromaticContact CE1-ND1 3.38Å; Y503-H535 WeakPolarHBondContact CE1-ND1 3.47Å; Y503-H535 AromaticContact CZ-CE1 3.87Å; Y503-H535 AromaticContact CZ-ND1 3.45Å; Y503-H535 PolarHBondContact OH-CE1 3.34Å; Y503-H535 PolarHBondContact OH-ND1 3.25Å; W527-H535 AromaticContact CD2-CE1 3.81Å; W527-H535 AromaticContact CE3-CE1 3.48Å; W527-H535 VanDerWaalsContact CE3-CE1 3.48Å; W527-H535 AromaticContact CH2-CE1 3.91Å; W527-H535 AromaticContact CZ3-CE1 3.52Å; W527-H535 AromaticContact CZ3-NE2 3.86Å; F532-H535 AromaticContact CD1-ND1 3.99Å; F532-H535 WeakPolarHBondContact O-CB 3.33Å; F532-H535 PolarHBondContact O-N 3.2Å; L533-H535 PolarHBondContact O-N 2.92Å; H535-A538 PolarHBondContact O-N 3.14Å; H535-F539 WeakPolarHBondContact O-CB 3.37Å; H535-F539 PolarHBondContact O-N 2.97Å
536	I	96.3	Very high	93.5	Very high	99 Å²	99	63.3 Å²	63.3	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-64	-44.6	177.9	-61.9	168.9	0	0	0	110.4	F532 L533 S534 F539 A540	F532-I536 PolarHBondContact O-N 3.3Å; F532-I536 VanDerWaalsContact O-N 3.13Å; L533-I536 PolarHBondContact O-N 2.91Å; S534-I536 VanDerWaalsContact C-N 3.33Å; I536-F539 PolarHBondContact O-N 3.33Å; I536-A540 WeakPolarHBondContact O-CB 3.49Å; I536-A540 PolarHBondContact O-N 3.42Å
537	V	96.4	Very high	93.9	Very high	39 Å²	39	70.6 Å²	70.6	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-44.1	178.5	173.5	0	0	0	0	111.4	L496 F499 L533 S534 F539 A540 N541	L496-V537 HydrophobicContact CD1-CG1 3.68Å; F499-V537 HydrophobicContact CE1-CG2 4.37Å; L533-V537 HydrophobicContact CG-CG2 4.45Å; L533-V537 VanDerWaalsContact O-CG2 3.29Å; L533-V537 WeakPolarHBondContact O-CG2 3.41Å; L533-V537 PolarHBondContact O-N 3.31Å; S534-V537 PolarHBondContact O-N 3.48Å; V537-F539 VanDerWaalsContact C-N 3.33Å; V537-F539 PolarHBondContact O-N 3.37Å; V537-A540 PolarHBondContact O-N 3.02Å; V537-N541 PolarHBondContact O-N 3.3Å
538	A	95.4	Very high	93.9	Very high	8 Å²	8	74.2 Å²	74.2	7%	0.066	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-42.3	175.6	0	0	0	0	0	111.6	Y448 S534 H535 N541 F542	Y448-A538 HydrophobicContact CD1-CB 3.45Å; Y448-A538 VanDerWaalsContact CD1-CB 3.45Å; Y448-A538 HydrophobicContact CD2-CB 4.32Å; Y448-A538 HydrophobicContact CE1-CB 3.47Å; Y448-A538 VanDerWaalsContact CE1-CB 3.47Å; Y448-A538 HydrophobicContact CE2-CB 4.33Å; Y448-A538 HydrophobicContact CG-CB 3.92Å; S534-A538 WeakPolarHBondContact O-CB 3.37Å; S534-A538 PolarHBondContact O-N 2.89Å; H535-A538 PolarHBondContact O-N 3.14Å; A538-N541 PolarHBondContact O-N 3.49Å; A538-F542 PolarHBondContact O-N 2.95Å
539	F	95.8	Very high	94	Very high	124 Å²	124	70.2 Å²	70.2	54%	0.544	35%	0.353	S	S	.	.	H	α-helix	trans	-64.2	-41.1	175	-177.5	-112.6	0	0	0	112.3	H535 I536 V537 F542 L543	H535-F539 WeakPolarHBondContact O-CB 3.37Å; H535-F539 PolarHBondContact O-N 2.97Å; I536-F539 PolarHBondContact O-N 3.33Å; V537-F539 VanDerWaalsContact C-N 3.33Å; V537-F539 PolarHBondContact O-N 3.37Å; F539-F542 WeakPolarHBondContact O-CB 3.48Å; F539-F542 PolarHBondContact O-N 2.81Å; F539-L543 HydrophobicContact CD1-CD1 4.07Å; F539-L543 HydrophobicContact CD1-CG 4.44Å; F539-L543 HydrophobicContact CE1-CD1 3.58Å; F539-L543 HydrophobicContact CE1-CD2 4.49Å; F539-L543 HydrophobicContact CE1-CG 4.08Å; F539-L543 HydrophobicContact CE2-CD2 4.39Å; F539-L543 HydrophobicContact CE2-CG 4.45Å; F539-L543 HydrophobicContact CZ-CD1 3.97Å; F539-L543 HydrophobicContact CZ-CD2 4.04Å; F539-L543 HydrophobicContact CZ-CG 4.08Å; F539-L543 WeakPolarHBondContact O-CG 3.32Å; F539-L543 PolarHBondContact O-N 2.91Å
540	A	96.2	Very high	94.3	Very high	33 Å²	33	67.3 Å²	67.3	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-44.5	174.9	0	0	0	0	0	111.6	I536 V537 F542 L543 F544	I536-A540 WeakPolarHBondContact O-CB 3.49Å; I536-A540 PolarHBondContact O-N 3.42Å; V537-A540 PolarHBondContact O-N 3.02Å; A540-F542 VanDerWaalsContact C-N 3.28Å; A540-F542 PolarHBondContact O-N 3.4Å; A540-L543 PolarHBondContact O-N 2.59Å; A540-L543 VanDerWaalsContact O-N 3.15Å; A540-F544 HydrophobicContact CB-CE2 4.31Å; A540-F544 WeakPolarHBondContact O-CD2 3.37Å; A540-F544 PolarHBondContact O-N 3.18Å
541	N	94.4	Very high	94.5	Very high	24 Å²	24	70.1 Å²	70.1	13%	0.128	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-39.8	174.6	-73.6	-14.5	0	0	0	112.1	T451 V537 A538 F544 Y545	T451-N541 HydrophobicContact CG2-CB 4.12Å; V537-N541 PolarHBondContact O-N 3.3Å; A538-N541 PolarHBondContact O-N 3.49Å; N541-F544 PolarHBondContact O-N 3.44Å; N541-Y545 WeakPolarHBondContact O-CB 3.5Å; N541-Y545 PolarHBondContact O-N 3.27Å
542	F	95	Very high	94.7	Very high	66 Å²	66	71.5 Å²	71.5	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-43.7	174.7	-175.8	-110.2	0	0	0	112.2	T451 A538 F539 A540 Y545 L546	T451-F542 HydrophobicContact CG2-CB 3.63Å; T451-F542 HydrophobicContact CG2-CD2 4.23Å; T451-F542 HydrophobicContact CG2-CG 4.43Å; A538-F542 PolarHBondContact O-N 2.95Å; F539-F542 WeakPolarHBondContact O-CB 3.48Å; F539-F542 PolarHBondContact O-N 2.81Å; A540-F542 VanDerWaalsContact C-N 3.28Å; A540-F542 PolarHBondContact O-N 3.4Å; F542-Y545 HydrophobicContact CD2-CD1 4.09Å; F542-Y545 HydrophobicContact CE2-CD1 4.08Å; F542-Y545 HydrophobicContact CE2-CE1 4.27Å; F542-Y545 WeakPolarHBondContact O-CB 3.19Å; F542-Y545 PolarHBondContact O-N 3.32Å; F542-L546 HydrophobicContact CD1-CD1 4.01Å; F542-L546 HydrophobicContact CD1-CG 4.49Å; F542-L546 HydrophobicContact CE1-CD1 3.5Å; F542-L546 HydrophobicContact CE1-CG 4.13Å; F542-L546 HydrophobicContact CZ-CD1 3.9Å; F542-L546 HydrophobicContact CZ-CD2 4.23Å; F542-L546 HydrophobicContact CZ-CG 4.14Å; F542-L546 WeakPolarHBondContact O-CG 3.39Å; F542-L546 PolarHBondContact O-N 3.01Å
543	L	96	Very high	94.8	Very high	85 Å²	85	72.5 Å²	72.5	45%	0.445	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-40.5	175.1	-67.8	-178.6	0	0	0	112.2	F539 A540 L546 Y547	F539-L543 HydrophobicContact CD1-CD1 4.07Å; F539-L543 HydrophobicContact CD1-CG 4.44Å; F539-L543 HydrophobicContact CE1-CD1 3.58Å; F539-L543 HydrophobicContact CE1-CD2 4.49Å; F539-L543 HydrophobicContact CE1-CG 4.08Å; F539-L543 HydrophobicContact CE2-CD2 4.39Å; F539-L543 HydrophobicContact CE2-CG 4.45Å; F539-L543 HydrophobicContact CZ-CD1 3.97Å; F539-L543 HydrophobicContact CZ-CD2 4.04Å; F539-L543 HydrophobicContact CZ-CG 4.08Å; F539-L543 WeakPolarHBondContact O-CG 3.32Å; F539-L543 PolarHBondContact O-N 2.91Å; A540-L543 PolarHBondContact O-N 2.59Å; A540-L543 VanDerWaalsContact O-N 3.15Å; L543-L546 PolarHBondContact O-N 3.32Å; L543-Y547 WeakPolarHBondContact O-CB 3.24Å; L543-Y547 PolarHBondContact O-N 3.31Å
544	F	94.3	Very high	94.8	Very high	117 Å²	117	72.4 Å²	72.4	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.4	-75.3	-59.8	0	0	0	111.7	F455 A540 N541 L546 Y547 L548	F455-F544 HydrophobicContact CD2-CB 4.48Å; F455-F544 HydrophobicContact CE2-CB 3.88Å; F455-F544 HydrophobicContact CZ-CB 4.42Å; A540-F544 HydrophobicContact CB-CE2 4.31Å; A540-F544 WeakPolarHBondContact O-CD2 3.37Å; A540-F544 PolarHBondContact O-N 3.18Å; N541-F544 PolarHBondContact O-N 3.44Å; F544-L546 VanDerWaalsContact C-N 3.33Å; F544-L546 PolarHBondContact O-N 2.87Å; F544-Y547 PolarHBondContact O-N 3.47Å; F544-L548 VanDerWaalsContact O-CG 3.32Å; F544-L548 WeakPolarHBondContact O-CG 3.48Å; F544-L548 PolarHBondContact O-N 3.28Å
545	Y	93.6	Very high	94.8	Very high	53 Å²	53	77.6 Å²	77.6	21%	0.208	37%	0.372	C	S	.	.	H	α-helix	trans	-57.4	-44.1	172.8	157.3	-105.3	0	0	0	112.7	V454 K458 N541 F542 Y547	V454-Y545 HydrophobicContact CB-CD2 4.01Å; V454-Y545 HydrophobicContact CB-CE1 4.41Å; V454-Y545 HydrophobicContact CB-CE2 3.69Å; V454-Y545 HydrophobicContact CG2-CD1 3.8Å; V454-Y545 HydrophobicContact CG2-CD2 3.8Å; V454-Y545 HydrophobicContact CG2-CE1 3.82Å; V454-Y545 HydrophobicContact CG2-CE2 3.82Å; V454-Y545 HydrophobicContact CG2-CG 3.79Å; V454-Y545 WeakPolarHBondContact O-CD2 3.35Å; K458-Y545 HydrophobicContact CB-CD2 4.42Å; K458-Y545 HydrophobicContact CD-CD2 3.8Å; K458-Y545 HydrophobicContact CD-CE2 3.92Å; K458-Y545 PolarHBondContact NZ-O 2.8Å; N541-Y545 WeakPolarHBondContact O-CB 3.5Å; N541-Y545 PolarHBondContact O-N 3.27Å; F542-Y545 HydrophobicContact CD2-CD1 4.09Å; F542-Y545 HydrophobicContact CE2-CD1 4.08Å; F542-Y545 HydrophobicContact CE2-CE1 4.27Å; F542-Y545 WeakPolarHBondContact O-CB 3.19Å; F542-Y545 PolarHBondContact O-N 3.32Å; Y545-Y547 VanDerWaalsContact C-N 3.33Å
546	L	94.4	Very high	94.8	Very high	99 Å²	99	79.3 Å²	79.3	52%	0.518	38%	0.381	S	S	.	.	H	α-helix	trans	-68.7	-30.9	177.9	-70	180	0	0	0	113	F542 L543 F544	F542-L546 HydrophobicContact CD1-CD1 4.01Å; F542-L546 HydrophobicContact CD1-CG 4.49Å; F542-L546 HydrophobicContact CE1-CD1 3.5Å; F542-L546 HydrophobicContact CE1-CG 4.13Å; F542-L546 HydrophobicContact CZ-CD1 3.9Å; F542-L546 HydrophobicContact CZ-CD2 4.23Å; F542-L546 HydrophobicContact CZ-CG 4.14Å; F542-L546 WeakPolarHBondContact O-CG 3.39Å; F542-L546 PolarHBondContact O-N 3.01Å; L543-L546 PolarHBondContact O-N 3.32Å; F544-L546 VanDerWaalsContact C-N 3.33Å; F544-L546 PolarHBondContact O-N 2.87Å
547	Y	93.8	Very high	94.6	Very high	198 Å²	198	77.7 Å²	77.7	78%	0.776	37%	0.371	S	S	*	.	H	α-helix	trans	-78.9	-39.8	-179.4	174.1	-98.5	0	0	0	113.6	L543 F544 Y545	L543-Y547 WeakPolarHBondContact O-CB 3.24Å; L543-Y547 PolarHBondContact O-N 3.31Å; F544-Y547 PolarHBondContact O-N 3.47Å; Y545-Y547 VanDerWaalsContact C-N 3.33Å
548	L	90.5	Very high	94.5	Very high	86 Å²	86	81.2 Å²	81.2	45%	0.45	38%	0.383	S	S	.	.			trans	-58.4	0	169.4	-68.6	175.5	0	0	0	110.4	F455 K458 L459 I462 F544	F455-L548 HydrophobicContact CD2-CD1 4.25Å; F455-L548 HydrophobicContact CE2-CD1 3.72Å; K458-L548 HydrophobicContact CD-CB 4.05Å; K458-L548 WeakPolarHBondContact CE-O 3.09Å; K458-L548 WeakPolarHBondContact CE-OXT 3.37Å; K458-L548 PolarHBondContact NZ-O 3.43Å; K458-L548 PolarHBondContact NZ-OXT 3.43Å; L459-L548 HydrophobicContact CD1-CD1 4.4Å; I462-L548 HydrophobicContact CD1-CB 4.11Å; I462-L548 HydrophobicContact CD1-CD1 4.42Å; I462-L548 HydrophobicContact CD1-CD2 4.23Å; I462-L548 HydrophobicContact CD1-CG 4.49Å; F544-L548 VanDerWaalsContact O-CG 3.32Å; F544-L548 WeakPolarHBondContact O-CG 3.48Å; F544-L548 PolarHBondContact O-N 3.28Å

Retrieved 548 of 548 residues in 557.4 ms (Link to these results)

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