A0A087XDW9_POEFO Loading...

3-oxo-5-alpha-steroid 4-dehydrogenase

Converts testosterone into 5-alpha-dihydrotestosterone and progesterone or corticosterone into their corresponding 5-alpha-3-oxosteroids. It plays a central role in sexual differentiation and androgen physiology.

AlphaFold DB , UniProt , Accession A0A087XDW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 291 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	I	39.8	Very low	31.3	Very low	227 Å²	227	159.2 Å²	159.2	100%	1.164	85%	0.847	S	S	*	*				0	93.3	0	-65.3	171.3	0	0	0	106.7
2	C	27.5	Very low	31.5	Very low	123 Å²	123	154.3 Å²	154.3	83%	0.831	83%	0.83	S	S	*	*			trans	-78	139	-174.3	-69.2	0	0	0	0	111.3
3	R	28	Very low	31.6	Very low	252 Å²	252	158.2 Å²	158.2	95%	0.951	84%	0.836	S	S	*	*			trans	-99.4	116.9	159.9	-81.2	-174.6	-180	-169.3	0.4	108.2
4	V	33.2	Very low	31.8	Very low	127 Å²	127	153.4 Å²	153.4	77%	0.77	82%	0.821	S	S	*	*			trans	-105.2	116.7	169.3	175.7	0	0	0	0	106.9
5	N	29.6	Very low	31.9	Very low	152 Å²	152	153.3 Å²	153.3	81%	0.813	82%	0.818	S	S	*	*			trans	-77.6	127.1	170	-98.8	-9.5	0	0	0	109.1
6	N	33.4	Very low	32.1	Very low	140 Å²	140	156.1 Å²	156.1	75%	0.749	82%	0.822	S	S	*	*			trans	-77.7	118.9	167.7	-93.5	-17.3	0	0	0	109.4
7	S	29.7	Very low	32.3	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	80%	0.804	S	S	*	*			trans	-139.3	93.5	164.1	-58.4	0	0	0	0	107.5	G9	S7-G9 PolarHBondContact O-N 3.26Å
8	F	34.7	Very low	32.5	Very low	211 Å²	211	149.6 Å²	149.6	93%	0.925	80%	0.799	S	S	*	*			trans	-72.8	83.7	165.3	-90	-89.2	0	0	0	107.9
9	G	29.5	Very low	33.2	Very low	64 Å²	64	148.5 Å²	148.5	66%	0.66	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-84.6	134.2	167	0	0	0	0	0	110	S7	S7-G9 PolarHBondContact O-N 3.26Å
10	Q	29.7	Very low	33.6	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-49.4	139.5	-178.1	-63.2	-179.4	-33.4	0	0	113.5	P12	Q10-P12 WeakPolarHBondContact O-CD 3.44Å
11	I	29.6	Very low	34.7	Very low	156 Å²	156	146.5 Å²	146.5	80%	0.8	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-73.4	117.2	168.5	-58.6	166.2	0	0	0	107.4	F13	I11-F13 PolarHBondContact O-N 3.02Å
12	P	33.8	Very low	35.3	Very low	100 Å²	100	140 Å²	140	65%	0.649	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-79.3	120.1	172.2	30.3	-27.3	0	0	0	109	Q10 S14	Q10-P12 WeakPolarHBondContact O-CD 3.44Å; P12-S14 PolarHBondContact O-N 3.19Å
13	F	32.8	Very low	36.6	Very low	206 Å²	206	135.6 Å²	135.6	90%	0.904	71%	0.712	S	S	*	*			trans	-68.5	81.3	163.3	-114.4	-94.8	0	0	0	108.3	I11	I11-F13 PolarHBondContact O-N 3.02Å
14	S	34	Very low	38.1	Very low	90 Å²	90	127.3 Å²	127.3	63%	0.629	69%	0.689	S	S	*	*			trans	-109.6	84.6	172.7	56.5	0	0	0	0	109.8	P12	P12-S14 PolarHBondContact O-N 3.19Å
15	I	33	Very low	39.4	Very low	152 Å²	152	124 Å²	124	78%	0.779	68%	0.676	S	S	*	*			trans	-122.6	72.4	152.8	-56.4	178.4	0	0	0	106.1	V17	I15-V17 HydrophobicContact CG2-CG2 4.3Å
16	F	35.2	Very low	40.9	Very low	198 Å²	198	119.5 Å²	119.5	87%	0.868	65%	0.65	S	S	*	*			trans	-86.4	101.2	163.5	-97.9	-92	0	0	0	107.1
17	V	34.9	Very low	42.2	Very low	86 Å²	86	114.9 Å²	114.9	52%	0.521	63%	0.625	S	S	.	*			trans	-80.2	131.8	158.7	-178.8	0	0	0	0	106.3	I15 F19	I15-V17 HydrophobicContact CG2-CG2 4.3Å; V17-F19 HydrophobicContact CB-CD2 4.02Å; V17-F19 HydrophobicContact CB-CE2 3.88Å; V17-F19 HydrophobicContact CG1-CD2 4Å; V17-F19 HydrophobicContact CG1-CE2 3.71Å; V17-F19 HydrophobicContact CG1-CZ 4.48Å; V17-F19 PolarHBondContact O-N 2.92Å
18	P	37.4	Very low	43.7	Very low	109 Å²	109	113.7 Å²	113.7	71%	0.708	61%	0.613	S	S	*	*			trans	-76	89.5	-174.5	31.1	-32.2	0	0	0	110	F20	P18-F20 PolarHBondContact O-N 3.05Å
19	F	44.3	Very low	45.2	Very low	130 Å²	130	108.9 Å²	108.9	57%	0.57	59%	0.592	S	S	*	*			trans	-86.6	29.3	170.1	-81.2	-83.4	0	0	0	112.7	V17 P21	V17-F19 HydrophobicContact CB-CD2 4.02Å; V17-F19 HydrophobicContact CB-CE2 3.88Å; V17-F19 HydrophobicContact CG1-CD2 4Å; V17-F19 HydrophobicContact CG1-CE2 3.71Å; V17-F19 HydrophobicContact CG1-CZ 4.48Å; V17-F19 PolarHBondContact O-N 2.92Å; F19-P21 WeakPolarHBondContact O-CD 3.43Å
20	F	42.8	Very low	46.7	Very low	159 Å²	159	106.3 Å²	106.3	70%	0.697	56%	0.563	S	S	*	*	H	α-helix	trans	-59.6	-25.6	-175.4	-114.7	-94.3	0	0	0	117.4	P18 S23 V24	P18-F20 PolarHBondContact O-N 3.05Å; F20-S23 PolarHBondContact O-OG 3.29Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å
21	P	55.1	Low	48.2	Very low	96 Å²	96	100.9 Å²	100.9	62%	0.623	55%	0.546	S	S	*	.	H	α-helix	trans	-78.6	-34.7	-176.8	-0.3	11.5	0	0	0	114	F19 A25	F19-P21 WeakPolarHBondContact O-CD 3.43Å; P21-A25 WeakPolarHBondContact O-CB 3.38Å; P21-A25 PolarHBondContact O-N 2.91Å
22	L	53.9	Low	49.8	Very low	91 Å²	91	103.5 Å²	103.5	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-77.5	-32.4	-176.4	-98.6	91	0	0	0	112.5	A25 M26 W104	L22-A25 PolarHBondContact O-N 2.9Å; L22-M26 PolarHBondContact O-N 3.15Å; L22-M26 VanDerWaalsContact O-N 3.11Å; L22-W104 HydrophobicContact CB-CD2 4.29Å; L22-W104 HydrophobicContact CB-CG 3.89Å; L22-W104 HydrophobicContact CD2-CD2 4.04Å; L22-W104 HydrophobicContact CD2-CE3 4.44Å; L22-W104 HydrophobicContact CD2-CG 4.47Å; L22-W104 HydrophobicContact CD2-CZ2 4.06Å
23	S	54.7	Low	51.1	Low	30 Å²	30	102.9 Å²	102.9	21%	0.21	54%	0.537	C	S	.	.	H	α-helix	trans	-66.7	-44.4	-180	55.3	0	0	0	0	112.1	F20 A25 M26 D27 W104	F20-S23 PolarHBondContact O-OG 3.29Å; S23-A25 VanDerWaalsContact C-N 3.32Å; S23-A25 PolarHBondContact O-N 3.15Å; S23-M26 PolarHBondContact O-N 3.3Å; S23-D27 PolarHBondContact O-N 3.04Å; S23-W104 WeakPolarHBondContact CA-O 3.46Å
24	V	58.9	Low	52.8	Low	78 Å²	78	94 Å²	94	47%	0.473	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-38.1	175.2	179.2	0	0	0	0	111.1	F20 M26 D27 V28	F20-V24 WeakPolarHBondContact O-CG2 3.4Å; V24-M26 PolarHBondContact O-N 3.47Å; V24-D27 PolarHBondContact O-N 3.32Å; V24-V28 HydrophobicContact CG1-CG2 4.16Å; V24-V28 VanDerWaalsContact O-CB 3.31Å; V24-V28 WeakPolarHBondContact O-CB 3.47Å; V24-V28 WeakPolarHBondContact O-CG2 3.18Å; V24-V28 PolarHBondContact O-N 3.11Å
25	A	59.8	Low	54.2	Low	58 Å²	58	94.9 Å²	94.9	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-39.5	179.1	0	0	0	0	0	113	P21 L22 S23 F29	P21-A25 WeakPolarHBondContact O-CB 3.38Å; P21-A25 PolarHBondContact O-N 2.91Å; L22-A25 PolarHBondContact O-N 2.9Å; S23-A25 VanDerWaalsContact C-N 3.32Å; S23-A25 PolarHBondContact O-N 3.15Å; A25-F29 WeakPolarHBondContact O-CB 3.41Å; A25-F29 PolarHBondContact O-N 3.42Å
26	M	62.5	Low	56.2	Low	56 Å²	56	90.6 Å²	90.6	28%	0.276	49%	0.488	S	S	.	.	H	α-helix	trans	-70.8	-41.7	176.5	-170	61.9	69.3	0	0	111.4	L22 S23 V24 V28 F29 L30 T105	L22-M26 PolarHBondContact O-N 3.15Å; L22-M26 VanDerWaalsContact O-N 3.11Å; S23-M26 PolarHBondContact O-N 3.3Å; V24-M26 PolarHBondContact O-N 3.47Å; M26-V28 VanDerWaalsContact C-N 3.31Å; M26-V28 PolarHBondContact O-N 3.45Å; M26-F29 WeakPolarHBondContact O-CB 3.38Å; M26-F29 PolarHBondContact O-N 3.39Å; M26-F29 HydrophobicContact SD-CD1 4.24Å; M26-L30 HydrophobicContact CG-CD1 4.21Å; M26-L30 WeakPolarHBondContact O-CB 3.44Å; M26-L30 WeakPolarHBondContact O-CG 3.49Å; M26-L30 PolarHBondContact O-N 3.19Å; M26-T105 WeakPolarHBondContact CG-OG1 3.4Å
27	D	60.7	Low	58.1	Low	43 Å²	43	87.9 Å²	87.9	23%	0.23	48%	0.478	C	S	.	.	H	α-helix	trans	-65.4	-35.3	176.7	-72.2	-5.3	0	0	0	111.6	S23 V24 S31 T105 S106	S23-D27 PolarHBondContact O-N 3.04Å; V24-D27 PolarHBondContact O-N 3.32Å; D27-S31 VanDerWaalsContact O-CB 3.32Å; D27-S31 WeakPolarHBondContact O-CB 3.47Å; D27-S31 PolarHBondContact O-N 3.04Å; D27-S31 PolarHBondContact O-OG 3.22Å; D27-T105 WeakPolarHBondContact OD1-CA 3.47Å; D27-T105 WeakPolarHBondContact OD1-CB 3.4Å; D27-T105 WeakPolarHBondContact OD1-CG2 3.21Å; D27-T105 PolarHBondContact OD1-OG1 3Å; D27-S106 WeakPolarHBondContact OD2-CB 3.44Å; D27-S106 PolarHBondContact OD2-N 2.83Å; D27-S106 PolarHBondContact OD2-OG 3.34Å
28	V	59.8	Low	60.2	Low	85 Å²	85	89.5 Å²	89.5	52%	0.515	49%	0.487	S	S	.	.	H	α-helix	trans	-67.3	-40.5	171.3	170	0	0	0	0	111.8	V24 M26 S31 W32	V24-V28 HydrophobicContact CG1-CG2 4.16Å; V24-V28 VanDerWaalsContact O-CB 3.31Å; V24-V28 WeakPolarHBondContact O-CB 3.47Å; V24-V28 WeakPolarHBondContact O-CG2 3.18Å; V24-V28 PolarHBondContact O-N 3.11Å; M26-V28 VanDerWaalsContact C-N 3.31Å; M26-V28 PolarHBondContact O-N 3.45Å; V28-S31 VanDerWaalsContact CA-OG 3.29Å; V28-S31 WeakPolarHBondContact CA-OG 3.39Å; V28-S31 PolarHBondContact O-OG 3.32Å; V28-S31 VanDerWaalsContact O-OG 3.05Å; V28-W32 WeakPolarHBondContact O-CB 3.31Å; V28-W32 PolarHBondContact O-N 2.9Å
29	F	66.2	Low	62.4	Low	110 Å²	110	88 Å²	88	48%	0.482	47%	0.471	S	S	.	.	H	α-helix	trans	-64	-44.4	174.8	176.5	-99.7	0	0	0	112	A25 M26 W32 L33	A25-F29 WeakPolarHBondContact O-CB 3.41Å; A25-F29 PolarHBondContact O-N 3.42Å; M26-F29 WeakPolarHBondContact O-CB 3.38Å; M26-F29 PolarHBondContact O-N 3.39Å; M26-F29 HydrophobicContact SD-CD1 4.24Å; F29-W32 WeakPolarHBondContact O-CB 3.43Å; F29-W32 PolarHBondContact O-N 2.91Å; F29-L33 PolarHBondContact O-N 2.83Å
30	L	61.8	Low	64.2	Low	10 Å²	10	82.1 Å²	82.1	5%	0.052	45%	0.445	C	S	.	.	H	α-helix	trans	-68.3	-38	178.5	-69.8	173.3	0	0	0	112.1	M26 W32 L33 F34 L101 T105 Y161	M26-L30 HydrophobicContact CG-CD1 4.21Å; M26-L30 WeakPolarHBondContact O-CB 3.44Å; M26-L30 WeakPolarHBondContact O-CG 3.49Å; M26-L30 PolarHBondContact O-N 3.19Å; L30-W32 VanDerWaalsContact C-N 3.31Å; L30-L33 CarbonylContact O-C 3.58Å; L30-L33 PolarHBondContact O-N 3.42Å; L30-L33 VanDerWaalsContact O-N 3.16Å; L30-F34 HydrophobicContact CD2-CD2 4.5Å; L30-F34 HydrophobicContact CD2-CE2 4.14Å; L30-F34 WeakPolarHBondContact O-CD2 3.44Å; L30-F34 PolarHBondContact O-N 3.24Å; L30-L101 HydrophobicContact CD1-CD2 4.41Å; L30-T105 HydrophobicContact CD1-CG2 4.23Å; L30-Y161 HydrophobicContact CD2-CE2 4.06Å
31	S	61.7	Low	66.1	Low	76 Å²	76	77.2 Å²	77.2	53%	0.531	43%	0.426	S	S	.	.	H	α-helix	trans	-72.1	-23.3	174.3	55.4	0	0	0	0	113.6	D27 V28 F34	D27-S31 VanDerWaalsContact O-CB 3.32Å; D27-S31 WeakPolarHBondContact O-CB 3.47Å; D27-S31 PolarHBondContact O-N 3.04Å; D27-S31 PolarHBondContact O-OG 3.22Å; V28-S31 VanDerWaalsContact CA-OG 3.29Å; V28-S31 WeakPolarHBondContact CA-OG 3.39Å; V28-S31 PolarHBondContact O-OG 3.32Å; V28-S31 VanDerWaalsContact O-OG 3.05Å; S31-F34 CarbonylContact C-O 3.34Å; S31-F34 WeakPolarHBondContact CA-O 3.23Å
32	W	62	Low	67.6	Low	210 Å²	210	80.1 Å²	80.1	80%	0.795	43%	0.426	S	S	*	.	H	α-helix	trans	-72.2	-34.9	167	-169.8	76.3	0	0	0	111.8	V28 F29 L30	V28-W32 WeakPolarHBondContact O-CB 3.31Å; V28-W32 PolarHBondContact O-N 2.9Å; F29-W32 WeakPolarHBondContact O-CB 3.43Å; F29-W32 PolarHBondContact O-N 2.91Å; L30-W32 VanDerWaalsContact C-N 3.31Å
33	L	62.3	Low	69.2	Low	88 Å²	88	78.2 Å²	78.2	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-78.4	-32.8	179	-150.1	77.1	0	0	0	112.8	F29 L30	F29-L33 PolarHBondContact O-N 2.83Å; L30-L33 CarbonylContact O-C 3.58Å; L30-L33 PolarHBondContact O-N 3.42Å; L30-L33 VanDerWaalsContact O-N 3.16Å
34	F	67.9	Low	70.8	Confident	20 Å²	20	76.8 Å²	76.8	9%	0.088	41%	0.406	C	S	.	.			trans	-130.7	122.9	-176.1	-53.3	-65.2	0	0	0	111.2	L30 S31 S36 E40 I43 Y161	L30-F34 HydrophobicContact CD2-CD2 4.5Å; L30-F34 HydrophobicContact CD2-CE2 4.14Å; L30-F34 WeakPolarHBondContact O-CD2 3.44Å; L30-F34 PolarHBondContact O-N 3.24Å; S31-F34 CarbonylContact C-O 3.34Å; S31-F34 WeakPolarHBondContact CA-O 3.23Å; F34-S36 VanDerWaalsContact C-N 3.34Å; F34-S36 PolarHBondContact O-N 3.18Å; F34-E40 HydrophobicContact CB-CB 4.11Å; F34-E40 HydrophobicContact CD1-CB 4.26Å; F34-E40 HydrophobicContact CD1-CG 4.43Å; F34-E40 HydrophobicContact CD2-CB 4.25Å; F34-E40 HydrophobicContact CD2-CG 3.91Å; F34-E40 HydrophobicContact CE2-CG 4.11Å; F34-E40 HydrophobicContact CG-CB 3.94Å; F34-E40 HydrophobicContact CG-CG 4.08Å; F34-E40 HydrophobicContact CZ-CG 4.42Å; F34-I43 HydrophobicContact CD1-CD1 3.54Å; F34-I43 HydrophobicContact CE1-CB 4.29Å; F34-I43 HydrophobicContact CE1-CD1 3.47Å; F34-I43 VanDerWaalsContact CE1-CD1 3.47Å; F34-I43 HydrophobicContact CE1-CG1 4.47Å; F34-I43 HydrophobicContact CE1-CG2 4.05Å; F34-Y161 WeakPolarHBondContact CE2-OH 3.31Å; F34-Y161 HydrophobicContact CZ-CE1 4.5Å; F34-Y161 WeakPolarHBondContact CZ-OH 3.06Å
35	S	63.7	Low	72.3	Confident	108 Å²	108	75.5 Å²	75.5	76%	0.755	40%	0.396	S	S	*	.	S	Bend	trans	-79.3	-15.7	-176.5	-48.8	0	0	0	0	113.4	Q39	S35-Q39 VanDerWaalsContact N-OE1 3.07Å
36	S	73.9	Confident	73.7	Confident	61 Å²	61	75.2 Å²	75.2	43%	0.427	39%	0.39	S	S	.	.			trans	-156.7	155.8	175.3	65.6	0	0	0	0	113.1	F34 V38 Q39 E40	F34-S36 VanDerWaalsContact C-N 3.34Å; F34-S36 PolarHBondContact O-N 3.18Å; S36-V38 VanDerWaalsContact C-N 3.29Å; S36-V38 PolarHBondContact O-N 2.99Å; S36-Q39 WeakPolarHBondContact O-CB 3.17Å; S36-Q39 PolarHBondContact O-N 2.78Å; S36-Q39 VanDerWaalsContact O-N 3.16Å; S36-Q39 VanDerWaalsContact OG-CB 3.26Å; S36-Q39 WeakPolarHBondContact OG-CB 3.43Å; S36-Q39 PolarHBondContact OG-N 2.78Å; S36-E40 PolarHBondContact O-N 3.46Å
37	E	75.7	Confident	75.1	Confident	142 Å²	142	73.7 Å²	73.7	66%	0.664	38%	0.382	S	S	*	.	H	α-helix	trans	-60.5	-36.1	176.1	-64	-174.8	166.7	0	0	112.6	Q39 E40 L41 Y170	E37-Q39 VanDerWaalsContact C-N 3.34Å; E37-Q39 PolarHBondContact O-N 2.97Å; E37-E40 PolarHBondContact O-N 3.43Å; E37-L41 PolarHBondContact O-N 2.73Å; E37-Y170 HydrophobicContact CB-CE1 4.38Å; E37-Y170 PolarHBondContact O-OH 3.34Å; E37-Y170 VanDerWaalsContact O-OH 3.09Å
38	V	79	Confident	76.5	Confident	119 Å²	119	71.7 Å²	71.7	72%	0.721	37%	0.371	S	S	*	.	H	α-helix	trans	-65.6	-39.6	176.5	179.6	0	0	0	0	111.1	S36 Y42	S36-V38 VanDerWaalsContact C-N 3.29Å; S36-V38 PolarHBondContact O-N 2.99Å; V38-Y42 WeakPolarHBondContact O-CB 3.34Å; V38-Y42 PolarHBondContact O-N 2.8Å
39	Q	83.2	Confident	78.1	Confident	78 Å²	78	74.6 Å²	74.6	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-67.3	-39	176.6	-175.4	-177.7	19.1	0	0	111.4	S35 S36 E37 Y42 I43	S35-Q39 VanDerWaalsContact N-OE1 3.07Å; S36-Q39 WeakPolarHBondContact O-CB 3.17Å; S36-Q39 PolarHBondContact O-N 2.78Å; S36-Q39 VanDerWaalsContact O-N 3.16Å; S36-Q39 VanDerWaalsContact OG-CB 3.26Å; S36-Q39 WeakPolarHBondContact OG-CB 3.43Å; S36-Q39 PolarHBondContact OG-N 2.78Å; E37-Q39 VanDerWaalsContact C-N 3.34Å; E37-Q39 PolarHBondContact O-N 2.97Å; Q39-Y42 PolarHBondContact O-N 2.62Å; Q39-I43 HydrophobicContact CG-CD1 4.04Å; Q39-I43 VanDerWaalsContact O-CG1 3.28Å; Q39-I43 WeakPolarHBondContact O-CG1 3.42Å; Q39-I43 PolarHBondContact O-N 3.37Å
40	E	81.8	Confident	79.3	Confident	7 Å²	7	74.6 Å²	74.6	3%	0.033	37%	0.374	C	S	.	.	H	α-helix	trans	-64.9	-45	176.9	-177.4	177.4	-147.4	0	0	111.5	F34 S36 E37 Y42 I43 L44 Y161 R165 Y170	F34-E40 HydrophobicContact CB-CB 4.11Å; F34-E40 HydrophobicContact CD1-CB 4.26Å; F34-E40 HydrophobicContact CD1-CG 4.43Å; F34-E40 HydrophobicContact CD2-CB 4.25Å; F34-E40 HydrophobicContact CD2-CG 3.91Å; F34-E40 HydrophobicContact CE2-CG 4.11Å; F34-E40 HydrophobicContact CG-CB 3.94Å; F34-E40 HydrophobicContact CG-CG 4.08Å; F34-E40 HydrophobicContact CZ-CG 4.42Å; S36-E40 PolarHBondContact O-N 3.46Å; E37-E40 PolarHBondContact O-N 3.43Å; E40-Y42 VanDerWaalsContact C-N 3.33Å; E40-Y42 PolarHBondContact O-N 2.75Å; E40-I43 PolarHBondContact O-N 2.86Å; E40-I43 VanDerWaalsContact O-N 3.13Å; E40-L44 HydrophobicContact CG-CD1 4.48Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 2.88Å; E40-Y161 PolarHBondContact OE1-OH 2.71Å; E40-R165 VanDerWaalsContact CD-NE 3.29Å; E40-R165 IonicContact OE1-CZ 3.34Å; E40-R165 IonicContact OE1-NE 2.67Å; E40-R165 PolarHBondContact OE1-NE 3.27Å; E40-R165 IonicContact OE1-NH2 3.28Å; E40-R165 PolarHBondContact OE1-NH2 3.05Å; E40-R165 IonicContact OE2-CZ 3.43Å; E40-R165 IonicContact OE2-NE 3.31Å; E40-R165 PolarHBondContact OE2-NE 3.46Å; E40-R165 IonicContact OE2-NH2 2.75Å; E40-R165 PolarHBondContact OE2-NH2 2.71Å; E40-Y170 WeakPolarHBondContact CB-OH 3.34Å; E40-Y170 HydrophobicContact CG-CE2 4.2Å; E40-Y170 PolarHBondContact OE2-OH 2.75Å
41	L	84.3	Confident	80.8	Confident	56 Å²	56	74.3 Å²	74.3	29%	0.293	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-43.5	174.4	-177.5	61.1	0	0	0	112	E37 I43 L44 D45 Y166 Y170	E37-L41 PolarHBondContact O-N 2.73Å; L41-I43 VanDerWaalsContact C-N 3.28Å; L41-I43 PolarHBondContact O-N 3.2Å; L41-L44 PolarHBondContact O-N 3Å; L41-D45 PolarHBondContact O-N 3.39Å; L41-Y166 HydrophobicContact CD1-CD2 4.25Å; L41-Y166 HydrophobicContact CD1-CE2 4.21Å; L41-Y170 HydrophobicContact CB-CD1 4.03Å; L41-Y170 HydrophobicContact CB-CE1 3.9Å; L41-Y170 HydrophobicContact CD1-CD1 3.97Å; L41-Y170 HydrophobicContact CD1-CD2 4.32Å; L41-Y170 HydrophobicContact CD1-CG 3.8Å; L41-Y170 HydrophobicContact CD2-CD1 4.23Å; L41-Y170 HydrophobicContact CG-CD1 4.3Å
42	Y	86.9	Confident	82.2	Confident	156 Å²	156	74.1 Å²	74.1	61%	0.612	36%	0.361	S	S	*	.	H	α-helix	trans	-60	-39	175.8	177.3	-101.1	0	0	0	112.2	V38 Q39 E40 D45 C46	V38-Y42 WeakPolarHBondContact O-CB 3.34Å; V38-Y42 PolarHBondContact O-N 2.8Å; Q39-Y42 PolarHBondContact O-N 2.62Å; E40-Y42 VanDerWaalsContact C-N 3.33Å; E40-Y42 PolarHBondContact O-N 2.75Å; Y42-D45 PolarHBondContact O-N 3.19Å; Y42-C46 WeakPolarHBondContact CE1-SG 3.33Å; Y42-C46 VanDerWaalsContact CZ-SG 3.51Å; Y42-C46 WeakPolarHBondContact O-CB 3.49Å; Y42-C46 PolarHBondContact O-N 3.21Å; Y42-C46 PolarHBondContact O-SG 3.33Å
43	I	87.1	Confident	83.6	Confident	52 Å²	52	70.4 Å²	70.4	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-67.9	-41.8	176.8	-71.2	166.3	0	0	0	110.6	F34 Q39 E40 L41 D45 C46 M47	F34-I43 HydrophobicContact CD1-CD1 3.54Å; F34-I43 HydrophobicContact CE1-CB 4.29Å; F34-I43 HydrophobicContact CE1-CD1 3.47Å; F34-I43 VanDerWaalsContact CE1-CD1 3.47Å; F34-I43 HydrophobicContact CE1-CG1 4.47Å; F34-I43 HydrophobicContact CE1-CG2 4.05Å; Q39-I43 HydrophobicContact CG-CD1 4.04Å; Q39-I43 VanDerWaalsContact O-CG1 3.28Å; Q39-I43 WeakPolarHBondContact O-CG1 3.42Å; Q39-I43 PolarHBondContact O-N 3.37Å; E40-I43 PolarHBondContact O-N 2.86Å; E40-I43 VanDerWaalsContact O-N 3.13Å; L41-I43 VanDerWaalsContact C-N 3.28Å; L41-I43 PolarHBondContact O-N 3.2Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.32Å; I43-C46 WeakPolarHBondContact O-CB 3.5Å; I43-C46 PolarHBondContact O-N 2.76Å; I43-M47 HydrophobicContact CG2-CG 4.45Å; I43-M47 HydrophobicContact CG2-SD 4.21Å; I43-M47 VanDerWaalsContact O-CG 3.22Å; I43-M47 WeakPolarHBondContact O-CG 3.42Å; I43-M47 PolarHBondContact O-N 3.09Å
44	L	88.4	Confident	84.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.4	-42.9	175	-67.7	172.6	0	0	0	111.7	E40 L41 M47 A48 Y161 M162 R165 Y170 H249	E40-L44 HydrophobicContact CG-CD1 4.48Å; E40-L44 WeakPolarHBondContact O-CG 3.4Å; E40-L44 PolarHBondContact O-N 2.88Å; L41-L44 PolarHBondContact O-N 3Å; L44-M47 HydrophobicContact CD2-SD 4.18Å; L44-M47 VanDerWaalsContact O-CB 3.31Å; L44-M47 WeakPolarHBondContact O-CB 3.46Å; L44-M47 PolarHBondContact O-N 3.48Å; L44-A48 PolarHBondContact O-N 3.34Å; L44-Y161 HydrophobicContact CD2-CD1 4.34Å; L44-Y161 HydrophobicContact CD2-CE1 3.85Å; L44-M162 HydrophobicContact CD2-CG 4.46Å; L44-R165 HydrophobicContact CD1-CB 4.46Å; L44-R165 HydrophobicContact CD1-CG 4.06Å; L44-R165 HydrophobicContact CD2-CB 4.36Å; L44-R165 HydrophobicContact CD2-CG 4.44Å; L44-Y170 HydrophobicContact CD1-CD2 3.71Å; L44-Y170 HydrophobicContact CD1-CE2 3.75Å; L44-H249 WeakPolarHBondContact CB-NE2 3.02Å; L44-H249 PolarHBondContact O-CD2 3.41Å; L44-H249 PolarHBondContact O-NE2 3.05Å
45	D	89.8	Confident	86	Confident	51 Å²	51	68.1 Å²	68.1	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-44.3	175	-76.4	-26.7	0	0	0	111.2	L41 Y42 I43 M47 A48 Y49 H249	L41-D45 PolarHBondContact O-N 3.39Å; Y42-D45 PolarHBondContact O-N 3.19Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.32Å; D45-M47 PolarHBondContact O-N 2.98Å; D45-A48 WeakPolarHBondContact O-CB 3.47Å; D45-A48 PolarHBondContact O-N 2.93Å; D45-A48 VanDerWaalsContact O-N 3.09Å; D45-Y49 HydrophobicContact CB-CE2 4.22Å; D45-Y49 WeakPolarHBondContact O-CD2 3.36Å; D45-Y49 PolarHBondContact O-N 2.95Å; D45-H249 PolarHBondContact N-NE2 2.92Å; D45-H249 IonicContact OD1-CE1 2.76Å; D45-H249 PolarHBondContact OD1-CE1 3.39Å; D45-H249 IonicContact OD1-NE2 3.42Å; D45-H249 PolarHBondContact OD1-NE2 3.2Å
46	C	89.7	Confident	87.3	Confident	51 Å²	51	65.8 Å²	65.8	35%	0.345	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-38	173.6	-71.8	0	0	0	0	111.7	Y42 I43 F50	Y42-C46 WeakPolarHBondContact CE1-SG 3.33Å; Y42-C46 VanDerWaalsContact CZ-SG 3.51Å; Y42-C46 WeakPolarHBondContact O-CB 3.49Å; Y42-C46 PolarHBondContact O-N 3.21Å; Y42-C46 PolarHBondContact O-SG 3.33Å; I43-C46 WeakPolarHBondContact O-CB 3.5Å; I43-C46 PolarHBondContact O-N 2.76Å; C46-F50 VanDerWaalsContact O-CB 3.25Å; C46-F50 WeakPolarHBondContact O-CB 3.4Å; C46-F50 PolarHBondContact O-N 2.89Å
47	M	90.9	Very high	88	Confident	25 Å²	25	68.5 Å²	68.5	12%	0.123	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-48.5	173.1	-68.6	169.9	73	0	0	110.6	I43 L44 D45 Y49 F50 M51 Y158 Y161 M162	I43-M47 HydrophobicContact CG2-CG 4.45Å; I43-M47 HydrophobicContact CG2-SD 4.21Å; I43-M47 VanDerWaalsContact O-CG 3.22Å; I43-M47 WeakPolarHBondContact O-CG 3.42Å; I43-M47 PolarHBondContact O-N 3.09Å; L44-M47 HydrophobicContact CD2-SD 4.18Å; L44-M47 VanDerWaalsContact O-CB 3.31Å; L44-M47 WeakPolarHBondContact O-CB 3.46Å; L44-M47 PolarHBondContact O-N 3.48Å; D45-M47 PolarHBondContact O-N 2.98Å; M47-Y49 PolarHBondContact O-N 3.36Å; M47-F50 PolarHBondContact O-N 3.25Å; M47-M51 PolarHBondContact O-N 3.15Å; M47-Y158 WeakPolarHBondContact CA-OH 3.13Å; M47-Y158 HydrophobicContact CB-CE2 3.92Å; M47-Y158 VanDerWaalsContact CB-OH 3.29Å; M47-Y158 WeakPolarHBondContact CB-OH 3.28Å; M47-Y158 HydrophobicContact CE-CD2 3.33Å; M47-Y158 HydrophobicContact CE-CE1 4.5Å; M47-Y158 HydrophobicContact CE-CE2 3.28Å; M47-Y158 HydrophobicContact CE-CG 4Å; M47-Y158 HydrophobicContact CG-CE2 3.71Å; M47-Y158 PolarHBondContact O-OH 3.48Å; M47-Y158 HydrophobicContact SD-CE2 4.31Å; M47-Y161 HydrophobicContact CE-CD1 4.05Å; M47-Y161 HydrophobicContact SD-CD1 4.39Å; M47-Y161 HydrophobicContact SD-CE1 4.38Å; M47-M162 HydrophobicContact CB-CG 4.37Å; M47-M162 HydrophobicContact CB-SD 4.02Å; M47-M162 HydrophobicContact CE-CB 3.95Å
48	A	91.2	Very high	88.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-45.9	177.4	0	0	0	0	0	112.3	L44 D45 M51 Y52 M162 A248 A252	L44-A48 PolarHBondContact O-N 3.34Å; D45-A48 WeakPolarHBondContact O-CB 3.47Å; D45-A48 PolarHBondContact O-N 2.93Å; D45-A48 VanDerWaalsContact O-N 3.09Å; A48-M51 WeakPolarHBondContact O-CB 3.39Å; A48-M51 PolarHBondContact O-N 3.19Å; A48-Y52 WeakPolarHBondContact O-CD2 3.38Å; A48-Y52 PolarHBondContact O-N 3.01Å; A48-M162 HydrophobicContact CB-SD 4.22Å; A48-A248 HydrophobicContact CB-CB 4.37Å; A48-A252 HydrophobicContact CB-CB 4.19Å; A48-A252 WeakPolarHBondContact O-CB 3.46Å
49	Y	91.8	Very high	88.9	Confident	147 Å²	147	61.8 Å²	61.8	58%	0.576	29%	0.292	S	S	*	.	H	α-helix	trans	-65.2	-39.5	176.7	-67.8	-59.4	0	0	0	113	D45 M47 M51 Y52 F53	D45-Y49 HydrophobicContact CB-CE2 4.22Å; D45-Y49 WeakPolarHBondContact O-CD2 3.36Å; D45-Y49 PolarHBondContact O-N 2.95Å; M47-Y49 PolarHBondContact O-N 3.36Å; Y49-M51 VanDerWaalsContact C-N 3.29Å; Y49-M51 PolarHBondContact O-N 3.5Å; Y49-Y52 HydrophobicContact CD1-CD2 4.38Å; Y49-Y52 WeakPolarHBondContact O-CB 3.43Å; Y49-Y52 PolarHBondContact O-N 2.74Å; Y49-F53 PolarHBondContact O-N 3.08Å
50	F	92.3	Very high	89.1	Confident	110 Å²	110	61.7 Å²	61.7	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-62	-39	172.8	-178.4	-104.7	0	0	0	111.4	C46 M47 Y52 F53 M54	C46-F50 VanDerWaalsContact O-CB 3.25Å; C46-F50 WeakPolarHBondContact O-CB 3.4Å; C46-F50 PolarHBondContact O-N 2.89Å; M47-F50 PolarHBondContact O-N 3.25Å; F50-Y52 PolarHBondContact O-N 2.99Å; F50-F53 HydrophobicContact CE2-CD1 4.44Å; F50-F53 WeakPolarHBondContact O-CB 3.14Å; F50-F53 PolarHBondContact O-N 2.92Å; F50-M54 HydrophobicContact CD1-CG 3.92Å; F50-M54 HydrophobicContact CD2-CG 4.44Å; F50-M54 HydrophobicContact CE1-CG 3.48Å; F50-M54 VanDerWaalsContact CE1-CG 3.48Å; F50-M54 HydrophobicContact CE1-SD 4.19Å; F50-M54 HydrophobicContact CE2-CG 4.05Å; F50-M54 HydrophobicContact CE2-SD 4.15Å; F50-M54 HydrophobicContact CG-CG 4.39Å; F50-M54 HydrophobicContact CZ-CG 3.56Å; F50-M54 HydrophobicContact CZ-SD 3.68Å; F50-M54 WeakPolarHBondContact O-CB 3.07Å; F50-M54 VanDerWaalsContact O-CG 3.31Å; F50-M54 WeakPolarHBondContact O-CG 3.42Å; F50-M54 PolarHBondContact O-N 2.85Å
51	M	92.6	Very high	89.3	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-38	175.7	-171.8	-178.1	-67.5	0	0	112	M47 A48 Y49 M54 A55 F155 Y158 N159 M162 A252 F253 F256	M47-M51 PolarHBondContact O-N 3.15Å; A48-M51 WeakPolarHBondContact O-CB 3.39Å; A48-M51 PolarHBondContact O-N 3.19Å; Y49-M51 VanDerWaalsContact C-N 3.29Å; Y49-M51 PolarHBondContact O-N 3.5Å; M51-M54 PolarHBondContact O-N 2.92Å; M51-A55 WeakPolarHBondContact O-CB 3.41Å; M51-A55 PolarHBondContact O-N 3.36Å; M51-F155 HydrophobicContact CE-CE2 4.01Å; M51-F155 HydrophobicContact CE-CZ 4.41Å; M51-F155 HydrophobicContact SD-CE2 4.44Å; M51-Y158 HydrophobicContact CB-CE1 4.33Å; M51-Y158 HydrophobicContact CE-CD1 3.7Å; M51-Y158 HydrophobicContact CE-CE1 3.42Å; M51-Y158 VanDerWaalsContact CE-CE1 3.42Å; M51-N159 HydrophobicContact CE-CB 4.28Å; M51-M162 HydrophobicContact CE-CE 3.47Å; M51-M162 VanDerWaalsContact CE-CE 3.47Å; M51-M162 HydrophobicContact CE-SD 4.19Å; M51-M162 HydrophobicContact SD-CE 4.08Å; M51-A252 HydrophobicContact CB-CB 4.15Å; M51-A252 HydrophobicContact CG-CB 4.33Å; M51-A252 HydrophobicContact SD-CB 4.06Å; M51-F253 VanDerWaalsContact SD-CA 3.54Å; M51-F253 HydrophobicContact SD-CB 4.09Å; M51-F253 HydrophobicContact SD-CD2 4.5Å; M51-F256 HydrophobicContact CG-CB 3.94Å; M51-F256 HydrophobicContact CG-CD2 4.25Å; M51-F256 HydrophobicContact CG-CG 4.19Å; M51-F256 HydrophobicContact SD-CB 4.14Å
52	Y	91.9	Very high	89.3	Confident	73 Å²	73	61.8 Å²	61.8	29%	0.286	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-45.2	171.4	-76.7	-65.7	0	0	0	112.4	A48 Y49 F50 M54 A55 A56 A248 A251 A252 V255	A48-Y52 WeakPolarHBondContact O-CD2 3.38Å; A48-Y52 PolarHBondContact O-N 3.01Å; Y49-Y52 HydrophobicContact CD1-CD2 4.38Å; Y49-Y52 WeakPolarHBondContact O-CB 3.43Å; Y49-Y52 PolarHBondContact O-N 2.74Å; F50-Y52 PolarHBondContact O-N 2.99Å; Y52-M54 VanDerWaalsContact C-N 3.34Å; Y52-M54 PolarHBondContact O-N 3.46Å; Y52-A55 WeakPolarHBondContact O-CB 3.43Å; Y52-A55 PolarHBondContact O-N 3.49Å; Y52-A56 PolarHBondContact O-N 3.32Å; Y52-A248 PolarHBondContact OH-O 3.49Å; Y52-A251 VanDerWaalsContact OH-C 3.25Å; Y52-A251 WeakPolarHBondContact OH-CB 3.34Å; Y52-A252 HydrophobicContact CD1-CB 4.47Å; Y52-A252 HydrophobicContact CD2-CB 3.9Å; Y52-A252 HydrophobicContact CE1-CB 4.21Å; Y52-A252 HydrophobicContact CE2-CB 3.6Å; Y52-A252 HydrophobicContact CG-CB 4.33Å; Y52-A252 VanDerWaalsContact CZ-CA 3.43Å; Y52-A252 PolarHBondContact OH-N 3.37Å; Y52-A252 VanDerWaalsContact OH-N 3.12Å; Y52-V255 HydrophobicContact CD1-CB 4.18Å; Y52-V255 HydrophobicContact CD1-CG1 4.1Å; Y52-V255 HydrophobicContact CE1-CB 3.91Å; Y52-V255 HydrophobicContact CE1-CG1 4.26Å; Y52-V255 HydrophobicContact CE1-CG2 3.86Å
53	F	92.3	Very high	89	Confident	131 Å²	131	59.3 Å²	59.3	58%	0.575	30%	0.298	S	S	*	.	H	α-helix	trans	-59.3	-46.8	175.5	173.4	-98.4	0	0	0	111.2	Y49 F50 A55 A56 F57	Y49-F53 PolarHBondContact O-N 3.08Å; F50-F53 HydrophobicContact CE2-CD1 4.44Å; F50-F53 WeakPolarHBondContact O-CB 3.14Å; F50-F53 PolarHBondContact O-N 2.92Å; F53-A55 VanDerWaalsContact C-N 3.3Å; F53-A55 PolarHBondContact O-N 3.1Å; F53-A56 PolarHBondContact O-N 2.79Å; F53-F57 PolarHBondContact O-N 3.44Å
54	M	89.4	Confident	88.8	Confident	57 Å²	57	65.2 Å²	65.2	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-33.3	176.4	-71.9	-56.3	-64.2	0	0	112.6	F50 M51 Y52 T58 F256	F50-M54 HydrophobicContact CD1-CG 3.92Å; F50-M54 HydrophobicContact CD2-CG 4.44Å; F50-M54 HydrophobicContact CE1-CG 3.48Å; F50-M54 VanDerWaalsContact CE1-CG 3.48Å; F50-M54 HydrophobicContact CE1-SD 4.19Å; F50-M54 HydrophobicContact CE2-CG 4.05Å; F50-M54 HydrophobicContact CE2-SD 4.15Å; F50-M54 HydrophobicContact CG-CG 4.39Å; F50-M54 HydrophobicContact CZ-CG 3.56Å; F50-M54 HydrophobicContact CZ-SD 3.68Å; F50-M54 WeakPolarHBondContact O-CB 3.07Å; F50-M54 VanDerWaalsContact O-CG 3.31Å; F50-M54 WeakPolarHBondContact O-CG 3.42Å; F50-M54 PolarHBondContact O-N 2.85Å; M51-M54 PolarHBondContact O-N 2.92Å; Y52-M54 VanDerWaalsContact C-N 3.34Å; Y52-M54 PolarHBondContact O-N 3.46Å; M54-T58 WeakPolarHBondContact O-CB 3.42Å; M54-T58 PolarHBondContact O-N 3.49Å; M54-T58 PolarHBondContact O-OG1 3.45Å; M54-F256 HydrophobicContact CB-CE2 4.41Å
55	A	89.9	Confident	88.3	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-46.1	173.4	0	0	0	0	0	111.1	M51 Y52 F53 T58 F59 V255 F256 A259	M51-A55 WeakPolarHBondContact O-CB 3.41Å; M51-A55 PolarHBondContact O-N 3.36Å; Y52-A55 WeakPolarHBondContact O-CB 3.43Å; Y52-A55 PolarHBondContact O-N 3.49Å; F53-A55 VanDerWaalsContact C-N 3.3Å; F53-A55 PolarHBondContact O-N 3.1Å; A55-T58 PolarHBondContact O-N 3.33Å; A55-F59 VanDerWaalsContact O-CB 3.25Å; A55-F59 WeakPolarHBondContact O-CB 3.39Å; A55-F59 PolarHBondContact O-N 2.89Å; A55-V255 HydrophobicContact CB-CG1 4.22Å; A55-F256 HydrophobicContact CB-CB 4.04Å; A55-F256 HydrophobicContact CB-CD2 3.88Å; A55-F256 HydrophobicContact CB-CG 4.43Å; A55-A259 HydrophobicContact CB-CB 4.5Å
56	A	90.3	Very high	87.8	Confident	59 Å²	59	70.6 Å²	70.6	49%	0.488	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-46.4	176.7	0	0	0	0	0	111.6	Y52 F53 T58 F59 V60	Y52-A56 PolarHBondContact O-N 3.32Å; F53-A56 PolarHBondContact O-N 2.79Å; A56-T58 VanDerWaalsContact C-N 3.35Å; A56-T58 PolarHBondContact O-N 3.3Å; A56-F59 WeakPolarHBondContact O-CB 3.45Å; A56-F59 PolarHBondContact O-N 2.94Å; A56-V60 WeakPolarHBondContact O-CG2 3.48Å; A56-V60 PolarHBondContact O-N 3.45Å
57	F	89.6	Confident	86.8	Confident	119 Å²	119	70.1 Å²	70.1	52%	0.522	34%	0.343	S	S	.	.	H	α-helix	trans	-62.5	-42.4	178.1	179.6	-96.7	0	0	0	112.2	F53 V60 S61	F53-F57 PolarHBondContact O-N 3.44Å; F57-V60 PolarHBondContact O-N 3.34Å; F57-S61 WeakPolarHBondContact O-CB 3.29Å; F57-S61 PolarHBondContact O-N 3.49Å; F57-S61 PolarHBondContact O-OG 3.25Å
58	T	86.1	Confident	85.8	Confident	28 Å²	28	69.6 Å²	69.6	17%	0.172	34%	0.342	C	S	.	.	H	α-helix	trans	-67.7	-43	178.1	-58.7	0	0	0	0	110.3	M54 A55 A56 V60 S61 L62 V260	M54-T58 WeakPolarHBondContact O-CB 3.42Å; M54-T58 PolarHBondContact O-N 3.49Å; M54-T58 PolarHBondContact O-OG1 3.45Å; A55-T58 PolarHBondContact O-N 3.33Å; A56-T58 VanDerWaalsContact C-N 3.35Å; A56-T58 PolarHBondContact O-N 3.3Å; T58-V60 VanDerWaalsContact C-N 3.34Å; T58-V60 PolarHBondContact O-N 3.43Å; T58-S61 PolarHBondContact O-N 2.87Å; T58-L62 HydrophobicContact CG2-CD1 3.65Å; T58-L62 HydrophobicContact CG2-CG 3.97Å; T58-L62 VanDerWaalsContact O-CB 3.31Å; T58-L62 WeakPolarHBondContact O-CB 3.48Å; T58-L62 WeakPolarHBondContact O-CG 3.25Å; T58-L62 PolarHBondContact O-N 2.97Å; T58-V260 HydrophobicContact CG2-CG2 3.78Å
59	F	87.3	Confident	84.6	Confident	92 Å²	92	71.5 Å²	71.5	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-53.6	-51.7	174.5	-179	-97.1	0	0	0	111.2	A55 A56 L62 L63 A259 N263	A55-F59 VanDerWaalsContact O-CB 3.25Å; A55-F59 WeakPolarHBondContact O-CB 3.39Å; A55-F59 PolarHBondContact O-N 2.89Å; A56-F59 WeakPolarHBondContact O-CB 3.45Å; A56-F59 PolarHBondContact O-N 2.94Å; F59-L62 PolarHBondContact O-N 3.49Å; F59-L63 HydrophobicContact CE1-CD1 4.21Å; F59-L63 HydrophobicContact CZ-CD2 4.44Å; F59-L63 WeakPolarHBondContact O-CG 3.26Å; F59-L63 PolarHBondContact O-N 3.46Å; F59-A259 HydrophobicContact CB-CB 4.13Å; F59-A259 HydrophobicContact CD2-CB 4.26Å; F59-N263 WeakPolarHBondContact CD2-ND2 3.5Å; F59-N263 VanDerWaalsContact CE2-ND2 3.35Å; F59-N263 WeakPolarHBondContact CE2-ND2 3.44Å
60	V	87.5	Confident	83.6	Confident	76 Å²	76	65.5 Å²	65.5	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-45.5	179.2	175.4	0	0	0	0	111.4	A56 F57 T58 L62 L63 F64	A56-V60 WeakPolarHBondContact O-CG2 3.48Å; A56-V60 PolarHBondContact O-N 3.45Å; F57-V60 PolarHBondContact O-N 3.34Å; T58-V60 VanDerWaalsContact C-N 3.34Å; T58-V60 PolarHBondContact O-N 3.43Å; V60-L62 VanDerWaalsContact C-N 3.27Å; V60-L62 PolarHBondContact O-N 2.93Å; V60-L63 WeakPolarHBondContact O-CB 3.31Å; V60-L63 PolarHBondContact O-N 2.72Å; V60-L63 VanDerWaalsContact O-N 3.16Å; V60-F64 HydrophobicContact CG1-CE2 4.02Å; V60-F64 WeakPolarHBondContact O-CD2 3.35Å
61	S	85.4	Confident	82.6	Confident	45 Å²	45	62.4 Å²	62.4	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-60.6	-38.3	178.8	-61.4	0	0	0	0	112.1	F57 T58 L63 F64 Q65	F57-S61 WeakPolarHBondContact O-CB 3.29Å; F57-S61 PolarHBondContact O-N 3.49Å; F57-S61 PolarHBondContact O-OG 3.25Å; T58-S61 PolarHBondContact O-N 2.87Å; S61-L63 VanDerWaalsContact C-N 3.27Å; S61-L63 PolarHBondContact O-N 2.95Å; S61-F64 PolarHBondContact O-N 3.48Å; S61-Q65 PolarHBondContact O-N 3.23Å
62	L	84.8	Confident	81.7	Confident	20 Å²	20	64.5 Å²	64.5	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-72.5	-16.8	179.9	-68.2	177.9	0	0	0	113.9	T58 F59 V60 F64 Q65 V67 V260 N263	T58-L62 HydrophobicContact CG2-CD1 3.65Å; T58-L62 HydrophobicContact CG2-CG 3.97Å; T58-L62 VanDerWaalsContact O-CB 3.31Å; T58-L62 WeakPolarHBondContact O-CB 3.48Å; T58-L62 WeakPolarHBondContact O-CG 3.25Å; T58-L62 PolarHBondContact O-N 2.97Å; F59-L62 PolarHBondContact O-N 3.49Å; V60-L62 VanDerWaalsContact C-N 3.27Å; V60-L62 PolarHBondContact O-N 2.93Å; L62-F64 VanDerWaalsContact C-N 3.26Å; L62-Q65 WeakPolarHBondContact CA-O 3.24Å; L62-Q65 WeakPolarHBondContact CD2-O 3.36Å; L62-V67 HydrophobicContact CD1-CG2 4.46Å; L62-V67 HydrophobicContact CD2-CG2 3.42Å; L62-V67 VanDerWaalsContact CD2-CG2 3.42Å; L62-V260 HydrophobicContact CD1-CB 4.39Å; L62-V260 HydrophobicContact CD1-CG1 4.28Å; L62-V260 HydrophobicContact CD1-CG2 4.38Å; L62-N263 HydrophobicContact CB-CB 3.85Å; L62-N263 HydrophobicContact CD1-CB 4.1Å
63	L	80.8	Confident	80.5	Confident	103 Å²	103	62.3 Å²	62.3	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-66.9	-31.5	169.9	-62.5	176.1	0	0	0	111.8	F59 V60 S61	F59-L63 HydrophobicContact CE1-CD1 4.21Å; F59-L63 HydrophobicContact CZ-CD2 4.44Å; F59-L63 WeakPolarHBondContact O-CG 3.26Å; F59-L63 PolarHBondContact O-N 3.46Å; V60-L63 WeakPolarHBondContact O-CB 3.31Å; V60-L63 PolarHBondContact O-N 2.72Å; V60-L63 VanDerWaalsContact O-N 3.16Å; S61-L63 VanDerWaalsContact C-N 3.27Å; S61-L63 PolarHBondContact O-N 2.95Å
64	F	81.9	Confident	79.4	Confident	176 Å²	176	58.6 Å²	58.6	77%	0.772	31%	0.312	S	S	*	.	H	α-helix	trans	-97.8	-32.7	-177.5	-58.5	-75.1	0	0	0	112.7	V60 S61 L62	V60-F64 HydrophobicContact CG1-CE2 4.02Å; V60-F64 WeakPolarHBondContact O-CD2 3.35Å; S61-F64 PolarHBondContact O-N 3.48Å; L62-F64 VanDerWaalsContact C-N 3.26Å
65	Q	78.7	Confident	78.3	Confident	95 Å²	95	61.3 Å²	61.3	44%	0.444	34%	0.337	S	S	.	.	S	Bend	trans	-140.2	128	-175.4	-161.1	-173.4	-74	0	0	112.6	S61 L62 Y77	S61-Q65 PolarHBondContact O-N 3.23Å; L62-Q65 WeakPolarHBondContact CA-O 3.24Å; L62-Q65 WeakPolarHBondContact CD2-O 3.36Å; Q65-Y77 VanDerWaalsContact CD-OH 3.25Å; Q65-Y77 VanDerWaalsContact NE2-CZ 3.32Å; Q65-Y77 PolarHBondContact NE2-OH 2.91Å; Q65-Y77 PolarHBondContact OE1-OH 3.19Å
66	N	78.8	Confident	77.4	Confident	69 Å²	69	69 Å²	69	37%	0.369	37%	0.37	S	S	.	.			trans	-69.6	147.2	173.7	-63.8	-55.5	0	0	0	111.5	Y72 A267	N66-Y72 HydrophobicContact CB-CD1 4.34Å; N66-Y72 HydrophobicContact CB-CD2 3.79Å; N66-Y72 HydrophobicContact CB-CE2 4.19Å; N66-Y72 HydrophobicContact CB-CG 3.87Å; N66-A267 WeakPolarHBondContact OD1-CB 3.35Å
67	V	70.2	Confident	76.4	Confident	41 Å²	41	69.4 Å²	69.4	25%	0.248	36%	0.359	C	S	.	.			trans	-59.9	126.2	174.1	-162.4	0	0	0	0	109.1	L62 Y69	L62-V67 HydrophobicContact CD1-CG2 4.46Å; L62-V67 HydrophobicContact CD2-CG2 3.42Å; L62-V67 VanDerWaalsContact CD2-CG2 3.42Å; V67-Y69 HydrophobicContact CB-CD1 3.7Å; V67-Y69 HydrophobicContact CB-CE1 3.6Å; V67-Y69 HydrophobicContact CG1-CD1 3.45Å; V67-Y69 VanDerWaalsContact CG1-CD1 3.45Å; V67-Y69 HydrophobicContact CG1-CE1 3.5Å; V67-Y69 VanDerWaalsContact CG1-CE1 3.5Å; V67-Y69 HydrophobicContact CG2-CE1 4.28Å; V67-Y69 PolarHBondContact O-N 3.05Å
68	P	69.5	Low	75.6	Confident	15 Å²	15	65.7 Å²	65.7	10%	0.097	35%	0.354	C	S	.	.	S	Bend	trans	-80.1	59.9	-167.9	32.2	-36.6	0	0	0	113	Y72 Y77 P145	P68-Y72 WeakPolarHBondContact CA-O 3.4Å; P68-Y77 HydrophobicContact CB-CD2 3.43Å; P68-Y77 VanDerWaalsContact CB-CD2 3.43Å; P68-Y77 HydrophobicContact CB-CE2 3.85Å; P68-Y77 HydrophobicContact CB-CG 4.14Å; P68-Y77 HydrophobicContact CG-CD1 4.37Å; P68-Y77 HydrophobicContact CG-CD2 3.52Å; P68-Y77 HydrophobicContact CG-CE2 3.97Å; P68-Y77 HydrophobicContact CG-CG 3.75Å; P68-P145 WeakPolarHBondContact O-CD 3.24Å; P68-P145 WeakPolarHBondContact O-CG 3.5Å
69	Y	65.7	Low	75.3	Confident	39 Å²	39	70 Å²	70	15%	0.153	37%	0.371	C	S	.	.	S	Bend	trans	-139.7	160.4	173.1	75.2	-78.2	0	0	0	113.3	V67 R71 Y72 W87 R264	V67-Y69 HydrophobicContact CB-CD1 3.7Å; V67-Y69 HydrophobicContact CB-CE1 3.6Å; V67-Y69 HydrophobicContact CG1-CD1 3.45Å; V67-Y69 VanDerWaalsContact CG1-CD1 3.45Å; V67-Y69 HydrophobicContact CG1-CE1 3.5Å; V67-Y69 VanDerWaalsContact CG1-CE1 3.5Å; V67-Y69 HydrophobicContact CG2-CE1 4.28Å; V67-Y69 PolarHBondContact O-N 3.05Å; Y69-R71 PolarHBondContact O-N 3.46Å; Y69-R71 VanDerWaalsContact O-N 3.17Å; Y69-Y72 PolarHBondContact O-N 2.95Å; Y69-W87 HydrophobicContact CE2-CZ2 4.02Å; Y69-R264 VanDerWaalsContact CZ-NH1 3.3Å; Y69-R264 PolarHBondContact OH-NE 3.33Å; Y69-R264 PolarHBondContact OH-NH1 3.47Å
70	G	71.2	Confident	75	Confident	21 Å²	21	70.5 Å²	70.5	22%	0.216	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	62.7	-114	-177.7	0	0	0	0	0	112.1	Y72 A73	G70-Y72 PolarHBondContact O-N 3.28Å; G70-A73 WeakPolarHBondContact O-CB 3.47Å; G70-A73 PolarHBondContact O-N 2.99Å
71	R	70.4	Confident	74.5	Confident	46 Å²	46	67.6 Å²	67.6	17%	0.174	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-67.8	-25.1	-178.8	-46.8	-160.3	-178.4	174.7	-4	112.8	Y69 Y215 Y272	Y69-R71 PolarHBondContact O-N 3.46Å; Y69-R71 VanDerWaalsContact O-N 3.17Å; R71-Y215 VanDerWaalsContact CD-CE1 3.49Å; R71-Y215 HydrophobicContact CG-CE1 3.59Å; R71-Y215 WeakPolarHBondContact CG-OH 3.31Å; R71-Y215 VanDerWaalsContact CZ-CD1 3.41Å; R71-Y215 VanDerWaalsContact NE-CD1 3.28Å; R71-Y272 PolarHBondContact NH1-OH 2.79Å; R71-Y272 PolarHBondContact NH2-OH 3.16Å
72	Y	74.4	Confident	74.3	Confident	47 Å²	47	70 Å²	70	18%	0.184	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-105.2	12.7	-177.7	-47.5	-58.6	0	0	0	112.9	N66 P68 Y69 G70 S74 A267 H268	N66-Y72 HydrophobicContact CB-CD1 4.34Å; N66-Y72 HydrophobicContact CB-CD2 3.79Å; N66-Y72 HydrophobicContact CB-CE2 4.19Å; N66-Y72 HydrophobicContact CB-CG 3.87Å; P68-Y72 WeakPolarHBondContact CA-O 3.4Å; Y69-Y72 PolarHBondContact O-N 2.95Å; G70-Y72 PolarHBondContact O-N 3.28Å; Y72-S74 PolarHBondContact O-N 3.13Å; Y72-A267 HydrophobicContact CE2-CB 4.18Å; Y72-A267 WeakPolarHBondContact OH-CB 3.26Å; Y72-A267 PolarHBondContact OH-O 2.88Å; Y72-H268 AromaticContact CE2-CE1 3.56Å; Y72-H268 AromaticContact CE2-ND1 3.62Å; Y72-H268 AromaticContact CZ-ND1 3.72Å; Y72-H268 PolarHBondContact OH-N 3.28Å; Y72-H268 PolarHBondContact OH-ND1 2.87Å; Y72-H268 VanDerWaalsContact OH-ND1 3.15Å
73	A	66.6	Low	73.9	Confident	26 Å²	26	69.9 Å²	69.9	22%	0.215	38%	0.375	C	S	.	.			trans	-59.1	130.7	178.9	0	0	0	0	0	111.1	G70 K142	G70-A73 WeakPolarHBondContact O-CB 3.47Å; G70-A73 PolarHBondContact O-N 2.99Å; A73-K142 HydrophobicContact CB-CB 4.05Å; A73-K142 HydrophobicContact CB-CD 4.29Å
74	S	68.3	Low	73.8	Confident	53 Å²	53	70 Å²	70	37%	0.371	37%	0.371	S	S	.	.			trans	-135.6	142.4	178	176.1	0	0	0	0	109.7	Y72 K76 P145	Y72-S74 PolarHBondContact O-N 3.13Å; S74-K76 PolarHBondContact O-N 3.33Å; S74-K76 PolarHBondContact OG-N 3.25Å; S74-P145 WeakPolarHBondContact O-CG 3.45Å
75	S	67.9	Low	73.7	Confident	115 Å²	115	67.1 Å²	67.1	80%	0.804	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.3	-10.2	176.1	51.3	0	0	0	0	113.7	Y77	S75-Y77 PolarHBondContact O-N 3.02Å
76	K	70.7	Confident	73.7	Confident	165 Å²	165	62.6 Å²	62.6	72%	0.717	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61	-23.8	178.8	-170.8	176.3	179.6	-176.7	0	113.4	S74	S74-K76 PolarHBondContact O-N 3.33Å; S74-K76 PolarHBondContact OG-N 3.25Å
77	Y	67.6	Low	73.5	Confident	67 Å²	67	60.8 Å²	60.8	26%	0.263	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-106.3	26.1	-171.4	-64.5	-76.5	0	0	0	114	Q65 P68 S75 P145 A147	Q65-Y77 VanDerWaalsContact CD-OH 3.25Å; Q65-Y77 VanDerWaalsContact NE2-CZ 3.32Å; Q65-Y77 PolarHBondContact NE2-OH 2.91Å; Q65-Y77 PolarHBondContact OE1-OH 3.19Å; P68-Y77 HydrophobicContact CB-CD2 3.43Å; P68-Y77 VanDerWaalsContact CB-CD2 3.43Å; P68-Y77 HydrophobicContact CB-CE2 3.85Å; P68-Y77 HydrophobicContact CB-CG 4.14Å; P68-Y77 HydrophobicContact CG-CD1 4.37Å; P68-Y77 HydrophobicContact CG-CD2 3.52Å; P68-Y77 HydrophobicContact CG-CE2 3.97Å; P68-Y77 HydrophobicContact CG-CG 3.75Å; S75-Y77 PolarHBondContact O-N 3.02Å; Y77-P145 WeakPolarHBondContact O-CB 3.25Å; Y77-A147 WeakPolarHBondContact O-CB 3.02Å; Y77-A147 PolarHBondContact O-N 3.44Å
78	G	74.8	Confident	74	Confident	40 Å²	40	61.5 Å²	61.5	41%	0.412	33%	0.325	S	S	.	.	S	Bend	trans	111.8	-172.5	173.1	0	0	0	0	0	114.1
79	F	79.9	Confident	74.6	Confident	120 Å²	120	62.9 Å²	62.9	53%	0.526	33%	0.331	S	S	.	.	S	Bend	trans	-70.1	147	-177.7	62.2	-91.3	0	0	0	111.8	V81 F146	F79-V81 HydrophobicContact CD2-CG2 3.99Å; F79-V81 HydrophobicContact CE2-CG2 3.7Å; F79-V81 PolarHBondContact O-N 3.49Å; F79-F146 HydrophobicContact CD1-CB 3.8Å; F79-F146 HydrophobicContact CD1-CD1 4.49Å; F79-F146 HydrophobicContact CD1-CG 4.07Å; F79-F146 HydrophobicContact CD2-CB 4.19Å; F79-F146 HydrophobicContact CE1-CB 3.59Å; F79-F146 AromaticContact CE1-CD1 3.7Å; F79-F146 HydrophobicContact CE1-CD1 3.7Å; F79-F146 AromaticContact CE1-CD2 3.63Å; F79-F146 HydrophobicContact CE1-CD2 3.63Å; F79-F146 HydrophobicContact CE1-CE1 4.27Å; F79-F146 HydrophobicContact CE1-CE2 4.2Å; F79-F146 AromaticContact CE1-CG 3.33Å; F79-F146 HydrophobicContact CE1-CG 3.33Å; F79-F146 HydrophobicContact CE1-CZ 4.49Å; F79-F146 HydrophobicContact CE2-CB 4.01Å; F79-F146 AromaticContact CE2-CD2 3.71Å; F79-F146 HydrophobicContact CE2-CD2 3.71Å; F79-F146 HydrophobicContact CE2-CE2 4.48Å; F79-F146 HydrophobicContact CE2-CG 4.05Å; F79-F146 HydrophobicContact CG-CB 4.1Å; F79-F146 HydrophobicContact CZ-CB 3.72Å; F79-F146 HydrophobicContact CZ-CD1 4.06Å; F79-F146 AromaticContact CZ-CD2 3.09Å; F79-F146 HydrophobicContact CZ-CD2 3.09Å; F79-F146 HydrophobicContact CZ-CE1 4.49Å; F79-F146 AromaticContact CZ-CE2 3.62Å; F79-F146 HydrophobicContact CZ-CE2 3.62Å; F79-F146 AromaticContact CZ-CG 3.34Å; F79-F146 HydrophobicContact CZ-CG 3.34Å; F79-F146 HydrophobicContact CZ-CZ 4.29Å; F79-F146 PolarHBondContact O-N 3.45Å
80	P	80.2	Confident	75.3	Confident	101 Å²	101	61.6 Å²	61.6	66%	0.656	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	125	178.1	27.5	-32.5	0	0	0	110.7	A143	P80-A143 HydrophobicContact CB-CB 3.39Å
81	V	77.3	Confident	75.8	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.097	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.4	170.8	-173.8	0	0	0	0	109	F79 V83 F85 A86 A143 T144 F146	F79-V81 HydrophobicContact CD2-CG2 3.99Å; F79-V81 HydrophobicContact CE2-CG2 3.7Å; F79-V81 PolarHBondContact O-N 3.49Å; V81-V83 PolarHBondContact O-N 3.37Å; V81-F85 HydrophobicContact CG1-CD1 3.95Å; V81-A86 HydrophobicContact CB-CB 4.4Å; V81-A86 HydrophobicContact CG1-CB 3.98Å; V81-A143 WeakPolarHBondContact O-CA 3.25Å; V81-A143 WeakPolarHBondContact O-CB 3.44Å; V81-T144 PolarHBondContact N-O 2.82Å; V81-T144 PolarHBondContact O-N 3.05Å; V81-F146 HydrophobicContact CG2-CB 4.19Å; V81-F146 HydrophobicContact CG2-CD2 4.15Å
82	D	81.2	Confident	76.3	Confident	95 Å²	95	61 Å²	61	51%	0.508	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-54.1	134.5	173.2	176.8	-97.8	0	0	0	110.6	K84 F85 A86	D82-K84 VanDerWaalsContact C-N 3.35Å; D82-K84 PolarHBondContact O-N 3.34Å; D82-K84 WeakPolarHBondContact OD1-CA 3.39Å; D82-K84 WeakPolarHBondContact OD1-CB 3.41Å; D82-K84 PolarHBondContact OD1-N 3.16Å; D82-F85 HydrophobicContact CB-CB 4.14Å; D82-F85 PolarHBondContact O-N 3.25Å; D82-F85 PolarHBondContact OD1-N 3.32Å; D82-A86 VanDerWaalsContact O-CB 3.27Å; D82-A86 WeakPolarHBondContact O-CB 3.36Å; D82-A86 PolarHBondContact O-N 3.39Å
83	V	76.6	Confident	76.7	Confident	18 Å²	18	59.2 Å²	59.2	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-35.9	-172.3	66.9	0	0	0	0	112.1	V81 W87 I138	V81-V83 PolarHBondContact O-N 3.37Å; V83-W87 WeakPolarHBondContact O-CB 3.19Å; V83-W87 PolarHBondContact O-N 3.3Å; V83-W87 VanDerWaalsContact O-N 3.1Å; V83-I138 HydrophobicContact CG1-CG2 4.31Å
84	K	78	Confident	77.4	Confident	105 Å²	105	58 Å²	58	46%	0.457	31%	0.305	S	S	.	.	H	α-helix	trans	-72.1	-43.9	-179.7	-61.5	-177	179.8	-178.1	0	110.1	D82 F88 I138	D82-K84 VanDerWaalsContact C-N 3.35Å; D82-K84 PolarHBondContact O-N 3.34Å; D82-K84 WeakPolarHBondContact OD1-CA 3.39Å; D82-K84 WeakPolarHBondContact OD1-CB 3.41Å; D82-K84 PolarHBondContact OD1-N 3.16Å; K84-F88 VanDerWaalsContact O-CB 3.31Å; K84-F88 WeakPolarHBondContact O-CB 3.41Å; K84-F88 PolarHBondContact O-N 3.18Å; K84-I138 WeakPolarHBondContact CE-O 3.16Å
85	F	79.4	Confident	78	Confident	116 Å²	116	56 Å²	56	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-46.7	176.2	-174.8	-96	0	0	0	111.9	V81 D82 W87 F88 I89	V81-F85 HydrophobicContact CG1-CD1 3.95Å; D82-F85 HydrophobicContact CB-CB 4.14Å; D82-F85 PolarHBondContact O-N 3.25Å; D82-F85 PolarHBondContact OD1-N 3.32Å; F85-W87 PolarHBondContact O-N 3.39Å; F85-F88 PolarHBondContact O-N 3.39Å; F85-I89 HydrophobicContact CD1-CG1 4.29Å; F85-I89 HydrophobicContact CD2-CG1 4.19Å; F85-I89 HydrophobicContact CE1-CG1 3.92Å; F85-I89 HydrophobicContact CE2-CD1 4.28Å; F85-I89 HydrophobicContact CE2-CG1 3.8Å; F85-I89 HydrophobicContact CG-CG1 4.42Å; F85-I89 HydrophobicContact CZ-CD1 4.33Å; F85-I89 HydrophobicContact CZ-CG1 3.67Å; F85-I89 WeakPolarHBondContact O-CG1 3.48Å; F85-I89 PolarHBondContact O-N 3.32Å
86	A	79.3	Confident	78.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-50	179.4	0	0	0	0	0	111.7	V81 D82 F88 Q90 F149	V81-A86 HydrophobicContact CB-CB 4.4Å; V81-A86 HydrophobicContact CG1-CB 3.98Å; D82-A86 VanDerWaalsContact O-CB 3.27Å; D82-A86 WeakPolarHBondContact O-CB 3.36Å; D82-A86 PolarHBondContact O-N 3.39Å; A86-F88 PolarHBondContact O-N 2.89Å; A86-Q90 WeakPolarHBondContact O-CB 3.05Å; A86-Q90 WeakPolarHBondContact O-CG 3.31Å; A86-Q90 PolarHBondContact O-N 2.99Å; A86-F149 HydrophobicContact CB-CD2 3.79Å; A86-F149 HydrophobicContact CB-CE2 4.43Å; A86-F149 HydrophobicContact CB-CG 4.41Å; A86-F149 WeakPolarHBondContact O-CD2 3.07Å; A86-F149 WeakPolarHBondContact O-CE2 3.3Å
87	W	75.3	Confident	79	Confident	30 Å²	30	49.5 Å²	49.5	11%	0.114	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-35.5	179.4	-84.9	86.7	0	0	0	113.2	Y69 V83 F85 E91 Y134 P135 I138	Y69-W87 HydrophobicContact CE2-CZ2 4.02Å; V83-W87 WeakPolarHBondContact O-CB 3.19Å; V83-W87 PolarHBondContact O-N 3.3Å; V83-W87 VanDerWaalsContact O-N 3.1Å; F85-W87 PolarHBondContact O-N 3.39Å; W87-E91 HydrophobicContact CE3-CG 4.3Å; W87-E91 VanDerWaalsContact O-CG 3.3Å; W87-E91 WeakPolarHBondContact O-CG 3.4Å; W87-Y134 HydrophobicContact CD2-CE1 4.35Å; W87-Y134 HydrophobicContact CE3-CD1 4.34Å; W87-Y134 HydrophobicContact CE3-CE1 4.21Å; W87-Y134 HydrophobicContact CZ3-CE1 4.36Å; W87-P135 HydrophobicContact CB-CB 4.18Å; W87-P135 HydrophobicContact CB-CG 4.21Å; W87-I138 HydrophobicContact CB-CD1 4.12Å; W87-I138 HydrophobicContact CD2-CD1 4.41Å; W87-I138 HydrophobicContact CG-CD1 3.89Å
88	F	80	Confident	79.6	Confident	57 Å²	57	46.3 Å²	46.3	25%	0.25	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-52.2	176.5	-179.4	-107.4	0	0	0	111.5	K84 F85 A86 L92 T131 L132 P135 F136	K84-F88 VanDerWaalsContact O-CB 3.31Å; K84-F88 WeakPolarHBondContact O-CB 3.41Å; K84-F88 PolarHBondContact O-N 3.18Å; F85-F88 PolarHBondContact O-N 3.39Å; A86-F88 PolarHBondContact O-N 2.89Å; F88-L92 HydrophobicContact CE1-CD2 4.48Å; F88-L92 HydrophobicContact CZ-CD1 4.48Å; F88-L92 WeakPolarHBondContact O-CB 3.35Å; F88-L92 PolarHBondContact O-N 3.08Å; F88-T131 VanDerWaalsContact CD2-O 3.22Å; F88-T131 WeakPolarHBondContact CD2-O 3.42Å; F88-T131 WeakPolarHBondContact CE2-O 3.44Å; F88-L132 HydrophobicContact CE2-CD2 4.35Å; F88-P135 HydrophobicContact CB-CB 4.21Å; F88-F136 AromaticContact CD2-CE2 3.71Å; F88-F136 HydrophobicContact CD2-CE2 3.71Å; F88-F136 HydrophobicContact CD2-CZ 4.03Å; F88-F136 AromaticContact CE2-CE2 3.77Å; F88-F136 HydrophobicContact CE2-CE2 3.77Å; F88-F136 AromaticContact CE2-CZ 3.94Å; F88-F136 HydrophobicContact CE2-CZ 3.94Å
89	I	81.9	Confident	79.9	Confident	44 Å²	44	47 Å²	47	23%	0.226	24%	0.235	C	C	.	.	H	α-helix	trans	-73.8	-36.1	-174.2	-62	-64.8	0	0	0	112	F85 E91 L92 P93 F149 F153	F85-I89 HydrophobicContact CD1-CG1 4.29Å; F85-I89 HydrophobicContact CD2-CG1 4.19Å; F85-I89 HydrophobicContact CE1-CG1 3.92Å; F85-I89 HydrophobicContact CE2-CD1 4.28Å; F85-I89 HydrophobicContact CE2-CG1 3.8Å; F85-I89 HydrophobicContact CG-CG1 4.42Å; F85-I89 HydrophobicContact CZ-CD1 4.33Å; F85-I89 HydrophobicContact CZ-CG1 3.67Å; F85-I89 WeakPolarHBondContact O-CG1 3.48Å; F85-I89 PolarHBondContact O-N 3.32Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 3.43Å; I89-L92 PolarHBondContact O-N 3.39Å; I89-P93 VanDerWaalsContact O-CD 3.31Å; I89-P93 WeakPolarHBondContact O-CD 3.42Å; I89-F149 HydrophobicContact CB-CE2 3.86Å; I89-F149 HydrophobicContact CB-CZ 3.93Å; I89-F149 HydrophobicContact CG2-CE2 3.99Å; I89-F149 HydrophobicContact CG2-CZ 3.62Å; I89-F153 HydrophobicContact CG2-CD2 4.19Å; I89-F153 HydrophobicContact CG2-CE2 4.26Å; I89-F153 WeakPolarHBondContact O-CD2 3.45Å
90	Q	80.4	Confident	79.8	Confident	12 Å²	12	42.7 Å²	42.7	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-66.5	-35.2	-177	77.9	-172.3	19.9	0	0	112.4	A86 P93 F149 A152 C156	A86-Q90 WeakPolarHBondContact O-CB 3.05Å; A86-Q90 WeakPolarHBondContact O-CG 3.31Å; A86-Q90 PolarHBondContact O-N 2.99Å; Q90-P93 WeakPolarHBondContact O-CD 3.25Å; Q90-F149 HydrophobicContact CB-CD2 3.85Å; Q90-F149 HydrophobicContact CB-CE2 3.9Å; Q90-A152 HydrophobicContact CB-CB 4.01Å; Q90-A152 HydrophobicContact CG-CB 4.24Å; Q90-C156 WeakPolarHBondContact O-CB 3.39Å; Q90-C156 PolarHBondContact O-SG 3.45Å
91	E	80.8	Confident	79.5	Confident	14 Å²	14	38.2 Å²	38.2	7%	0.065	19%	0.191	C	C	.	.	H	α-helix	trans	-91.1	-15.5	-176.3	-56.2	-66.9	152.1	0	0	112.4	W87 I89 P93 S94 R130	W87-E91 HydrophobicContact CE3-CG 4.3Å; W87-E91 VanDerWaalsContact O-CG 3.3Å; W87-E91 WeakPolarHBondContact O-CG 3.4Å; I89-E91 VanDerWaalsContact C-N 3.33Å; I89-E91 PolarHBondContact O-N 3.43Å; E91-P93 VanDerWaalsContact C-CD 3.46Å; E91-S94 PolarHBondContact O-N 3.23Å; E91-R130 HydrophobicContact CB-CB 4.38Å; E91-R130 HydrophobicContact CG-CB 4.15Å
92	L	81.7	Confident	79.4	Confident	39 Å²	39	39.1 Å²	39.1	20%	0.204	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-41	-178	-173.6	65.8	0	0	0	114	F88 I89 S94 L95 L96 T131	F88-L92 HydrophobicContact CE1-CD2 4.48Å; F88-L92 HydrophobicContact CZ-CD1 4.48Å; F88-L92 WeakPolarHBondContact O-CB 3.35Å; F88-L92 PolarHBondContact O-N 3.08Å; I89-L92 PolarHBondContact O-N 3.39Å; L92-S94 VanDerWaalsContact C-N 3.29Å; L92-S94 PolarHBondContact O-N 3.46Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-L96 HydrophobicContact CD1-CD1 3.76Å; L92-L96 HydrophobicContact CD1-CD2 4.33Å; L92-L96 HydrophobicContact CD1-CG 3.73Å; L92-L96 HydrophobicContact CD2-CD1 3.79Å; L92-L96 HydrophobicContact CG-CD1 3.53Å; L92-L96 HydrophobicContact CG-CG 3.86Å; L92-L96 PolarHBondContact O-N 3.17Å; L92-T131 HydrophobicContact CB-CG2 4.14Å; L92-T131 HydrophobicContact CD1-CG2 3.78Å
93	P	82.8	Confident	79	Confident	11 Å²	11	41.6 Å²	41.6	7%	0.071	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-35	178.6	-24.6	34.8	0	0	0	113.8	I89 Q90 E91 L95 L97 P98 F153 C156 V157	I89-P93 VanDerWaalsContact O-CD 3.31Å; I89-P93 WeakPolarHBondContact O-CD 3.42Å; Q90-P93 WeakPolarHBondContact O-CD 3.25Å; E91-P93 VanDerWaalsContact C-CD 3.46Å; P93-L95 PolarHBondContact O-N 2.9Å; P93-L97 HydrophobicContact CB-CD1 3.94Å; P93-L97 VanDerWaalsContact O-CB 3.26Å; P93-L97 WeakPolarHBondContact O-CB 3.42Å; P93-L97 PolarHBondContact O-N 3.48Å; P93-P98 WeakPolarHBondContact O-CD 3.49Å; P93-F153 HydrophobicContact CG-CD2 3.63Å; P93-F153 HydrophobicContact CG-CE2 3.27Å; P93-F153 HydrophobicContact CG-CG 4.39Å; P93-F153 HydrophobicContact CG-CZ 3.77Å; P93-C156 HydrophobicContact CB-CB 4.44Å; P93-V157 HydrophobicContact CB-CB 4.29Å; P93-V157 HydrophobicContact CB-CG2 3.43Å; P93-V157 VanDerWaalsContact CB-CG2 3.43Å; P93-V157 HydrophobicContact CG-CG2 3.74Å
94	S	81.9	Confident	78.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-7	177.2	-64.1	0	0	0	0	113.6	E91 L92 P98 F122 Y126 C156	E91-S94 PolarHBondContact O-N 3.23Å; L92-S94 VanDerWaalsContact C-N 3.29Å; L92-S94 PolarHBondContact O-N 3.46Å; S94-P98 VanDerWaalsContact O-CG 3.27Å; S94-P98 WeakPolarHBondContact O-CG 3.24Å; S94-F122 WeakPolarHBondContact O-CE1 3.48Å; S94-Y126 VanDerWaalsContact CB-CZ 3.48Å; S94-C156 VanDerWaalsContact OG-C 3.31Å; S94-C156 WeakPolarHBondContact OG-CA 3.05Å; S94-C156 WeakPolarHBondContact OG-CB 3.47Å; S94-C156 PolarHBondContact OG-O 2.88Å
95	L	81.1	Confident	77.8	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.058	19%	0.191	C	C	.	.	H	α-helix	trans	-103.6	-50.9	169.5	-178.7	61.5	0	0	0	111.4	L92 P93 L99 L123 V127 T131	L92-L95 PolarHBondContact O-N 2.93Å; P93-L95 PolarHBondContact O-N 2.9Å; L95-L99 HydrophobicContact CD1-CD1 4Å; L95-L99 HydrophobicContact CD1-CG 4.47Å; L95-L99 HydrophobicContact CG-CD1 3.99Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.37Å; L95-L99 PolarHBondContact O-N 2.9Å; L95-L123 HydrophobicContact CD1-CD2 3.96Å; L95-V127 HydrophobicContact CD1-CG2 3.55Å; L95-V127 HydrophobicContact CD2-CG2 4.29Å; L95-T131 HydrophobicContact CB-CG2 4.48Å; L95-T131 HydrophobicContact CD2-CG2 4.24Å
96	L	79.9	Confident	76.8	Confident	85 Å²	85	37.5 Å²	37.5	45%	0.445	19%	0.192	S	C	.	.	H	α-helix	trans	-68.6	-43.3	-174.3	-67.2	-175.1	0	0	0	112.7	L92 L99 C100	L92-L96 HydrophobicContact CD1-CD1 3.76Å; L92-L96 HydrophobicContact CD1-CD2 4.33Å; L92-L96 HydrophobicContact CD1-CG 3.73Å; L92-L96 HydrophobicContact CD2-CD1 3.79Å; L92-L96 HydrophobicContact CG-CD1 3.53Å; L92-L96 HydrophobicContact CG-CG 3.86Å; L92-L96 PolarHBondContact O-N 3.17Å; L96-L99 PolarHBondContact O-N 3.46Å; L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 3.17Å; L96-C100 PolarHBondContact O-SG 3.28Å
97	L	79	Confident	76	Confident	59 Å²	59	38.9 Å²	38.9	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-46.8	-178.8	-70.1	164.9	0	0	0	111.7	P93 L99 C100 L101 V157	P93-L97 HydrophobicContact CB-CD1 3.94Å; P93-L97 VanDerWaalsContact O-CB 3.26Å; P93-L97 WeakPolarHBondContact O-CB 3.42Å; P93-L97 PolarHBondContact O-N 3.48Å; L97-L99 VanDerWaalsContact C-N 3.35Å; L97-L99 PolarHBondContact O-N 3.26Å; L97-C100 PolarHBondContact O-N 3.29Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.26Å; L97-L101 PolarHBondContact O-N 3.37Å; L97-V157 HydrophobicContact CD1-CB 4.06Å; L97-V157 HydrophobicContact CD1-CG1 3.77Å; L97-V157 HydrophobicContact CD1-CG2 4.1Å
98	P	80.3	Confident	75.4	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-54.5	-45	171	-38.1	45.7	0	0	0	114.9	P93 S94 C100 L101 V102 F122 L123 V164	P93-P98 WeakPolarHBondContact O-CD 3.49Å; S94-P98 VanDerWaalsContact O-CG 3.27Å; S94-P98 WeakPolarHBondContact O-CG 3.24Å; P98-C100 VanDerWaalsContact C-N 3.32Å; P98-C100 PolarHBondContact O-N 2.76Å; P98-L101 PolarHBondContact O-N 2.92Å; P98-V102 WeakPolarHBondContact O-CB 3.38Å; P98-V102 VanDerWaalsContact O-CG2 3.25Å; P98-V102 WeakPolarHBondContact O-CG2 3.26Å; P98-V102 PolarHBondContact O-N 2.97Å; P98-F122 HydrophobicContact CG-CD1 4.39Å; P98-F122 HydrophobicContact CG-CE1 3.94Å; P98-L123 HydrophobicContact CB-CD2 3.77Å; P98-V164 HydrophobicContact CB-CB 4.09Å; P98-V164 HydrophobicContact CB-CG1 4.11Å; P98-V164 HydrophobicContact CB-CG2 3.57Å; P98-V164 HydrophobicContact CG-CB 4.2Å; P98-V164 HydrophobicContact CG-CG2 3.61Å
99	L	80.3	Confident	74.9	Confident	53 Å²	53	40.9 Å²	40.9	28%	0.277	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-43.2	177	-69.6	170.2	0	0	0	110.6	L95 L96 L97 L101 V102 F103 L123	L95-L99 HydrophobicContact CD1-CD1 4Å; L95-L99 HydrophobicContact CD1-CG 4.47Å; L95-L99 HydrophobicContact CG-CD1 3.99Å; L95-L99 VanDerWaalsContact O-CG 3.25Å; L95-L99 WeakPolarHBondContact O-CG 3.37Å; L95-L99 PolarHBondContact O-N 2.9Å; L96-L99 PolarHBondContact O-N 3.46Å; L97-L99 VanDerWaalsContact C-N 3.35Å; L97-L99 PolarHBondContact O-N 3.26Å; L99-L101 VanDerWaalsContact C-N 3.35Å; L99-L101 PolarHBondContact O-N 3.45Å; L99-V102 PolarHBondContact O-N 2.81Å; L99-F103 HydrophobicContact CB-CD2 4.5Å; L99-F103 HydrophobicContact CD2-CE2 4.03Å; L99-F103 WeakPolarHBondContact O-CD2 3.38Å; L99-F103 PolarHBondContact O-N 3.35Å; L99-L123 HydrophobicContact CD2-CD1 4.01Å; L99-L123 HydrophobicContact CD2-CD2 4.07Å; L99-L123 HydrophobicContact CG-CD2 4.1Å
100	C	78.1	Confident	74.2	Confident	31 Å²	31	40 Å²	40	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176.8	-68	0	0	0	0	112.1	L96 L97 P98 V102 F103 W104	L96-C100 WeakPolarHBondContact O-CB 3.45Å; L96-C100 PolarHBondContact O-N 3.17Å; L96-C100 PolarHBondContact O-SG 3.28Å; L97-C100 PolarHBondContact O-N 3.29Å; P98-C100 VanDerWaalsContact C-N 3.32Å; P98-C100 PolarHBondContact O-N 2.76Å; C100-V102 VanDerWaalsContact C-N 3.32Å; C100-V102 PolarHBondContact O-N 3.06Å; C100-F103 PolarHBondContact O-N 2.93Å; C100-W104 HydrophobicContact CB-CE3 3.88Å; C100-W104 HydrophobicContact CB-CZ3 4.27Å; C100-W104 WeakPolarHBondContact O-CA 3.24Å; C100-W104 WeakPolarHBondContact O-CB 3.26Å; C100-W104 PolarHBondContact O-N 2.92Å
101	L	73.9	Confident	73.6	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-31.7	178.8	-69.7	171.2	0	0	0	112.7	L30 L97 P98 L99 T105 S107 Y161 V164 R165	L30-L101 HydrophobicContact CD1-CD2 4.41Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.26Å; L97-L101 PolarHBondContact O-N 3.37Å; P98-L101 PolarHBondContact O-N 2.92Å; L99-L101 VanDerWaalsContact C-N 3.35Å; L99-L101 PolarHBondContact O-N 3.45Å; L101-T105 WeakPolarHBondContact O-CB 3.25Å; L101-S107 PolarHBondContact O-OG 3.37Å; L101-Y161 HydrophobicContact CD1-CD2 4.05Å; L101-V164 HydrophobicContact CB-CG1 4.12Å; L101-V164 HydrophobicContact CD1-CB 4.33Å; L101-V164 HydrophobicContact CD1-CG1 4.32Å; L101-R165 HydrophobicContact CD1-CB 4.41Å
102	V	74.8	Confident	73.6	Confident	35 Å²	35	46.3 Å²	46.3	21%	0.212	26%	0.259	C	S	.	.	H	α-helix	trans	-76.4	-39.6	178.2	170	0	0	0	0	111.8	P98 L99 C100 T110 I119 V164 T168	P98-V102 WeakPolarHBondContact O-CB 3.38Å; P98-V102 VanDerWaalsContact O-CG2 3.25Å; P98-V102 WeakPolarHBondContact O-CG2 3.26Å; P98-V102 PolarHBondContact O-N 2.97Å; L99-V102 PolarHBondContact O-N 2.81Å; C100-V102 VanDerWaalsContact C-N 3.32Å; C100-V102 PolarHBondContact O-N 3.06Å; V102-T110 HydrophobicContact CG1-CG2 4.45Å; V102-I119 HydrophobicContact CG2-CD1 4.42Å; V102-I119 HydrophobicContact CG2-CG2 3.96Å; V102-V164 HydrophobicContact CG2-CG1 4.08Å; V102-T168 HydrophobicContact CG2-CG2 4.07Å
103	F	73.7	Confident	73.6	Confident	147 Å²	147	49 Å²	49	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-93.2	-28.6	-174.6	-72.2	-66.8	0	0	0	114.6	L99 C100	L99-F103 HydrophobicContact CB-CD2 4.5Å; L99-F103 HydrophobicContact CD2-CE2 4.03Å; L99-F103 WeakPolarHBondContact O-CD2 3.38Å; L99-F103 PolarHBondContact O-N 3.35Å; C100-F103 PolarHBondContact O-N 2.93Å
104	W	66.6	Low	73.6	Confident	65 Å²	65	49.1 Å²	49.1	25%	0.246	27%	0.273	C	S	.	.	S	Bend	trans	-119.6	20.5	-171.9	-67.9	-58.3	0	0	0	113.8	L22 S23 C100	L22-W104 HydrophobicContact CB-CD2 4.29Å; L22-W104 HydrophobicContact CB-CG 3.89Å; L22-W104 HydrophobicContact CD2-CD2 4.04Å; L22-W104 HydrophobicContact CD2-CE3 4.44Å; L22-W104 HydrophobicContact CD2-CG 4.47Å; L22-W104 HydrophobicContact CD2-CZ2 4.06Å; S23-W104 WeakPolarHBondContact CA-O 3.46Å; C100-W104 HydrophobicContact CB-CE3 3.88Å; C100-W104 HydrophobicContact CB-CZ3 4.27Å; C100-W104 WeakPolarHBondContact O-CA 3.24Å; C100-W104 WeakPolarHBondContact O-CB 3.26Å; C100-W104 PolarHBondContact O-N 2.92Å
105	T	62.5	Low	73.8	Confident	11 Å²	11	49.1 Å²	49.1	7%	0.067	27%	0.273	C	S	.	.	S	Bend	trans	-135.5	143.2	173.3	-65.9	0	0	0	0	110.5	M26 D27 L30 L101 S107 H169	M26-T105 WeakPolarHBondContact CG-OG1 3.4Å; D27-T105 WeakPolarHBondContact OD1-CA 3.47Å; D27-T105 WeakPolarHBondContact OD1-CB 3.4Å; D27-T105 WeakPolarHBondContact OD1-CG2 3.21Å; D27-T105 PolarHBondContact OD1-OG1 3Å; L30-T105 HydrophobicContact CD1-CG2 4.23Å; L101-T105 WeakPolarHBondContact O-CB 3.25Å; T105-S107 PolarHBondContact O-N 3.47Å; T105-S107 PolarHBondContact O-OG 3.2Å; T105-H169 VanDerWaalsContact CG2-NE2 3.34Å; T105-H169 WeakPolarHBondContact CG2-NE2 3.48Å
106	S	59	Low	73.9	Confident	76 Å²	76	53.1 Å²	53.1	53%	0.531	29%	0.292	S	S	.	.			trans	-60.2	75.4	-179.3	42.3	0	0	0	0	113.1	D27 S108 H169	D27-S106 WeakPolarHBondContact OD2-CB 3.44Å; D27-S106 PolarHBondContact OD2-N 2.83Å; D27-S106 PolarHBondContact OD2-OG 3.34Å; S106-S108 PolarHBondContact O-N 2.94Å; S106-S108 VanDerWaalsContact O-N 3.11Å; S106-H169 PolarHBondContact O-CE1 2.97Å; S106-H169 PolarHBondContact O-NE2 2.96Å
107	S	62.8	Low	74.3	Confident	29 Å²	29	52.3 Å²	52.3	20%	0.203	29%	0.288	C	S	.	.			trans	-85.9	92.1	-170.6	-56.4	0	0	0	0	112.2	L101 T105 K109 T110	L101-S107 PolarHBondContact O-OG 3.37Å; T105-S107 PolarHBondContact O-N 3.47Å; T105-S107 PolarHBondContact O-OG 3.2Å; S107-K109 PolarHBondContact O-N 3.42Å; S107-T110 WeakPolarHBondContact CB-OG1 3.08Å
108	S	62.6	Low	74.6	Confident	76 Å²	76	49.5 Å²	49.5	53%	0.531	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-179.2	63.2	0	0	0	0	113.6	S106	S106-S108 PolarHBondContact O-N 2.94Å; S106-S108 VanDerWaalsContact O-N 3.11Å
109	K	69.7	Low	74.9	Confident	53 Å²	53	49.9 Å²	49.9	23%	0.23	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	0.7	-174.3	-51.8	-61.7	-171	168	0	114.7	S107 S111 L112 N115 T168 E172	S107-K109 PolarHBondContact O-N 3.42Å; K109-S111 PolarHBondContact O-N 3.49Å; K109-L112 HydrophobicContact CB-CD1 4.25Å; K109-L112 HydrophobicContact CD-CD1 4.2Å; K109-L112 WeakPolarHBondContact O-CB 3.49Å; K109-L112 PolarHBondContact O-N 3.48Å; K109-N115 PolarHBondContact O-ND2 3.27Å; K109-T168 WeakPolarHBondContact CB-O 3.36Å; K109-T168 PolarHBondContact N-O 3.14Å; K109-E172 WeakPolarHBondContact CE-OE1 3.35Å; K109-E172 IonicContact NZ-OE1 2.66Å; K109-E172 PolarHBondContact NZ-OE1 3.25Å
110	T	65.9	Low	75.2	Confident	26 Å²	26	49 Å²	49	16%	0.16	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.6	177.4	-59.3	0	0	0	0	113.1	V102 S107 L112 Q116 T168	V102-T110 HydrophobicContact CG1-CG2 4.45Å; S107-T110 WeakPolarHBondContact CB-OG1 3.08Å; T110-L112 PolarHBondContact O-N 2.92Å; T110-Q116 WeakPolarHBondContact O-CG 3.28Å; T110-Q116 PolarHBondContact O-NE2 3.34Å; T110-T168 WeakPolarHBondContact OG1-CG2 3.38Å
111	S	68.9	Low	75.7	Confident	94 Å²	94	48.5 Å²	48.5	66%	0.657	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.7	170.9	56.6	0	0	0	0	113.3	K109	K109-S111 PolarHBondContact O-N 3.49Å
112	L	80.1	Confident	76.3	Confident	64 Å²	64	48.2 Å²	48.2	34%	0.335	27%	0.272	S	S	.	.	S	Bend	trans	-79.8	126.9	-179.4	-59	179	0	0	0	110.9	K109 T110 P114 N115 Q116	K109-L112 HydrophobicContact CB-CD1 4.25Å; K109-L112 HydrophobicContact CD-CD1 4.2Å; K109-L112 WeakPolarHBondContact O-CB 3.49Å; K109-L112 PolarHBondContact O-N 3.48Å; T110-L112 PolarHBondContact O-N 2.92Å; L112-P114 VanDerWaalsContact C-CD 3.49Å; L112-N115 HydrophobicContact CB-CB 4.43Å; L112-N115 PolarHBondContact O-N 3.31Å; L112-N115 VanDerWaalsContact O-N 3.09Å; L112-Q116 PolarHBondContact O-N 2.94Å; L112-Q116 VanDerWaalsContact O-N 3.12Å
113	L	82.1	Confident	76.8	Confident	96 Å²	96	47.9 Å²	47.9	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-54.4	-43.9	-178.8	-178	65	0	0	0	114.1	N115 Q116 L117 V178	L113-N115 VanDerWaalsContact C-N 3.29Å; L113-N115 PolarHBondContact O-N 2.84Å; L113-Q116 PolarHBondContact O-N 2.92Å; L113-L117 HydrophobicContact CD1-CD1 4.4Å; L113-L117 HydrophobicContact CD1-CG 4.29Å; L113-L117 HydrophobicContact CG-CD1 4.21Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 3.49Å; L113-V178 HydrophobicContact CD2-CG2 4.17Å; L113-V178 HydrophobicContact CG-CG2 4.24Å
114	P	83.4	Confident	77.3	Confident	13 Å²	13	43 Å²	43	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-57.7	-40.5	176.2	-21.8	30.1	0	0	0	113.3	L112 L117 L118 Y173 W177 V178	L112-P114 VanDerWaalsContact C-CD 3.49Å; P114-L117 PolarHBondContact O-N 3.04Å; P114-L118 WeakPolarHBondContact O-CG 3.42Å; P114-L118 PolarHBondContact O-N 3.46Å; P114-Y173 HydrophobicContact CB-CD2 3.91Å; P114-Y173 HydrophobicContact CB-CG 4.17Å; P114-W177 HydrophobicContact CG-CB 4.42Å; P114-V178 HydrophobicContact CB-CG2 4.31Å; P114-V178 HydrophobicContact CG-CG2 3.72Å
115	N	84.4	Confident	78.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-42.6	-177.9	-65.5	-2.1	0	0	0	110.5	K109 L112 L113 L117 L118 I119 L167 A171 Y173	K109-N115 PolarHBondContact O-ND2 3.27Å; L112-N115 HydrophobicContact CB-CB 4.43Å; L112-N115 PolarHBondContact O-N 3.31Å; L112-N115 VanDerWaalsContact O-N 3.09Å; L113-N115 VanDerWaalsContact C-N 3.29Å; L113-N115 PolarHBondContact O-N 2.84Å; N115-L117 VanDerWaalsContact C-N 3.33Å; N115-L117 PolarHBondContact O-N 3.5Å; N115-L118 PolarHBondContact O-N 3.05Å; N115-I119 WeakPolarHBondContact O-CB 3.28Å; N115-I119 WeakPolarHBondContact O-CD1 3.44Å; N115-I119 WeakPolarHBondContact O-CG1 3.24Å; N115-I119 PolarHBondContact O-N 3.39Å; N115-L167 PolarHBondContact ND2-O 2.65Å; N115-A171 PolarHBondContact ND2-O 3.17Å; N115-A171 VanDerWaalsContact ND2-O 3.1Å; N115-Y173 WeakPolarHBondContact OD1-CD2 3.17Å; N115-Y173 WeakPolarHBondContact OD1-CE2 3.42Å
116	Q	84.4	Confident	78.9	Confident	95 Å²	95	39.6 Å²	39.6	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-42.6	175.3	-67.4	179.6	-21.8	0	0	112	T110 L112 L113 G120	T110-Q116 WeakPolarHBondContact O-CG 3.28Å; T110-Q116 PolarHBondContact O-NE2 3.34Å; L112-Q116 PolarHBondContact O-N 2.94Å; L112-Q116 VanDerWaalsContact O-N 3.12Å; L113-Q116 PolarHBondContact O-N 2.92Å; Q116-G120 WeakPolarHBondContact O-CA 3.37Å; Q116-G120 PolarHBondContact O-N 2.62Å
117	L	87.1	Confident	79.5	Confident	68 Å²	68	39 Å²	39	36%	0.356	23%	0.231	S	C	.	.	H	α-helix	trans	-65.4	-44.6	178.3	-69.7	175.4	0	0	0	111.7	L113 P114 N115 G120 M121 V178 F183	L113-L117 HydrophobicContact CD1-CD1 4.4Å; L113-L117 HydrophobicContact CD1-CG 4.29Å; L113-L117 HydrophobicContact CG-CD1 4.21Å; L113-L117 WeakPolarHBondContact O-CG 3.39Å; L113-L117 PolarHBondContact O-N 3.49Å; P114-L117 PolarHBondContact O-N 3.04Å; N115-L117 VanDerWaalsContact C-N 3.33Å; N115-L117 PolarHBondContact O-N 3.5Å; L117-G120 PolarHBondContact O-N 3.07Å; L117-M121 VanDerWaalsContact O-CG 3.3Å; L117-M121 WeakPolarHBondContact O-CG 3.29Å; L117-M121 PolarHBondContact O-N 2.88Å; L117-V178 HydrophobicContact CD1-CG1 4.02Å; L117-V178 HydrophobicContact CD1-CG2 4.38Å; L117-F183 HydrophobicContact CB-CZ 3.92Å; L117-F183 HydrophobicContact CD1-CE1 3.85Å; L117-F183 HydrophobicContact CD1-CZ 3.8Å
118	L	86.7	Confident	79.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-44.4	178.3	-69.6	168.7	0	0	0	112.1	P114 N115 G120 M121 F122 L167 Y173 F183 F241 A244	P114-L118 WeakPolarHBondContact O-CG 3.42Å; P114-L118 PolarHBondContact O-N 3.46Å; N115-L118 PolarHBondContact O-N 3.05Å; L118-G120 VanDerWaalsContact C-N 3.27Å; L118-G120 PolarHBondContact O-N 3.22Å; L118-M121 HydrophobicContact CD2-SD 4.35Å; L118-M121 PolarHBondContact O-N 2.91Å; L118-F122 PolarHBondContact O-N 2.98Å; L118-L167 HydrophobicContact CB-CD1 4.02Å; L118-L167 HydrophobicContact CB-CD2 4.21Å; L118-L167 HydrophobicContact CD1-CD2 3.84Å; L118-Y173 HydrophobicContact CD1-CE2 3.99Å; L118-Y173 VanDerWaalsContact CD1-OH 3.31Å; L118-Y173 WeakPolarHBondContact CD1-OH 3.31Å; L118-F183 HydrophobicContact CD1-CE2 4.46Å; L118-F183 HydrophobicContact CD2-CE2 4.17Å; L118-F183 HydrophobicContact CG-CE2 4.11Å; L118-F241 HydrophobicContact CB-CE2 4.2Å; L118-F241 HydrophobicContact CD2-CD2 4.23Å; L118-F241 HydrophobicContact CD2-CE2 4.07Å; L118-F241 WeakPolarHBondContact O-CE2 3.49Å; L118-A244 HydrophobicContact CD2-CB 3.72Å
119	I	86	Confident	79.1	Confident	9 Å²	9	38 Å²	38	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-41.9	173.9	-67.2	165.6	0	0	0	109.8	V102 N115 F122 L123 L167 T168	V102-I119 HydrophobicContact CG2-CD1 4.42Å; V102-I119 HydrophobicContact CG2-CG2 3.96Å; N115-I119 WeakPolarHBondContact O-CB 3.28Å; N115-I119 WeakPolarHBondContact O-CD1 3.44Å; N115-I119 WeakPolarHBondContact O-CG1 3.24Å; N115-I119 PolarHBondContact O-N 3.39Å; I119-F122 PolarHBondContact O-N 3.4Å; I119-L123 HydrophobicContact CG2-CD1 3.78Å; I119-L123 HydrophobicContact CG2-CG 4.19Å; I119-L123 WeakPolarHBondContact O-CB 3.28Å; I119-L123 VanDerWaalsContact O-CG 3.3Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 2.71Å; I119-L167 HydrophobicContact CD1-CB 4.2Å; I119-L167 HydrophobicContact CG1-CB 3.97Å; I119-L167 HydrophobicContact CG1-CD1 4.08Å; I119-T168 HydrophobicContact CD1-CG2 3.61Å
120	G	86.4	Confident	78.6	Confident	34 Å²	34	37.1 Å²	37.1	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-44.5	175.8	0	0	0	0	0	112.9	Q116 L117 L118 L123 C124	Q116-G120 WeakPolarHBondContact O-CA 3.37Å; Q116-G120 PolarHBondContact O-N 2.62Å; L117-G120 PolarHBondContact O-N 3.07Å; L118-G120 VanDerWaalsContact C-N 3.27Å; L118-G120 PolarHBondContact O-N 3.22Å; G120-L123 PolarHBondContact O-N 3.46Å; G120-C124 WeakPolarHBondContact O-CB 3.36Å; G120-C124 PolarHBondContact O-N 2.84Å
121	M	88.6	Confident	77.8	Confident	21 Å²	21	35.9 Å²	35.9	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-48.8	173.7	-72.3	171.4	-166.7	0	0	111.1	L117 L118 L123 C124 H125 S187 W190 F241	L117-M121 VanDerWaalsContact O-CG 3.3Å; L117-M121 WeakPolarHBondContact O-CG 3.29Å; L117-M121 PolarHBondContact O-N 2.88Å; L118-M121 HydrophobicContact CD2-SD 4.35Å; L118-M121 PolarHBondContact O-N 2.91Å; M121-L123 PolarHBondContact O-N 3.36Å; M121-C124 PolarHBondContact O-N 2.91Å; M121-H125 PolarHBondContact O-N 3.42Å; M121-S187 VanDerWaalsContact CE-OG 3.3Å; M121-S187 WeakPolarHBondContact CE-OG 2.97Å; M121-W190 HydrophobicContact CB-CD2 3.92Å; M121-W190 HydrophobicContact CB-CE3 4.3Å; M121-W190 HydrophobicContact CB-CG 4.48Å; M121-W190 HydrophobicContact CB-CH2 4.25Å; M121-W190 HydrophobicContact CB-CZ2 3.86Å; M121-W190 HydrophobicContact CB-CZ3 4.45Å; M121-W190 HydrophobicContact CG-CD2 3.8Å; M121-W190 HydrophobicContact CG-CE3 3.77Å; M121-W190 HydrophobicContact CG-CG 4.43Å; M121-W190 HydrophobicContact CG-CH2 4.3Å; M121-W190 HydrophobicContact CG-CZ2 4.32Å; M121-W190 HydrophobicContact CG-CZ3 4.02Å; M121-W190 WeakPolarHBondContact O-CZ2 3.36Å; M121-W190 HydrophobicContact SD-CD2 4.17Å; M121-W190 HydrophobicContact SD-CE3 4.32Å; M121-W190 HydrophobicContact SD-CG 4.24Å; M121-F241 HydrophobicContact CB-CD2 4.42Å
122	F	86.4	Confident	77.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-50.4	178.8	-168.7	-88.6	0	0	0	111.3	S94 P98 L118 I119 C124 H125 Y126 Q163 V164 W238 F241 F253	S94-F122 WeakPolarHBondContact O-CE1 3.48Å; P98-F122 HydrophobicContact CG-CD1 4.39Å; P98-F122 HydrophobicContact CG-CE1 3.94Å; L118-F122 PolarHBondContact O-N 2.98Å; I119-F122 PolarHBondContact O-N 3.4Å; F122-C124 PolarHBondContact O-N 2.84Å; F122-H125 WeakPolarHBondContact O-CB 3.36Å; F122-H125 PolarHBondContact O-N 2.89Å; F122-Y126 AromaticContact CD1-CD2 3.79Å; F122-Y126 HydrophobicContact CD1-CD2 3.79Å; F122-Y126 AromaticContact CD1-CE2 3.97Å; F122-Y126 HydrophobicContact CD1-CE2 3.97Å; F122-Y126 HydrophobicContact CD2-CE2 4.15Å; F122-Y126 AromaticContact CE1-CD2 3.54Å; F122-Y126 HydrophobicContact CE1-CD2 3.54Å; F122-Y126 AromaticContact CE1-CE2 3.41Å; F122-Y126 HydrophobicContact CE1-CE2 3.41Å; F122-Y126 VanDerWaalsContact CE1-CE2 3.41Å; F122-Y126 HydrophobicContact CE2-CD2 4.41Å; F122-Y126 AromaticContact CE2-CE2 3.63Å; F122-Y126 HydrophobicContact CE2-CE2 3.63Å; F122-Y126 HydrophobicContact CG-CD2 4.33Å; F122-Y126 HydrophobicContact CG-CE2 4.32Å; F122-Y126 AromaticContact CZ-CD2 3.9Å; F122-Y126 HydrophobicContact CZ-CD2 3.9Å; F122-Y126 AromaticContact CZ-CE2 3.23Å; F122-Y126 HydrophobicContact CZ-CE2 3.23Å; F122-Y126 VanDerWaalsContact O-CD2 3.28Å; F122-Y126 WeakPolarHBondContact O-CD2 3.13Å; F122-Y126 PolarHBondContact O-N 3.22Å; F122-Y126 VanDerWaalsContact O-N 3.17Å; F122-Q163 HydrophobicContact CE2-CB 4.09Å; F122-Q163 HydrophobicContact CE2-CG 4.04Å; F122-Q163 HydrophobicContact CZ-CB 4.41Å; F122-V164 HydrophobicContact CD1-CG2 4.18Å; F122-V164 HydrophobicContact CE1-CG2 4.35Å; F122-W238 AromaticContact CD2-CH2 3.9Å; F122-W238 HydrophobicContact CD2-CH2 3.9Å; F122-W238 AromaticContact CD2-CZ3 3.82Å; F122-W238 HydrophobicContact CD2-CZ3 3.82Å; F122-W238 HydrophobicContact CE2-CH2 4.07Å; F122-W238 HydrophobicContact CE2-CZ3 4.19Å; F122-F241 HydrophobicContact CB-CE2 4.27Å; F122-F241 HydrophobicContact CB-CZ 4.41Å; F122-F241 HydrophobicContact CD2-CZ 4.17Å; F122-F253 HydrophobicContact CE2-CE1 4.43Å
123	L	84.9	Confident	76.1	Confident	29 Å²	29	36 Å²	36	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-41.9	177.8	-69.4	176	0	0	0	111.9	L95 P98 L99 I119 G120 M121 H125 Y126 V127	L95-L123 HydrophobicContact CD1-CD2 3.96Å; P98-L123 HydrophobicContact CB-CD2 3.77Å; L99-L123 HydrophobicContact CD2-CD1 4.01Å; L99-L123 HydrophobicContact CD2-CD2 4.07Å; L99-L123 HydrophobicContact CG-CD2 4.1Å; I119-L123 HydrophobicContact CG2-CD1 3.78Å; I119-L123 HydrophobicContact CG2-CG 4.19Å; I119-L123 WeakPolarHBondContact O-CB 3.28Å; I119-L123 VanDerWaalsContact O-CG 3.3Å; I119-L123 WeakPolarHBondContact O-CG 3.41Å; I119-L123 PolarHBondContact O-N 2.71Å; G120-L123 PolarHBondContact O-N 3.46Å; M121-L123 PolarHBondContact O-N 3.36Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 2.89Å; L123-Y126 PolarHBondContact O-N 3.35Å; L123-V127 WeakPolarHBondContact O-CB 3.34Å; L123-V127 WeakPolarHBondContact O-CG2 3.38Å; L123-V127 PolarHBondContact O-N 3.32Å
124	C	84.9	Confident	75.4	Confident	44 Å²	44	33.7 Å²	33.7	30%	0.297	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-42.6	178.8	-173.6	0	0	0	0	111.4	G120 M121 F122 Q128 W190	G120-C124 WeakPolarHBondContact O-CB 3.36Å; G120-C124 PolarHBondContact O-N 2.84Å; M121-C124 PolarHBondContact O-N 2.91Å; F122-C124 PolarHBondContact O-N 2.84Å; C124-Q128 VanDerWaalsContact O-CB 3.25Å; C124-Q128 WeakPolarHBondContact O-CB 3.11Å; C124-Q128 PolarHBondContact O-N 3.4Å; C124-W190 HydrophobicContact CB-CH2 4.02Å; C124-W190 HydrophobicContact CB-CZ2 4.41Å
125	H	85.1	Confident	74.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.1	-54.1	171.9	178.4	88.5	0	0	0	111.4	M121 F122 L123 S129 W190 E237 W238	M121-H125 PolarHBondContact O-N 3.42Å; F122-H125 WeakPolarHBondContact O-CB 3.36Å; F122-H125 PolarHBondContact O-N 2.89Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 2.89Å; H125-S129 WeakPolarHBondContact O-CA 3.08Å; H125-S129 WeakPolarHBondContact O-CB 3.38Å; H125-S129 PolarHBondContact O-N 2.99Å; H125-W190 HydrophobicContact CB-CZ2 4.36Å; H125-E237 WeakPolarHBondContact CB-OE1 3.27Å; H125-E237 IonicContact CE1-OE1 3.18Å; H125-E237 IonicContact CE1-OE2 3.33Å; H125-E237 PolarHBondContact CE1-OE2 2.97Å; H125-E237 IonicContact CG-OE1 3.45Å; H125-E237 IonicContact ND1-OE1 3.75Å; H125-E237 PolarHBondContact ND1-OE1 3.1Å; H125-E237 IonicContact ND1-OE2 2.68Å; H125-E237 PolarHBondContact ND1-OE2 3.27Å; H125-W238 HydrophobicContact CB-CH2 4.2Å; H125-W238 HydrophobicContact CB-CZ2 4.45Å; H125-W238 AromaticContact CD2-CH2 3.91Å; H125-W238 AromaticContact CD2-CZ2 3.44Å; H125-W238 VanDerWaalsContact CD2-CZ2 3.44Å; H125-W238 WeakPolarHBondContact CD2-CZ2 3.4Å; H125-W238 AromaticContact CE1-CZ2 3.84Å; H125-W238 AromaticContact CG-CH2 3.94Å; H125-W238 AromaticContact CG-CZ2 3.71Å; H125-W238 AromaticContact ND1-CZ2 3.96Å; H125-W238 AromaticContact NE2-CZ2 3.56Å
126	Y	77.6	Confident	73.1	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.02	20%	0.204	C	C	.	.	I	π-helix	trans	-69.9	-39.2	-174.7	-78.6	-79.2	0	0	0	112.9	S94 F122 L123 R130 T131 W238	S94-Y126 VanDerWaalsContact CB-CZ 3.48Å; F122-Y126 AromaticContact CD1-CD2 3.79Å; F122-Y126 HydrophobicContact CD1-CD2 3.79Å; F122-Y126 AromaticContact CD1-CE2 3.97Å; F122-Y126 HydrophobicContact CD1-CE2 3.97Å; F122-Y126 HydrophobicContact CD2-CE2 4.15Å; F122-Y126 AromaticContact CE1-CD2 3.54Å; F122-Y126 HydrophobicContact CE1-CD2 3.54Å; F122-Y126 AromaticContact CE1-CE2 3.41Å; F122-Y126 HydrophobicContact CE1-CE2 3.41Å; F122-Y126 VanDerWaalsContact CE1-CE2 3.41Å; F122-Y126 HydrophobicContact CE2-CD2 4.41Å; F122-Y126 AromaticContact CE2-CE2 3.63Å; F122-Y126 HydrophobicContact CE2-CE2 3.63Å; F122-Y126 HydrophobicContact CG-CD2 4.33Å; F122-Y126 HydrophobicContact CG-CE2 4.32Å; F122-Y126 AromaticContact CZ-CD2 3.9Å; F122-Y126 HydrophobicContact CZ-CD2 3.9Å; F122-Y126 AromaticContact CZ-CE2 3.23Å; F122-Y126 HydrophobicContact CZ-CE2 3.23Å; F122-Y126 VanDerWaalsContact O-CD2 3.28Å; F122-Y126 WeakPolarHBondContact O-CD2 3.13Å; F122-Y126 PolarHBondContact O-N 3.22Å; F122-Y126 VanDerWaalsContact O-N 3.17Å; L123-Y126 PolarHBondContact O-N 3.35Å; Y126-R130 PolarHBondContact O-N 2.89Å; Y126-T131 PolarHBondContact O-N 2.97Å; Y126-T131 PolarHBondContact O-OG1 3.01Å; Y126-W238 AromaticContact CE2-CH2 3.93Å; Y126-W238 HydrophobicContact CE2-CH2 3.93Å; Y126-W238 HydrophobicContact CE2-CZ2 4.22Å
127	V	71.5	Confident	72.1	Confident	62 Å²	62	38.7 Å²	38.7	38%	0.376	20%	0.203	S	C	.	.	I	π-helix	trans	-59.5	-52.4	175	170.2	0	0	0	0	110.7	L95 L123	L95-V127 HydrophobicContact CD1-CG2 3.55Å; L95-V127 HydrophobicContact CD2-CG2 4.29Å; L123-V127 WeakPolarHBondContact O-CB 3.34Å; L123-V127 WeakPolarHBondContact O-CG2 3.38Å; L123-V127 PolarHBondContact O-N 3.32Å
128	Q	62.4	Low	71.1	Confident	79 Å²	79	36.2 Å²	36.2	37%	0.369	19%	0.19	S	C	.	.	I	π-helix	trans	-85.5	-42.6	-171.2	-172	134.1	-12.5	0	0	113.1	C124 I133 W194 I198	C124-Q128 VanDerWaalsContact O-CB 3.25Å; C124-Q128 WeakPolarHBondContact O-CB 3.11Å; C124-Q128 PolarHBondContact O-N 3.4Å; Q128-I133 HydrophobicContact CG-CD1 4.28Å; Q128-I133 WeakPolarHBondContact O-CB 3.43Å; Q128-W194 HydrophobicContact CB-CZ2 3.62Å; Q128-W194 HydrophobicContact CG-CH2 4.28Å; Q128-W194 HydrophobicContact CG-CZ2 3.53Å; Q128-I198 HydrophobicContact CG-CD1 3.87Å
129	S	55.2	Low	69.9	Low	5 Å²	5	41.7 Å²	41.7	4%	0.035	21%	0.211	C	C	.	.	I	π-helix	trans	-88.9	-25.8	-168.8	-65.8	0	0	0	0	113.5	H125 Y134 W194	H125-S129 WeakPolarHBondContact O-CA 3.08Å; H125-S129 WeakPolarHBondContact O-CB 3.38Å; H125-S129 PolarHBondContact O-N 2.99Å; S129-Y134 WeakPolarHBondContact O-CB 3.29Å; S129-W194 PolarHBondContact OG-NE1 2.97Å
130	R	58.9	Low	68.4	Low	36 Å²	36	43 Å²	43	14%	0.136	23%	0.226	C	C	.	.	I	π-helix	trans	-143.3	-28.1	-162.6	-71.1	-164.2	169.4	174.3	2.4	119.4	E91 Y126 P135 E234	E91-R130 HydrophobicContact CB-CB 4.38Å; E91-R130 HydrophobicContact CG-CB 4.15Å; Y126-R130 PolarHBondContact O-N 2.89Å; R130-P135 WeakPolarHBondContact O-CD 3.45Å; R130-P135 WeakPolarHBondContact O-CG 3.34Å; R130-E234 IonicContact CZ-OE1 2.92Å; R130-E234 IonicContact CZ-OE2 2.62Å; R130-E234 IonicContact NH1-OE1 2.96Å; R130-E234 PolarHBondContact NH1-OE1 3.17Å; R130-E234 IonicContact NH1-OE2 3.05Å; R130-E234 IonicContact NH2-OE1 3.34Å; R130-E234 PolarHBondContact NH2-OE1 3.27Å; R130-E234 IonicContact NH2-OE2 2.65Å; R130-E234 PolarHBondContact NH2-OE2 3.45Å
131	T	49.6	Very low	67.2	Low	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-98.9	-38.2	-175.3	-29.8	0	0	0	0	112.7	F88 L92 L95 Y126	F88-T131 VanDerWaalsContact CD2-O 3.22Å; F88-T131 WeakPolarHBondContact CD2-O 3.42Å; F88-T131 WeakPolarHBondContact CE2-O 3.44Å; L92-T131 HydrophobicContact CB-CG2 4.14Å; L92-T131 HydrophobicContact CD1-CG2 3.78Å; L95-T131 HydrophobicContact CB-CG2 4.48Å; L95-T131 HydrophobicContact CD2-CG2 4.24Å; Y126-T131 PolarHBondContact O-N 2.97Å; Y126-T131 PolarHBondContact O-OG1 3.01Å
132	L	54	Low	66.2	Low	87 Å²	87	47.9 Å²	47.9	46%	0.455	25%	0.25	S	C	.	.	S	Bend	trans	-115	-25.7	-169.7	-64.2	175.4	0	0	0	115.2	F88 F136	F88-L132 HydrophobicContact CE2-CD2 4.35Å; L132-F136 WeakPolarHBondContact O-CD2 3.46Å
133	I	58.9	Low	65.5	Low	74 Å²	74	50 Å²	50	38%	0.379	27%	0.267	S	S	.	.	S	Bend	trans	-108.3	-47.9	-175.1	-61.2	178.5	0	0	0	110.9	Q128 L137	Q128-I133 HydrophobicContact CG-CD1 4.28Å; Q128-I133 WeakPolarHBondContact O-CB 3.43Å; I133-L137 HydrophobicContact CG2-CD1 3.47Å; I133-L137 VanDerWaalsContact CG2-CD1 3.47Å; I133-L137 HydrophobicContact CG2-CG 4.39Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.4Å; I133-L137 WeakPolarHBondContact O-CD1 3.09Å; I133-L137 WeakPolarHBondContact O-CG 3.25Å; I133-L137 PolarHBondContact O-N 3.03Å; I133-L137 VanDerWaalsContact O-N 3.14Å
134	Y	66.1	Low	65	Low	46 Å²	46	48.8 Å²	48.8	18%	0.18	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-51.6	-176.6	-176.6	-96.8	0	0	0	113.5	W87 S129 F136 L137 I138 D201	W87-Y134 HydrophobicContact CD2-CE1 4.35Å; W87-Y134 HydrophobicContact CE3-CD1 4.34Å; W87-Y134 HydrophobicContact CE3-CE1 4.21Å; W87-Y134 HydrophobicContact CZ3-CE1 4.36Å; S129-Y134 WeakPolarHBondContact O-CB 3.29Å; Y134-F136 VanDerWaalsContact C-N 3.28Å; Y134-F136 PolarHBondContact O-N 3.17Å; Y134-L137 CarbonylContact O-C 3.58Å; Y134-L137 PolarHBondContact O-N 2.94Å; Y134-I138 HydrophobicContact CD1-CD1 3.85Å; Y134-I138 HydrophobicContact CD1-CG1 3.96Å; Y134-I138 HydrophobicContact CE1-CD1 3.55Å; Y134-I138 HydrophobicContact CE1-CG1 3.7Å; Y134-I138 WeakPolarHBondContact O-CG1 3.48Å; Y134-I138 PolarHBondContact O-N 3.45Å; Y134-D201 HydrophobicContact CD2-CB 4.31Å; Y134-D201 HydrophobicContact CE2-CB 4.05Å
135	P	59.1	Low	64.8	Low	3 Å²	3	47 Å²	47	2%	0.019	25%	0.249	C	C	.	.	H	α-helix	trans	-60.6	-36.6	-177.4	-23.2	34.5	0	0	0	113.2	W87 F88 R130 L137	W87-P135 HydrophobicContact CB-CB 4.18Å; W87-P135 HydrophobicContact CB-CG 4.21Å; F88-P135 HydrophobicContact CB-CB 4.21Å; R130-P135 WeakPolarHBondContact O-CD 3.45Å; R130-P135 WeakPolarHBondContact O-CG 3.34Å; P135-L137 VanDerWaalsContact C-N 3.32Å
136	F	62	Low	64.5	Low	129 Å²	129	50.9 Å²	50.9	57%	0.566	27%	0.266	S	S	*	.	H	α-helix	trans	-73.2	-25.1	177.7	-67.3	-87.3	0	0	0	112.7	F88 L132 Y134	F88-F136 AromaticContact CD2-CE2 3.71Å; F88-F136 HydrophobicContact CD2-CE2 3.71Å; F88-F136 HydrophobicContact CD2-CZ 4.03Å; F88-F136 AromaticContact CE2-CE2 3.77Å; F88-F136 HydrophobicContact CE2-CE2 3.77Å; F88-F136 AromaticContact CE2-CZ 3.94Å; F88-F136 HydrophobicContact CE2-CZ 3.94Å; L132-F136 WeakPolarHBondContact O-CD2 3.46Å; Y134-F136 VanDerWaalsContact C-N 3.28Å; Y134-F136 PolarHBondContact O-N 3.17Å
137	L	62.5	Low	64.6	Low	81 Å²	81	53 Å²	53	42%	0.424	29%	0.285	S	S	.	.	H	α-helix	trans	-98.1	0.2	178	-64.2	177.4	0	0	0	114	I133 Y134 P135 R139	I133-L137 HydrophobicContact CG2-CD1 3.47Å; I133-L137 VanDerWaalsContact CG2-CD1 3.47Å; I133-L137 HydrophobicContact CG2-CG 4.39Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.4Å; I133-L137 WeakPolarHBondContact O-CD1 3.09Å; I133-L137 WeakPolarHBondContact O-CG 3.25Å; I133-L137 PolarHBondContact O-N 3.03Å; I133-L137 VanDerWaalsContact O-N 3.14Å; Y134-L137 CarbonylContact O-C 3.58Å; Y134-L137 PolarHBondContact O-N 2.94Å; P135-L137 VanDerWaalsContact C-N 3.32Å; L137-R139 PolarHBondContact O-N 3.34Å
138	I	66.8	Low	64.9	Low	16 Å²	16	51.1 Å²	51.1	8%	0.082	27%	0.274	C	S	.	.			trans	-62.6	119.7	174.5	-73.8	170.1	0	0	0	109.1	V83 K84 W87 Y134 G140	V83-I138 HydrophobicContact CG1-CG2 4.31Å; K84-I138 WeakPolarHBondContact CE-O 3.16Å; W87-I138 HydrophobicContact CB-CD1 4.12Å; W87-I138 HydrophobicContact CD2-CD1 4.41Å; W87-I138 HydrophobicContact CG-CD1 3.89Å; Y134-I138 HydrophobicContact CD1-CD1 3.85Å; Y134-I138 HydrophobicContact CD1-CG1 3.96Å; Y134-I138 HydrophobicContact CE1-CD1 3.55Å; Y134-I138 HydrophobicContact CE1-CG1 3.7Å; Y134-I138 WeakPolarHBondContact O-CG1 3.48Å; Y134-I138 PolarHBondContact O-N 3.45Å; I138-G140 VanDerWaalsContact CG2-O 3.22Å; I138-G140 WeakPolarHBondContact CG2-O 3.13Å
139	R	60.5	Low	65.8	Low	115 Å²	115	48.4 Å²	48.4	43%	0.434	26%	0.261	S	S	.	.			trans	-103	102.5	174.5	-65.8	-178	-178.6	178.9	0	109.7	L137 R208	L137-R139 PolarHBondContact O-N 3.34Å; R139-R208 HydrophobicContact CB-CB 4.37Å; R139-R208 WeakPolarHBondContact CD-O 3.24Å; R139-R208 VanDerWaalsContact O-CD 3.29Å; R139-R208 WeakPolarHBondContact O-CD 3.29Å; R139-R208 PolarHBondContact O-NH1 2.82Å
140	G	55.5	Low	67.1	Low	36 Å²	36	49.9 Å²	49.9	37%	0.371	27%	0.274	S	S	.	.			trans	70.9	171.7	-178.7	0	0	0	0	0	113.8	I138	I138-G140 VanDerWaalsContact CG2-O 3.22Å; I138-G140 WeakPolarHBondContact CG2-O 3.13Å
141	G	59.8	Low	68.3	Low	44 Å²	44	54.3 Å²	54.3	45%	0.454	30%	0.299	S	S	.	.			trans	153.7	143.6	-177.8	0	0	0	0	0	110
142	K	67.6	Low	69.9	Low	115 Å²	115	55.4 Å²	55.4	50%	0.5	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.8	168.8	-67.7	-170.6	178.6	-178.3	0	108.4	A73	A73-K142 HydrophobicContact CB-CB 4.05Å; A73-K142 HydrophobicContact CB-CD 4.29Å
143	A	72.5	Confident	71.4	Confident	44 Å²	44	55.2 Å²	55.2	36%	0.364	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-53.8	142	173.4	0	0	0	0	0	110.7	P80 V81	P80-A143 HydrophobicContact CB-CB 3.39Å; V81-A143 WeakPolarHBondContact O-CA 3.25Å; V81-A143 WeakPolarHBondContact O-CB 3.44Å
144	T	74.2	Confident	72.7	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.9	-178.8	-57.5	0	0	0	0	108.6	V81	V81-T144 PolarHBondContact N-O 2.82Å; V81-T144 PolarHBondContact O-N 3.05Å
145	P	80.9	Confident	73.8	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.032	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	139.4	175.8	-23.4	35.5	0	0	0	111.8	P68 S74 Y77 A147 S148 F149	P68-P145 WeakPolarHBondContact O-CD 3.24Å; P68-P145 WeakPolarHBondContact O-CG 3.5Å; S74-P145 WeakPolarHBondContact O-CG 3.45Å; Y77-P145 WeakPolarHBondContact O-CB 3.25Å; P145-A147 VanDerWaalsContact C-N 3.27Å; P145-A147 PolarHBondContact O-N 2.91Å; P145-S148 PolarHBondContact O-N 3.48Å; P145-F149 PolarHBondContact O-N 3.27Å
146	F	79.3	Confident	75.1	Confident	82 Å²	82	54.3 Å²	54.3	36%	0.36	31%	0.309	S	S	.	.	H	α-helix	trans	-53.5	-39.9	-178.1	180	-104.2	0	0	0	113.9	F79 V81 S148 F149 A150	F79-F146 HydrophobicContact CD1-CB 3.8Å; F79-F146 HydrophobicContact CD1-CD1 4.49Å; F79-F146 HydrophobicContact CD1-CG 4.07Å; F79-F146 HydrophobicContact CD2-CB 4.19Å; F79-F146 HydrophobicContact CE1-CB 3.59Å; F79-F146 AromaticContact CE1-CD1 3.7Å; F79-F146 HydrophobicContact CE1-CD1 3.7Å; F79-F146 AromaticContact CE1-CD2 3.63Å; F79-F146 HydrophobicContact CE1-CD2 3.63Å; F79-F146 HydrophobicContact CE1-CE1 4.27Å; F79-F146 HydrophobicContact CE1-CE2 4.2Å; F79-F146 AromaticContact CE1-CG 3.33Å; F79-F146 HydrophobicContact CE1-CG 3.33Å; F79-F146 HydrophobicContact CE1-CZ 4.49Å; F79-F146 HydrophobicContact CE2-CB 4.01Å; F79-F146 AromaticContact CE2-CD2 3.71Å; F79-F146 HydrophobicContact CE2-CD2 3.71Å; F79-F146 HydrophobicContact CE2-CE2 4.48Å; F79-F146 HydrophobicContact CE2-CG 4.05Å; F79-F146 HydrophobicContact CG-CB 4.1Å; F79-F146 HydrophobicContact CZ-CB 3.72Å; F79-F146 HydrophobicContact CZ-CD1 4.06Å; F79-F146 AromaticContact CZ-CD2 3.09Å; F79-F146 HydrophobicContact CZ-CD2 3.09Å; F79-F146 HydrophobicContact CZ-CE1 4.49Å; F79-F146 AromaticContact CZ-CE2 3.62Å; F79-F146 HydrophobicContact CZ-CE2 3.62Å; F79-F146 AromaticContact CZ-CG 3.34Å; F79-F146 HydrophobicContact CZ-CG 3.34Å; F79-F146 HydrophobicContact CZ-CZ 4.29Å; F79-F146 PolarHBondContact O-N 3.45Å; V81-F146 HydrophobicContact CG2-CB 4.19Å; V81-F146 HydrophobicContact CG2-CD2 4.15Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 2.82Å; F146-F149 AromaticContact CD2-CD1 3.96Å; F146-F149 HydrophobicContact CD2-CD1 3.96Å; F146-F149 HydrophobicContact CE2-CD1 4.02Å; F146-F149 HydrophobicContact CE2-CE1 4.28Å; F146-F149 WeakPolarHBondContact O-CB 3.46Å; F146-F149 PolarHBondContact O-N 3.06Å; F146-A150 HydrophobicContact CE1-CB 4.29Å; F146-A150 HydrophobicContact CZ-CB 4.37Å; F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 2.85Å
147	A	79.4	Confident	76.2	Confident	51 Å²	51	50.6 Å²	50.6	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-62.2	-37.1	-180	0	0	0	0	0	112.7	Y77 P145 L151	Y77-A147 WeakPolarHBondContact O-CB 3.02Å; Y77-A147 PolarHBondContact O-N 3.44Å; P145-A147 VanDerWaalsContact C-N 3.27Å; P145-A147 PolarHBondContact O-N 2.91Å; A147-L151 WeakPolarHBondContact O-CB 3.47Å; A147-L151 PolarHBondContact O-N 2.83Å; A147-L151 VanDerWaalsContact O-N 3.1Å
148	S	78.4	Confident	77.4	Confident	21 Å²	21	49.3 Å²	49.3	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-39.9	176.1	-61.8	0	0	0	0	111.6	P145 F146 A152	P145-S148 PolarHBondContact O-N 3.48Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 2.82Å; S148-A152 WeakPolarHBondContact O-CB 3.14Å; S148-A152 PolarHBondContact O-N 3.21Å
149	F	81.1	Confident	78.4	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.096	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-48.7	175.2	164.3	-103.2	0	0	0	112.1	A86 I89 Q90 P145 F146 L151 A152 F153	A86-F149 HydrophobicContact CB-CD2 3.79Å; A86-F149 HydrophobicContact CB-CE2 4.43Å; A86-F149 HydrophobicContact CB-CG 4.41Å; A86-F149 WeakPolarHBondContact O-CD2 3.07Å; A86-F149 WeakPolarHBondContact O-CE2 3.3Å; I89-F149 HydrophobicContact CB-CE2 3.86Å; I89-F149 HydrophobicContact CB-CZ 3.93Å; I89-F149 HydrophobicContact CG2-CE2 3.99Å; I89-F149 HydrophobicContact CG2-CZ 3.62Å; Q90-F149 HydrophobicContact CB-CD2 3.85Å; Q90-F149 HydrophobicContact CB-CE2 3.9Å; P145-F149 PolarHBondContact O-N 3.27Å; F146-F149 AromaticContact CD2-CD1 3.96Å; F146-F149 HydrophobicContact CD2-CD1 3.96Å; F146-F149 HydrophobicContact CE2-CD1 4.02Å; F146-F149 HydrophobicContact CE2-CE1 4.28Å; F146-F149 WeakPolarHBondContact O-CB 3.46Å; F146-F149 PolarHBondContact O-N 3.06Å; F149-L151 PolarHBondContact O-N 3Å; F149-A152 PolarHBondContact O-N 2.79Å; F149-F153 WeakPolarHBondContact O-CB 3.3Å; F149-F153 PolarHBondContact O-N 3.24Å
150	A	82.6	Confident	79.6	Confident	37 Å²	37	43.1 Å²	43.1	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-40.6	-179.7	0	0	0	0	0	112.1	F146 F153 A154	F146-A150 HydrophobicContact CE1-CB 4.29Å; F146-A150 HydrophobicContact CZ-CB 4.37Å; F146-A150 WeakPolarHBondContact O-CB 3.47Å; F146-A150 PolarHBondContact O-N 2.85Å; A150-F153 PolarHBondContact O-N 2.91Å; A150-A154 WeakPolarHBondContact O-CB 3.39Å; A150-A154 PolarHBondContact O-N 3.43Å
151	L	84.6	Confident	81.1	Confident	128 Å²	128	43.1 Å²	43.1	67%	0.67	25%	0.251	S	S	*	.	H	α-helix	trans	-66	-41.3	176.1	-174.5	63.3	0	0	0	111.8	A147 F149 A154 F155	A147-L151 WeakPolarHBondContact O-CB 3.47Å; A147-L151 PolarHBondContact O-N 2.83Å; A147-L151 VanDerWaalsContact O-N 3.1Å; F149-L151 PolarHBondContact O-N 3Å; L151-A154 PolarHBondContact O-N 2.91Å; L151-F155 WeakPolarHBondContact O-CB 3.25Å; L151-F155 PolarHBondContact O-N 3.33Å
152	A	83	Confident	82.5	Confident	24 Å²	24	41 Å²	41	20%	0.198	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-42.7	175.8	0	0	0	0	0	111.7	Q90 S148 F149 F155 C156	Q90-A152 HydrophobicContact CB-CB 4.01Å; Q90-A152 HydrophobicContact CG-CB 4.24Å; S148-A152 WeakPolarHBondContact O-CB 3.14Å; S148-A152 PolarHBondContact O-N 3.21Å; F149-A152 PolarHBondContact O-N 2.79Å; A152-F155 PolarHBondContact O-N 3.41Å; A152-C156 WeakPolarHBondContact O-CB 3.22Å; A152-C156 PolarHBondContact O-N 2.82Å; A152-C156 PolarHBondContact O-SG 3.4Å
153	F	85.1	Confident	83.4	Confident	82 Å²	82	35.7 Å²	35.7	36%	0.36	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-49.6	175.2	-179.7	-88.9	0	0	0	111.7	I89 P93 F149 A150 F155 C156 V157	I89-F153 HydrophobicContact CG2-CD2 4.19Å; I89-F153 HydrophobicContact CG2-CE2 4.26Å; I89-F153 WeakPolarHBondContact O-CD2 3.45Å; P93-F153 HydrophobicContact CG-CD2 3.63Å; P93-F153 HydrophobicContact CG-CE2 3.27Å; P93-F153 HydrophobicContact CG-CG 4.39Å; P93-F153 HydrophobicContact CG-CZ 3.77Å; F149-F153 WeakPolarHBondContact O-CB 3.3Å; F149-F153 PolarHBondContact O-N 3.24Å; A150-F153 PolarHBondContact O-N 2.91Å; F153-F155 VanDerWaalsContact C-N 3.31Å; F153-F155 PolarHBondContact O-N 3.43Å; F153-C156 PolarHBondContact O-N 3.36Å; F153-V157 HydrophobicContact CD1-CG2 4.21Å; F153-V157 HydrophobicContact CE1-CG2 3.83Å; F153-V157 HydrophobicContact CZ-CG2 4.16Å; F153-V157 WeakPolarHBondContact O-CG2 3.37Å; F153-V157 PolarHBondContact O-N 3.12Å
154	A	86.9	Confident	84.1	Confident	54 Å²	54	33.6 Å²	33.6	45%	0.446	19%	0.189	S	C	.	.	H	α-helix	trans	-60.3	-42.4	177.8	0	0	0	0	0	111.7	A150 L151 V157 Y158	A150-A154 WeakPolarHBondContact O-CB 3.39Å; A150-A154 PolarHBondContact O-N 3.43Å; L151-A154 PolarHBondContact O-N 2.91Å; A154-V157 PolarHBondContact O-N 3.49Å; A154-Y158 WeakPolarHBondContact O-CB 3.47Å; A154-Y158 PolarHBondContact O-N 3.47Å
155	F	87.2	Confident	84.6	Confident	47 Å²	47	34.1 Å²	34.1	21%	0.206	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-41.3	175.6	178.5	-95	0	0	0	112.4	M51 L151 A152 F153 Y158 N159 F253 F256	M51-F155 HydrophobicContact CE-CE2 4.01Å; M51-F155 HydrophobicContact CE-CZ 4.41Å; M51-F155 HydrophobicContact SD-CE2 4.44Å; L151-F155 WeakPolarHBondContact O-CB 3.25Å; L151-F155 PolarHBondContact O-N 3.33Å; A152-F155 PolarHBondContact O-N 3.41Å; F153-F155 VanDerWaalsContact C-N 3.31Å; F153-F155 PolarHBondContact O-N 3.43Å; F155-Y158 PolarHBondContact O-N 3.36Å; F155-N159 HydrophobicContact CE1-CB 4.2Å; F155-N159 HydrophobicContact CZ-CB 4.25Å; F155-N159 VanDerWaalsContact O-CB 3.25Å; F155-N159 WeakPolarHBondContact O-CB 3.48Å; F155-N159 PolarHBondContact O-N 3.1Å; F155-F253 HydrophobicContact CE1-CD2 4.4Å; F155-F253 AromaticContact CE1-CE2 3.86Å; F155-F253 HydrophobicContact CE1-CE2 3.86Å; F155-F253 AromaticContact CZ-CD2 3.88Å; F155-F253 HydrophobicContact CZ-CD2 3.88Å; F155-F253 AromaticContact CZ-CE2 3.78Å; F155-F253 HydrophobicContact CZ-CE2 3.78Å; F155-F256 HydrophobicContact CD2-CD1 4.48Å; F155-F256 AromaticContact CD2-CE1 3.88Å; F155-F256 HydrophobicContact CD2-CE1 3.88Å; F155-F256 HydrophobicContact CD2-CZ 4.11Å; F155-F256 HydrophobicContact CE1-CD1 4.41Å; F155-F256 HydrophobicContact CE1-CE1 4.19Å; F155-F256 AromaticContact CE2-CD1 3.46Å; F155-F256 HydrophobicContact CE2-CD1 3.46Å; F155-F256 VanDerWaalsContact CE2-CD1 3.46Å; F155-F256 AromaticContact CE2-CE1 3.27Å; F155-F256 HydrophobicContact CE2-CE1 3.27Å; F155-F256 HydrophobicContact CE2-CE2 4.43Å; F155-F256 HydrophobicContact CE2-CG 4.13Å; F155-F256 AromaticContact CE2-CZ 3.81Å; F155-F256 HydrophobicContact CE2-CZ 3.81Å; F155-F256 AromaticContact CZ-CD1 3.41Å; F155-F256 HydrophobicContact CZ-CD1 3.41Å; F155-F256 VanDerWaalsContact CZ-CD1 3.41Å; F155-F256 AromaticContact CZ-CE1 3.45Å; F155-F256 HydrophobicContact CZ-CE1 3.45Å; F155-F256 VanDerWaalsContact CZ-CE1 3.45Å; F155-F256 HydrophobicContact CZ-CG 4.35Å; F155-F256 HydrophobicContact CZ-CZ 4.41Å
156	C	87.1	Confident	84.8	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.027	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-38.1	179.6	-72.4	0	0	0	0	112.7	Q90 P93 S94 A152 F153 G160	Q90-C156 WeakPolarHBondContact O-CB 3.39Å; Q90-C156 PolarHBondContact O-SG 3.45Å; P93-C156 HydrophobicContact CB-CB 4.44Å; S94-C156 VanDerWaalsContact OG-C 3.31Å; S94-C156 WeakPolarHBondContact OG-CA 3.05Å; S94-C156 WeakPolarHBondContact OG-CB 3.47Å; S94-C156 PolarHBondContact OG-O 2.88Å; A152-C156 WeakPolarHBondContact O-CB 3.22Å; A152-C156 PolarHBondContact O-N 2.82Å; A152-C156 PolarHBondContact O-SG 3.4Å; F153-C156 PolarHBondContact O-N 3.36Å; C156-G160 PolarHBondContact O-N 2.91Å
157	V	85.8	Confident	85.1	Confident	50 Å²	50	32.1 Å²	32.1	30%	0.303	18%	0.181	S	C	.	.	H	α-helix	trans	-61.1	-52.4	170.6	170.9	0	0	0	0	110	P93 L97 F153 A154 G160 Y161	P93-V157 HydrophobicContact CB-CB 4.29Å; P93-V157 HydrophobicContact CB-CG2 3.43Å; P93-V157 VanDerWaalsContact CB-CG2 3.43Å; P93-V157 HydrophobicContact CG-CG2 3.74Å; L97-V157 HydrophobicContact CD1-CB 4.06Å; L97-V157 HydrophobicContact CD1-CG1 3.77Å; L97-V157 HydrophobicContact CD1-CG2 4.1Å; F153-V157 HydrophobicContact CD1-CG2 4.21Å; F153-V157 HydrophobicContact CE1-CG2 3.83Å; F153-V157 HydrophobicContact CZ-CG2 4.16Å; F153-V157 WeakPolarHBondContact O-CG2 3.37Å; F153-V157 PolarHBondContact O-N 3.12Å; A154-V157 PolarHBondContact O-N 3.49Å; V157-G160 PolarHBondContact O-N 3.23Å; V157-Y161 WeakPolarHBondContact O-CB 3.49Å; V157-Y161 PolarHBondContact O-N 2.99Å
158	Y	87.4	Confident	85.2	Confident	55 Å²	55	29.7 Å²	29.7	22%	0.216	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-51.2	-176.9	176.3	-95.7	0	0	0	112.6	M47 M51 A154 F155 M162	M47-Y158 WeakPolarHBondContact CA-OH 3.13Å; M47-Y158 HydrophobicContact CB-CE2 3.92Å; M47-Y158 VanDerWaalsContact CB-OH 3.29Å; M47-Y158 WeakPolarHBondContact CB-OH 3.28Å; M47-Y158 HydrophobicContact CE-CD2 3.33Å; M47-Y158 HydrophobicContact CE-CE1 4.5Å; M47-Y158 HydrophobicContact CE-CE2 3.28Å; M47-Y158 HydrophobicContact CE-CG 4Å; M47-Y158 HydrophobicContact CG-CE2 3.71Å; M47-Y158 PolarHBondContact O-OH 3.48Å; M47-Y158 HydrophobicContact SD-CE2 4.31Å; M51-Y158 HydrophobicContact CB-CE1 4.33Å; M51-Y158 HydrophobicContact CE-CD1 3.7Å; M51-Y158 HydrophobicContact CE-CE1 3.42Å; M51-Y158 VanDerWaalsContact CE-CE1 3.42Å; A154-Y158 WeakPolarHBondContact O-CB 3.47Å; A154-Y158 PolarHBondContact O-N 3.47Å; F155-Y158 PolarHBondContact O-N 3.36Å; Y158-M162 VanDerWaalsContact O-CB 3.29Å; Y158-M162 WeakPolarHBondContact O-CB 3.42Å; Y158-M162 PolarHBondContact O-N 3.02Å
159	N	88.2	Confident	85.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-43.8	179.9	-174.2	54.5	0	0	0	111.6	M51 F155 Y161 M162 Q163 F253	M51-N159 HydrophobicContact CE-CB 4.28Å; F155-N159 HydrophobicContact CE1-CB 4.2Å; F155-N159 HydrophobicContact CZ-CB 4.25Å; F155-N159 VanDerWaalsContact O-CB 3.25Å; F155-N159 WeakPolarHBondContact O-CB 3.48Å; F155-N159 PolarHBondContact O-N 3.1Å; N159-Y161 PolarHBondContact O-N 2.8Å; N159-M162 PolarHBondContact O-N 3.46Å; N159-Q163 WeakPolarHBondContact O-CB 3.21Å; N159-Q163 WeakPolarHBondContact O-CG 3.5Å; N159-Q163 PolarHBondContact O-N 2.97Å; N159-Q163 WeakPolarHBondContact OD1-CG 3.46Å; N159-F253 WeakPolarHBondContact ND2-CE1 3.49Å; N159-F253 VanDerWaalsContact ND2-CE2 3.33Å; N159-F253 WeakPolarHBondContact ND2-CE2 3.01Å; N159-F253 VanDerWaalsContact ND2-CZ 3.31Å; N159-F253 WeakPolarHBondContact ND2-CZ 3.25Å; N159-F253 WeakPolarHBondContact OD1-CD2 3.31Å; N159-F253 WeakPolarHBondContact OD1-CG 3.43Å
160	G	85.6	Confident	85.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-44.9	179.1	0	0	0	0	0	112.4	C156 V157 V164	C156-G160 PolarHBondContact O-N 2.91Å; V157-G160 PolarHBondContact O-N 3.23Å; G160-V164 PolarHBondContact O-N 3.33Å
161	Y	86.3	Confident	85.2	Confident	36 Å²	36	28.7 Å²	28.7	14%	0.141	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-52	174.8	174.8	-101	0	0	0	111.3	L30 F34 E40 L44 M47 L101 V157 N159 Q163 R165	L30-Y161 HydrophobicContact CD2-CE2 4.06Å; F34-Y161 WeakPolarHBondContact CE2-OH 3.31Å; F34-Y161 HydrophobicContact CZ-CE1 4.5Å; F34-Y161 WeakPolarHBondContact CZ-OH 3.06Å; E40-Y161 PolarHBondContact OE1-OH 2.71Å; L44-Y161 HydrophobicContact CD2-CD1 4.34Å; L44-Y161 HydrophobicContact CD2-CE1 3.85Å; M47-Y161 HydrophobicContact CE-CD1 4.05Å; M47-Y161 HydrophobicContact SD-CD1 4.39Å; M47-Y161 HydrophobicContact SD-CE1 4.38Å; L101-Y161 HydrophobicContact CD1-CD2 4.05Å; V157-Y161 WeakPolarHBondContact O-CB 3.49Å; V157-Y161 PolarHBondContact O-N 2.99Å; N159-Y161 PolarHBondContact O-N 2.8Å; Y161-Q163 PolarHBondContact O-N 2.83Å; Y161-R165 HydrophobicContact CD2-CB 4.32Å; Y161-R165 HydrophobicContact CE2-CB 4.06Å; Y161-R165 HydrophobicContact CE2-CG 3.99Å; Y161-R165 WeakPolarHBondContact O-CB 3.31Å; Y161-R165 PolarHBondContact O-N 2.95Å
162	M	89.6	Confident	85.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-55.4	-48.9	-177.3	-175.8	-173.5	70.8	0	0	112.5	L44 M47 A48 M51 Y158 N159 Y166 H249	L44-M162 HydrophobicContact CD2-CG 4.46Å; M47-M162 HydrophobicContact CB-CG 4.37Å; M47-M162 HydrophobicContact CB-SD 4.02Å; M47-M162 HydrophobicContact CE-CB 3.95Å; A48-M162 HydrophobicContact CB-SD 4.22Å; M51-M162 HydrophobicContact CE-CE 3.47Å; M51-M162 VanDerWaalsContact CE-CE 3.47Å; M51-M162 HydrophobicContact CE-SD 4.19Å; M51-M162 HydrophobicContact SD-CE 4.08Å; Y158-M162 VanDerWaalsContact O-CB 3.29Å; Y158-M162 WeakPolarHBondContact O-CB 3.42Å; Y158-M162 PolarHBondContact O-N 3.02Å; N159-M162 PolarHBondContact O-N 3.46Å; M162-Y166 VanDerWaalsContact O-CB 3.24Å; M162-Y166 WeakPolarHBondContact O-CB 3.36Å; M162-Y166 PolarHBondContact O-N 3.39Å; M162-H249 HydrophobicContact CE-CB 4.14Å; M162-H249 HydrophobicContact CG-CB 4.24Å; M162-H249 HydrophobicContact SD-CB 4.37Å
163	Q	87.3	Confident	85.2	Confident	3 Å²	3	29.9 Å²	29.9	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-48.4	-173.9	-61.5	-71.1	57	0	0	112	F122 N159 Y161 L167 H249	F122-Q163 HydrophobicContact CE2-CB 4.09Å; F122-Q163 HydrophobicContact CE2-CG 4.04Å; F122-Q163 HydrophobicContact CZ-CB 4.41Å; N159-Q163 WeakPolarHBondContact O-CB 3.21Å; N159-Q163 WeakPolarHBondContact O-CG 3.5Å; N159-Q163 PolarHBondContact O-N 2.97Å; N159-Q163 WeakPolarHBondContact OD1-CG 3.46Å; Y161-Q163 PolarHBondContact O-N 2.83Å; Q163-L167 WeakPolarHBondContact O-CB 3.33Å; Q163-L167 VanDerWaalsContact O-CG 3.24Å; Q163-L167 WeakPolarHBondContact O-CG 3.42Å; Q163-L167 PolarHBondContact O-N 2.91Å; Q163-L167 VanDerWaalsContact O-N 3.1Å; Q163-H249 PolarHBondContact NE2-O 2.91Å; Q163-H249 PolarHBondContact OE1-O 3.24Å
164	V	85.5	Confident	85.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-78.8	-35.9	-173.9	176.5	0	0	0	0	111.5	P98 L101 V102 F122 G160 Y166 L167 T168	P98-V164 HydrophobicContact CB-CB 4.09Å; P98-V164 HydrophobicContact CB-CG1 4.11Å; P98-V164 HydrophobicContact CB-CG2 3.57Å; P98-V164 HydrophobicContact CG-CB 4.2Å; P98-V164 HydrophobicContact CG-CG2 3.61Å; L101-V164 HydrophobicContact CB-CG1 4.12Å; L101-V164 HydrophobicContact CD1-CB 4.33Å; L101-V164 HydrophobicContact CD1-CG1 4.32Å; V102-V164 HydrophobicContact CG2-CG1 4.08Å; F122-V164 HydrophobicContact CD1-CG2 4.18Å; F122-V164 HydrophobicContact CE1-CG2 4.35Å; G160-V164 PolarHBondContact O-N 3.33Å; V164-Y166 VanDerWaalsContact C-N 3.33Å; V164-Y166 PolarHBondContact O-N 3.48Å; V164-L167 PolarHBondContact O-N 3.44Å; V164-T168 HydrophobicContact CG1-CG2 3.89Å; V164-T168 WeakPolarHBondContact O-CB 3.23Å; V164-T168 WeakPolarHBondContact O-CG2 3.45Å; V164-T168 PolarHBondContact O-N 2.92Å; V164-T168 PolarHBondContact O-OG1 3.04Å
165	R	85.2	Confident	84.8	Confident	15 Å²	15	32.1 Å²	32.1	6%	0.057	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-42.7	173.9	-172.8	63.2	178.3	160.7	7.1	111.8	E40 L44 L101 Y161 T168 H169	E40-R165 VanDerWaalsContact CD-NE 3.29Å; E40-R165 IonicContact OE1-CZ 3.34Å; E40-R165 IonicContact OE1-NE 2.67Å; E40-R165 PolarHBondContact OE1-NE 3.27Å; E40-R165 IonicContact OE1-NH2 3.28Å; E40-R165 PolarHBondContact OE1-NH2 3.05Å; E40-R165 IonicContact OE2-CZ 3.43Å; E40-R165 IonicContact OE2-NE 3.31Å; E40-R165 PolarHBondContact OE2-NE 3.46Å; E40-R165 IonicContact OE2-NH2 2.75Å; E40-R165 PolarHBondContact OE2-NH2 2.71Å; L44-R165 HydrophobicContact CD1-CB 4.46Å; L44-R165 HydrophobicContact CD1-CG 4.06Å; L44-R165 HydrophobicContact CD2-CB 4.36Å; L44-R165 HydrophobicContact CD2-CG 4.44Å; L101-R165 HydrophobicContact CD1-CB 4.41Å; Y161-R165 HydrophobicContact CD2-CB 4.32Å; Y161-R165 HydrophobicContact CE2-CB 4.06Å; Y161-R165 HydrophobicContact CE2-CG 3.99Å; Y161-R165 WeakPolarHBondContact O-CB 3.31Å; Y161-R165 PolarHBondContact O-N 2.95Å; R165-T168 PolarHBondContact O-OG1 3.38Å; R165-H169 PolarHBondContact NH1-CD2 3.23Å; R165-H169 PolarHBondContact NH1-CE1 3.03Å; R165-H169 VanDerWaalsContact NH1-CE1 3.32Å; R165-H169 PolarHBondContact NH1-NE2 3.34Å; R165-H169 PolarHBondContact O-N 3.13Å
166	Y	85.9	Confident	84.7	Confident	42 Å²	42	34.3 Å²	34.3	17%	0.165	19%	0.185	C	C	.	.	I	π-helix	trans	-61	-46.9	174.4	-179.8	-99.8	0	0	0	111.6	L41 M162 V164 T168 Y170 A171 H249	L41-Y166 HydrophobicContact CD1-CD2 4.25Å; L41-Y166 HydrophobicContact CD1-CE2 4.21Å; M162-Y166 VanDerWaalsContact O-CB 3.24Å; M162-Y166 WeakPolarHBondContact O-CB 3.36Å; M162-Y166 PolarHBondContact O-N 3.39Å; V164-Y166 VanDerWaalsContact C-N 3.33Å; V164-Y166 PolarHBondContact O-N 3.48Å; Y166-T168 PolarHBondContact O-N 2.93Å; Y166-Y170 CarbonylContact O-C 3.54Å; Y166-Y170 PolarHBondContact O-N 2.68Å; Y166-A171 HydrophobicContact CD1-CB 4.13Å; Y166-A171 HydrophobicContact CE1-CB 3.84Å; Y166-A171 PolarHBondContact O-N 2.97Å; Y166-H249 AromaticContact CD1-ND1 3.79Å; Y166-H249 AromaticContact CD2-CE1 3.21Å; Y166-H249 WeakPolarHBondContact CD2-CE1 3.32Å; Y166-H249 AromaticContact CD2-ND1 3.25Å; Y166-H249 VanDerWaalsContact CD2-ND1 3.25Å; Y166-H249 WeakPolarHBondContact CD2-ND1 3.22Å; Y166-H249 AromaticContact CE1-ND1 3.96Å; Y166-H249 AromaticContact CE2-CE1 3.41Å; Y166-H249 VanDerWaalsContact CE2-CE1 3.41Å; Y166-H249 WeakPolarHBondContact CE2-CE1 3.43Å; Y166-H249 AromaticContact CE2-ND1 3.45Å; Y166-H249 WeakPolarHBondContact CE2-ND1 3.37Å; Y166-H249 AromaticContact CG-CE1 3.83Å; Y166-H249 AromaticContact CG-CG 3.97Å; Y166-H249 AromaticContact CG-ND1 3.43Å; Y166-H249 AromaticContact CZ-ND1 3.79Å
167	L	84.1	Confident	84.8	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.021	19%	0.185	C	C	.	.	I	π-helix	trans	-69	-30.6	-178	-71.2	172.1	0	0	0	114.4	N115 L118 I119 Q163 V164 A171 Y173 F241	N115-L167 PolarHBondContact ND2-O 2.65Å; L118-L167 HydrophobicContact CB-CD1 4.02Å; L118-L167 HydrophobicContact CB-CD2 4.21Å; L118-L167 HydrophobicContact CD1-CD2 3.84Å; I119-L167 HydrophobicContact CD1-CB 4.2Å; I119-L167 HydrophobicContact CG1-CB 3.97Å; I119-L167 HydrophobicContact CG1-CD1 4.08Å; Q163-L167 WeakPolarHBondContact O-CB 3.33Å; Q163-L167 VanDerWaalsContact O-CG 3.24Å; Q163-L167 WeakPolarHBondContact O-CG 3.42Å; Q163-L167 PolarHBondContact O-N 2.91Å; Q163-L167 VanDerWaalsContact O-N 3.1Å; V164-L167 PolarHBondContact O-N 3.44Å; L167-A171 HydrophobicContact CD2-CB 4.05Å; L167-Y173 HydrophobicContact CD2-CE2 4.47Å; L167-F241 HydrophobicContact CD1-CZ 4.07Å
168	T	82	Confident	84.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-86.2	-27.8	-177.4	53.8	0	0	0	0	113.8	V102 K109 T110 I119 V164 R165 Y166	V102-T168 HydrophobicContact CG2-CG2 4.07Å; K109-T168 WeakPolarHBondContact CB-O 3.36Å; K109-T168 PolarHBondContact N-O 3.14Å; T110-T168 WeakPolarHBondContact OG1-CG2 3.38Å; I119-T168 HydrophobicContact CD1-CG2 3.61Å; V164-T168 HydrophobicContact CG1-CG2 3.89Å; V164-T168 WeakPolarHBondContact O-CB 3.23Å; V164-T168 WeakPolarHBondContact O-CG2 3.45Å; V164-T168 PolarHBondContact O-N 2.92Å; V164-T168 PolarHBondContact O-OG1 3.04Å; R165-T168 PolarHBondContact O-OG1 3.38Å; Y166-T168 PolarHBondContact O-N 2.93Å
169	H	80.2	Confident	84.9	Confident	20 Å²	20	36.5 Å²	36.5	9%	0.093	20%	0.202	C	C	.	.	I	π-helix	trans	-115.4	-36.9	-175	-82.7	-103.6	0	0	0	115.4	T105 S106 R165	T105-H169 VanDerWaalsContact CG2-NE2 3.34Å; T105-H169 WeakPolarHBondContact CG2-NE2 3.48Å; S106-H169 PolarHBondContact O-CE1 2.97Å; S106-H169 PolarHBondContact O-NE2 2.96Å; R165-H169 PolarHBondContact NH1-CD2 3.23Å; R165-H169 PolarHBondContact NH1-CE1 3.03Å; R165-H169 VanDerWaalsContact NH1-CE1 3.32Å; R165-H169 PolarHBondContact NH1-NE2 3.34Å; R165-H169 PolarHBondContact O-N 3.13Å
170	Y	80.8	Confident	85	Confident	38 Å²	38	39 Å²	39	15%	0.149	21%	0.214	C	C	.	.	I	π-helix	trans	-115.8	-20.4	-165	-61	-74	0	0	0	114.4	E37 E40 L41 L44 Y166 E172	E37-Y170 HydrophobicContact CB-CE1 4.38Å; E37-Y170 PolarHBondContact O-OH 3.34Å; E37-Y170 VanDerWaalsContact O-OH 3.09Å; E40-Y170 WeakPolarHBondContact CB-OH 3.34Å; E40-Y170 HydrophobicContact CG-CE2 4.2Å; E40-Y170 PolarHBondContact OE2-OH 2.75Å; L41-Y170 HydrophobicContact CB-CD1 4.03Å; L41-Y170 HydrophobicContact CB-CE1 3.9Å; L41-Y170 HydrophobicContact CD1-CD1 3.97Å; L41-Y170 HydrophobicContact CD1-CD2 4.32Å; L41-Y170 HydrophobicContact CD1-CG 3.8Å; L41-Y170 HydrophobicContact CD2-CD1 4.23Å; L41-Y170 HydrophobicContact CG-CD1 4.3Å; L44-Y170 HydrophobicContact CD1-CD2 3.71Å; L44-Y170 HydrophobicContact CD1-CE2 3.75Å; Y166-Y170 CarbonylContact O-C 3.54Å; Y166-Y170 PolarHBondContact O-N 2.68Å; Y170-E172 PolarHBondContact O-N 3.25Å; Y170-E172 VanDerWaalsContact O-N 3.17Å
171	A	81.5	Confident	85.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	24%	0.241	C	C	.	.			trans	-75.2	108.5	-177.3	0	0	0	0	0	111.5	N115 Y166 L167 Y173	N115-A171 PolarHBondContact ND2-O 3.17Å; N115-A171 VanDerWaalsContact ND2-O 3.1Å; Y166-A171 HydrophobicContact CD1-CB 4.13Å; Y166-A171 HydrophobicContact CE1-CB 3.84Å; Y166-A171 PolarHBondContact O-N 2.97Å; L167-A171 HydrophobicContact CD2-CB 4.05Å; A171-Y173 HydrophobicContact CB-CD2 4.42Å; A171-Y173 HydrophobicContact CB-CE2 3.64Å
172	E	82.4	Confident	85.5	Confident	141 Å²	141	46.9 Å²	46.9	66%	0.659	26%	0.255	S	S	*	.			trans	-106.4	119.9	172.2	-62.4	-165.2	156.7	0	0	110.3	K109 Y170	K109-E172 WeakPolarHBondContact CE-OE1 3.35Å; K109-E172 IonicContact NZ-OE1 2.66Å; K109-E172 PolarHBondContact NZ-OE1 3.25Å; Y170-E172 PolarHBondContact O-N 3.25Å; Y170-E172 VanDerWaalsContact O-N 3.17Å
173	Y	84.4	Confident	85.6	Confident	36 Å²	36	47.1 Å²	47.1	14%	0.141	26%	0.256	C	S	.	.			trans	-115	147.9	176	-60.8	-81.6	0	0	0	110.4	P114 N115 L118 L167 A171 W177 G245	P114-Y173 HydrophobicContact CB-CD2 3.91Å; P114-Y173 HydrophobicContact CB-CG 4.17Å; N115-Y173 WeakPolarHBondContact OD1-CD2 3.17Å; N115-Y173 WeakPolarHBondContact OD1-CE2 3.42Å; L118-Y173 HydrophobicContact CD1-CE2 3.99Å; L118-Y173 VanDerWaalsContact CD1-OH 3.31Å; L118-Y173 WeakPolarHBondContact CD1-OH 3.31Å; L167-Y173 HydrophobicContact CD2-CE2 4.47Å; A171-Y173 HydrophobicContact CB-CD2 4.42Å; A171-Y173 HydrophobicContact CB-CE2 3.64Å; Y173-W177 AromaticContact CD1-CD1 3.29Å; Y173-W177 HydrophobicContact CD1-CD2 4.15Å; Y173-W177 AromaticContact CD1-CE2 3.88Å; Y173-W177 AromaticContact CD1-CG 3.83Å; Y173-W177 HydrophobicContact CD1-CG 3.83Å; Y173-W177 AromaticContact CD1-NE1 3.31Å; Y173-W177 VanDerWaalsContact CD1-NE1 3.31Å; Y173-W177 AromaticContact CE1-CD1 3.97Å; Y173-W177 AromaticContact CE1-NE1 3.6Å; Y173-W177 AromaticContact CG-CD1 3.69Å; Y173-W177 HydrophobicContact CG-CG 4.14Å; Y173-G245 WeakPolarHBondContact CE1-O 3.5Å; Y173-G245 WeakPolarHBondContact OH-CA 2.94Å; Y173-G245 PolarHBondContact OH-O 3.28Å
174	P	83.5	Confident	85.8	Confident	71 Å²	71	51.5 Å²	51.5	46%	0.461	28%	0.278	S	S	.	.			trans	-54.5	151.1	168.7	-25.7	35.2	0	0	0	112.2	D176 W177	P174-D176 WeakPolarHBondContact CB-OD1 3.01Å; P174-D176 PolarHBondContact O-N 2.99Å; P174-W177 HydrophobicContact CG-CE3 4.49Å; P174-W177 WeakPolarHBondContact O-CB 3.42Å; P174-W177 PolarHBondContact O-N 3.14Å
175	A	80.1	Confident	86.2	Confident	112 Å²	112	54.8 Å²	54.8	93%	0.926	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.7	-178.6	0	0	0	0	0	113.2
176	D	86.1	Confident	86.6	Confident	93 Å²	93	54 Å²	54	50%	0.497	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.4	176.9	65.5	-36.5	0	0	0	113.3	P174 V178 T179 H180	P174-D176 WeakPolarHBondContact CB-OD1 3.01Å; P174-D176 PolarHBondContact O-N 2.99Å; D176-V178 VanDerWaalsContact C-N 3.28Å; D176-V178 PolarHBondContact O-N 3.2Å; D176-T179 PolarHBondContact O-N 3.05Å; D176-T179 VanDerWaalsContact O-N 3.13Å; D176-T179 PolarHBondContact O-OG1 3.01Å; D176-H180 PolarHBondContact O-N 3.2Å
177	W	88.7	Confident	86.9	Confident	10 Å²	10	53.1 Å²	53.1	4%	0.038	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.1	-174.9	-168.3	-116.6	0	0	0	113.4	P114 Y173 P174 T179 H180 R182 F183 A244 R246	P114-W177 HydrophobicContact CG-CB 4.42Å; Y173-W177 AromaticContact CD1-CD1 3.29Å; Y173-W177 HydrophobicContact CD1-CD2 4.15Å; Y173-W177 AromaticContact CD1-CE2 3.88Å; Y173-W177 AromaticContact CD1-CG 3.83Å; Y173-W177 HydrophobicContact CD1-CG 3.83Å; Y173-W177 AromaticContact CD1-NE1 3.31Å; Y173-W177 VanDerWaalsContact CD1-NE1 3.31Å; Y173-W177 AromaticContact CE1-CD1 3.97Å; Y173-W177 AromaticContact CE1-NE1 3.6Å; Y173-W177 AromaticContact CG-CD1 3.69Å; Y173-W177 HydrophobicContact CG-CG 4.14Å; P174-W177 HydrophobicContact CG-CE3 4.49Å; P174-W177 WeakPolarHBondContact O-CB 3.42Å; P174-W177 PolarHBondContact O-N 3.14Å; W177-T179 VanDerWaalsContact C-N 3.28Å; W177-T179 PolarHBondContact O-N 3.24Å; W177-H180 HydrophobicContact CD2-CB 4.4Å; W177-H180 HydrophobicContact CE3-CB 3.85Å; W177-H180 AromaticContact CE3-CG 3.85Å; W177-H180 HydrophobicContact CZ3-CB 4.17Å; W177-H180 AromaticContact CZ3-CD2 3.96Å; W177-H180 AromaticContact CZ3-CG 3.69Å; W177-H180 AromaticContact CZ3-ND1 3.75Å; W177-H180 VanDerWaalsContact O-CB 3.25Å; W177-H180 WeakPolarHBondContact O-CB 3.18Å; W177-H180 PolarHBondContact O-N 3.48Å; W177-H180 VanDerWaalsContact O-N 3.14Å; W177-R182 HydrophobicContact CH2-CB 4.21Å; W177-F183 AromaticContact CD1-CD2 3.64Å; W177-F183 AromaticContact NE1-CD2 3.63Å; W177-F183 WeakPolarHBondContact O-CB 3.31Å; W177-A244 PolarHBondContact NE1-O 3.05Å; W177-R246 HydrophobicContact CH2-CB 4.49Å; W177-R246 HydrophobicContact CZ2-CB 3.95Å
178	V	85.8	Confident	87.5	Confident	41 Å²	41	55.1 Å²	55.1	25%	0.248	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.5	178.7	-175.3	0	0	0	0	112	L113 P114 L117 D176 F183	L113-V178 HydrophobicContact CD2-CG2 4.17Å; L113-V178 HydrophobicContact CG-CG2 4.24Å; P114-V178 HydrophobicContact CB-CG2 4.31Å; P114-V178 HydrophobicContact CG-CG2 3.72Å; L117-V178 HydrophobicContact CD1-CG1 4.02Å; L117-V178 HydrophobicContact CD1-CG2 4.38Å; D176-V178 VanDerWaalsContact C-N 3.28Å; D176-V178 PolarHBondContact O-N 3.2Å; V178-F183 HydrophobicContact CB-CD1 4.44Å; V178-F183 HydrophobicContact CB-CE1 4.46Å; V178-F183 HydrophobicContact CG1-CD1 4.22Å; V178-F183 HydrophobicContact CG1-CE1 3.99Å; V178-F183 WeakPolarHBondContact O-CD1 3.48Å
179	T	89	Confident	88.1	Confident	103 Å²	103	58.4 Å²	58.4	63%	0.632	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-9.7	177.2	53.6	0	0	0	0	112.5	D176 W177 I184	D176-T179 PolarHBondContact O-N 3.05Å; D176-T179 VanDerWaalsContact O-N 3.13Å; D176-T179 PolarHBondContact O-OG1 3.01Å; W177-T179 VanDerWaalsContact C-N 3.28Å; W177-T179 PolarHBondContact O-N 3.24Å; T179-I184 WeakPolarHBondContact O-CD1 3.39Å
180	H	91.3	Very high	88.8	Confident	52 Å²	52	58.3 Å²	58.3	24%	0.241	33%	0.328	C	S	.	.	S	Bend	trans	-63.3	135.3	178.8	-167.1	-79.5	0	0	0	110.4	D176 W177 R182 F183 I184	D176-H180 PolarHBondContact O-N 3.2Å; W177-H180 HydrophobicContact CD2-CB 4.4Å; W177-H180 HydrophobicContact CE3-CB 3.85Å; W177-H180 AromaticContact CE3-CG 3.85Å; W177-H180 HydrophobicContact CZ3-CB 4.17Å; W177-H180 AromaticContact CZ3-CD2 3.96Å; W177-H180 AromaticContact CZ3-CG 3.69Å; W177-H180 AromaticContact CZ3-ND1 3.75Å; W177-H180 VanDerWaalsContact O-CB 3.25Å; W177-H180 WeakPolarHBondContact O-CB 3.18Å; W177-H180 PolarHBondContact O-N 3.48Å; W177-H180 VanDerWaalsContact O-N 3.14Å; H180-R182 PolarHBondContact ND1-N 3.24Å; H180-R182 PolarHBondContact O-N 2.83Å; H180-F183 PolarHBondContact O-N 3.4Å; H180-I184 PolarHBondContact O-N 3.47Å
181	P	91.3	Very high	89.4	Confident	87 Å²	87	60.3 Å²	60.3	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-51.4	-40.3	-175.9	-30.3	34.4	0	0	0	113.6	F183 I184 T185	P181-F183 PolarHBondContact O-N 2.67Å; P181-I184 PolarHBondContact O-N 2.8Å; P181-T185 WeakPolarHBondContact O-CB 3.36Å; P181-T185 VanDerWaalsContact O-CG2 3.29Å; P181-T185 WeakPolarHBondContact O-CG2 3.3Å; P181-T185 PolarHBondContact O-N 3.4Å; P181-T185 PolarHBondContact O-OG1 3.2Å
182	R	90.9	Very high	90	Very high	116 Å²	116	64.6 Å²	64.6	44%	0.438	36%	0.363	S	S	.	.	H	α-helix	trans	-57.7	-46	177.6	-66.3	174.9	-176.7	155.6	-0.6	113	W177 H180 T185 G186 L243	W177-R182 HydrophobicContact CH2-CB 4.21Å; H180-R182 PolarHBondContact ND1-N 3.24Å; H180-R182 PolarHBondContact O-N 2.83Å; R182-T185 WeakPolarHBondContact CA-OG1 3.42Å; R182-T185 PolarHBondContact O-OG1 2.76Å; R182-G186 PolarHBondContact O-N 3.45Å; R182-L243 HydrophobicContact CB-CD1 4.46Å
183	F	91.3	Very high	90.4	Very high	5 Å²	5	57.9 Å²	57.9	2%	0.022	33%	0.332	C	S	.	.	H	α-helix	trans	-67.4	-43.1	180	-173.7	-90.3	0	0	0	111.1	L117 L118 W177 V178 H180 P181 G186 S187 A244	L117-F183 HydrophobicContact CB-CZ 3.92Å; L117-F183 HydrophobicContact CD1-CE1 3.85Å; L117-F183 HydrophobicContact CD1-CZ 3.8Å; L118-F183 HydrophobicContact CD1-CE2 4.46Å; L118-F183 HydrophobicContact CD2-CE2 4.17Å; L118-F183 HydrophobicContact CG-CE2 4.11Å; W177-F183 AromaticContact CD1-CD2 3.64Å; W177-F183 AromaticContact NE1-CD2 3.63Å; W177-F183 WeakPolarHBondContact O-CB 3.31Å; V178-F183 HydrophobicContact CB-CD1 4.44Å; V178-F183 HydrophobicContact CB-CE1 4.46Å; V178-F183 HydrophobicContact CG1-CD1 4.22Å; V178-F183 HydrophobicContact CG1-CE1 3.99Å; V178-F183 WeakPolarHBondContact O-CD1 3.48Å; H180-F183 PolarHBondContact O-N 3.4Å; P181-F183 PolarHBondContact O-N 2.67Å; F183-G186 PolarHBondContact O-N 3.06Å; F183-S187 WeakPolarHBondContact CE1-OG 3.44Å; F183-S187 VanDerWaalsContact O-CB 3.28Å; F183-S187 WeakPolarHBondContact O-CB 3.27Å; F183-S187 PolarHBondContact O-N 2.84Å; F183-S187 PolarHBondContact O-OG 3.39Å; F183-A244 HydrophobicContact CD2-CB 3.94Å; F183-A244 HydrophobicContact CE2-CB 4.2Å
184	I	92.7	Very high	90.7	Very high	94 Å²	94	57.4 Å²	57.4	48%	0.482	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-49.3	176.5	-61.5	174.9	0	0	0	110.5	T179 H180 P181 G186 S187 A188	T179-I184 WeakPolarHBondContact O-CD1 3.39Å; H180-I184 PolarHBondContact O-N 3.47Å; P181-I184 PolarHBondContact O-N 2.8Å; I184-G186 VanDerWaalsContact C-N 3.35Å; I184-G186 PolarHBondContact O-N 3.25Å; I184-S187 PolarHBondContact O-N 3.33Å; I184-A188 WeakPolarHBondContact O-CB 3.3Å; I184-A188 PolarHBondContact O-N 3.18Å
185	T	94.1	Very high	91.1	Very high	69 Å²	69	58.5 Å²	58.5	42%	0.423	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-40.5	178	54.9	0	0	0	0	111.9	P181 R182 A188 L189	P181-T185 WeakPolarHBondContact O-CB 3.36Å; P181-T185 VanDerWaalsContact O-CG2 3.29Å; P181-T185 WeakPolarHBondContact O-CG2 3.3Å; P181-T185 PolarHBondContact O-N 3.4Å; P181-T185 PolarHBondContact O-OG1 3.2Å; R182-T185 WeakPolarHBondContact CA-OG1 3.42Å; R182-T185 PolarHBondContact O-OG1 2.76Å; T185-A188 PolarHBondContact O-N 2.82Å; T185-L189 WeakPolarHBondContact O-CB 3.46Å; T185-L189 VanDerWaalsContact O-CG 3.25Å; T185-L189 WeakPolarHBondContact O-CG 3.31Å; T185-L189 PolarHBondContact O-N 3.19Å
186	G	93.5	Very high	91.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-43.7	177.7	0	0	0	0	0	112	R182 F183 I184 L189 W190 G240	R182-G186 PolarHBondContact O-N 3.45Å; F183-G186 PolarHBondContact O-N 3.06Å; I184-G186 VanDerWaalsContact C-N 3.35Å; I184-G186 PolarHBondContact O-N 3.25Å; G186-L189 PolarHBondContact O-N 3.02Å; G186-W190 WeakPolarHBondContact O-CB 3.09Å; G186-W190 PolarHBondContact O-N 3.06Å; G186-G240 CarbonylContact C-O 3.3Å; G186-G240 VanDerWaalsContact CA-O 3.25Å; G186-G240 WeakPolarHBondContact CA-O 3.28Å; G186-G240 CarbonylContact O-C 3.45Å; G186-G240 WeakPolarHBondContact O-CA 3.09Å
187	S	92.4	Very high	91.8	Very high	23 Å²	23	50.5 Å²	50.5	16%	0.161	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-41.2	176.1	-56.1	0	0	0	0	112	M121 F183 I184 W190 L191	M121-S187 VanDerWaalsContact CE-OG 3.3Å; M121-S187 WeakPolarHBondContact CE-OG 2.97Å; F183-S187 WeakPolarHBondContact CE1-OG 3.44Å; F183-S187 VanDerWaalsContact O-CB 3.28Å; F183-S187 WeakPolarHBondContact O-CB 3.27Å; F183-S187 PolarHBondContact O-N 2.84Å; F183-S187 PolarHBondContact O-OG 3.39Å; I184-S187 PolarHBondContact O-N 3.33Å; S187-W190 PolarHBondContact O-N 3.35Å; S187-L191 PolarHBondContact O-N 2.97Å
188	A	95	Very high	91.6	Very high	45 Å²	45	52 Å²	52	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-44.7	176.2	0	0	0	0	0	111.6	I184 T185 W190 L191 I192	I184-A188 WeakPolarHBondContact O-CB 3.3Å; I184-A188 PolarHBondContact O-N 3.18Å; T185-A188 PolarHBondContact O-N 2.82Å; A188-W190 VanDerWaalsContact C-N 3.33Å; A188-W190 PolarHBondContact O-N 3.26Å; A188-L191 PolarHBondContact O-N 3.46Å; A188-I192 WeakPolarHBondContact O-CB 3.49Å; A188-I192 WeakPolarHBondContact O-CD1 3.19Å; A188-I192 VanDerWaalsContact O-CG1 3.24Å; A188-I192 WeakPolarHBondContact O-CG1 3.09Å; A188-I192 PolarHBondContact O-N 3.23Å
189	L	94.8	Very high	91.8	Very high	70 Å²	70	54.5 Å²	54.5	37%	0.366	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-42.1	174.7	-74.3	172.4	0	0	0	111.7	T185 G186 I192 G193 T236 L243	T185-L189 WeakPolarHBondContact O-CB 3.46Å; T185-L189 VanDerWaalsContact O-CG 3.25Å; T185-L189 WeakPolarHBondContact O-CG 3.31Å; T185-L189 PolarHBondContact O-N 3.19Å; G186-L189 PolarHBondContact O-N 3.02Å; L189-I192 PolarHBondContact O-N 2.87Å; L189-G193 PolarHBondContact O-N 3.05Å; L189-T236 HydrophobicContact CD2-CG2 4.18Å; L189-L243 HydrophobicContact CD1-CD2 4.21Å
190	W	94.8	Very high	91.8	Very high	17 Å²	17	49.7 Å²	49.7	6%	0.064	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-52.3	174.9	179.9	83.4	0	0	0	110.9	M121 C124 H125 G186 S187 A188 I192 G193 W194 E237	M121-W190 HydrophobicContact CB-CD2 3.92Å; M121-W190 HydrophobicContact CB-CE3 4.3Å; M121-W190 HydrophobicContact CB-CG 4.48Å; M121-W190 HydrophobicContact CB-CH2 4.25Å; M121-W190 HydrophobicContact CB-CZ2 3.86Å; M121-W190 HydrophobicContact CB-CZ3 4.45Å; M121-W190 HydrophobicContact CG-CD2 3.8Å; M121-W190 HydrophobicContact CG-CE3 3.77Å; M121-W190 HydrophobicContact CG-CG 4.43Å; M121-W190 HydrophobicContact CG-CH2 4.3Å; M121-W190 HydrophobicContact CG-CZ2 4.32Å; M121-W190 HydrophobicContact CG-CZ3 4.02Å; M121-W190 WeakPolarHBondContact O-CZ2 3.36Å; M121-W190 HydrophobicContact SD-CD2 4.17Å; M121-W190 HydrophobicContact SD-CE3 4.32Å; M121-W190 HydrophobicContact SD-CG 4.24Å; C124-W190 HydrophobicContact CB-CH2 4.02Å; C124-W190 HydrophobicContact CB-CZ2 4.41Å; H125-W190 HydrophobicContact CB-CZ2 4.36Å; G186-W190 WeakPolarHBondContact O-CB 3.09Å; G186-W190 PolarHBondContact O-N 3.06Å; S187-W190 PolarHBondContact O-N 3.35Å; A188-W190 VanDerWaalsContact C-N 3.33Å; A188-W190 PolarHBondContact O-N 3.26Å; W190-I192 PolarHBondContact O-N 2.98Å; W190-G193 PolarHBondContact O-N 2.89Å; W190-W194 HydrophobicContact CH2-CD2 4.3Å; W190-W194 HydrophobicContact CH2-CG 4.3Å; W190-W194 HydrophobicContact CZ2-CG 4.3Å; W190-W194 VanDerWaalsContact O-CB 3.28Å; W190-W194 WeakPolarHBondContact O-CB 3.47Å; W190-W194 PolarHBondContact O-N 3.07Å; W190-E237 HydrophobicContact CG-CG 4.03Å; W190-E237 VanDerWaalsContact NE1-CG 3.31Å; W190-E237 PolarHBondContact NE1-OE1 3.34Å
191	L	93.8	Very high	91.6	Very high	80 Å²	80	47.5 Å²	47.5	42%	0.419	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-44.4	-179.6	-178	63.2	0	0	0	112.6	S187 A188 W194 L195	S187-L191 PolarHBondContact O-N 2.97Å; A188-L191 PolarHBondContact O-N 3.46Å; L191-W194 HydrophobicContact CD1-CE3 4.01Å; L191-W194 HydrophobicContact CD1-CZ3 4.34Å; L191-W194 PolarHBondContact O-N 3.28Å; L191-L195 HydrophobicContact CD1-CD1 4.25Å; L191-L195 HydrophobicContact CD1-CG 4.29Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 WeakPolarHBondContact O-CB 3.02Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.21Å
192	I	94	Very high	91.3	Very high	91 Å²	91	48.7 Å²	48.7	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-47.5	178.2	-69.2	164.7	0	0	0	110.3	A188 L189 W190 W194 L195 M196	A188-I192 WeakPolarHBondContact O-CB 3.49Å; A188-I192 WeakPolarHBondContact O-CD1 3.19Å; A188-I192 VanDerWaalsContact O-CG1 3.24Å; A188-I192 WeakPolarHBondContact O-CG1 3.09Å; A188-I192 PolarHBondContact O-N 3.23Å; L189-I192 PolarHBondContact O-N 2.87Å; W190-I192 PolarHBondContact O-N 2.98Å; I192-W194 PolarHBondContact O-N 3.39Å; I192-L195 PolarHBondContact O-N 3.18Å; I192-M196 HydrophobicContact CG2-CG 4.44Å; I192-M196 HydrophobicContact CG2-SD 3.78Å; I192-M196 WeakPolarHBondContact O-CB 3.25Å; I192-M196 VanDerWaalsContact O-CG 3.26Å; I192-M196 WeakPolarHBondContact O-CG 3.41Å; I192-M196 PolarHBondContact O-N 3.4Å
193	G	92.2	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-45.6	178.4	0	0	0	0	0	112.4	L189 W190 M196 N197 G233	L189-G193 PolarHBondContact O-N 3.05Å; W190-G193 PolarHBondContact O-N 2.89Å; G193-M196 WeakPolarHBondContact O-CB 3.48Å; G193-M196 PolarHBondContact O-N 3.36Å; G193-N197 WeakPolarHBondContact O-CB 3.32Å; G193-N197 PolarHBondContact O-N 3.29Å; G193-G233 CarbonylContact C-O 3.34Å; G193-G233 VanDerWaalsContact C-O 3.3Å; G193-G233 WeakPolarHBondContact CA-O 3.43Å; G193-G233 CarbonylContact O-C 3.45Å; G193-G233 VanDerWaalsContact O-CA 3.31Å; G193-G233 WeakPolarHBondContact O-CA 3.35Å
194	W	90.1	Very high	90.8	Very high	26 Å²	26	45.8 Å²	45.8	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-47.8	177.7	-178.1	71.9	0	0	0	112.4	Q128 S129 W190 L191 I192 M196 N197 I198 E237	Q128-W194 HydrophobicContact CB-CZ2 3.62Å; Q128-W194 HydrophobicContact CG-CH2 4.28Å; Q128-W194 HydrophobicContact CG-CZ2 3.53Å; S129-W194 PolarHBondContact OG-NE1 2.97Å; W190-W194 HydrophobicContact CH2-CD2 4.3Å; W190-W194 HydrophobicContact CH2-CG 4.3Å; W190-W194 HydrophobicContact CZ2-CG 4.3Å; W190-W194 VanDerWaalsContact O-CB 3.28Å; W190-W194 WeakPolarHBondContact O-CB 3.47Å; W190-W194 PolarHBondContact O-N 3.07Å; L191-W194 HydrophobicContact CD1-CE3 4.01Å; L191-W194 HydrophobicContact CD1-CZ3 4.34Å; L191-W194 PolarHBondContact O-N 3.28Å; I192-W194 PolarHBondContact O-N 3.39Å; W194-M196 PolarHBondContact O-N 3.49Å; W194-N197 PolarHBondContact O-N 3.43Å; W194-I198 HydrophobicContact CD2-CD1 3.66Å; W194-I198 HydrophobicContact CE3-CD1 4.09Å; W194-I198 HydrophobicContact CG-CD1 4.22Å; W194-I198 HydrophobicContact CH2-CD1 4.01Å; W194-I198 HydrophobicContact CZ2-CD1 3.56Å; W194-I198 HydrophobicContact CZ3-CD1 4.24Å; W194-I198 WeakPolarHBondContact O-CG1 2.96Å; W194-I198 PolarHBondContact O-N 2.99Å; W194-E237 HydrophobicContact CB-CG 4.22Å; W194-E237 VanDerWaalsContact CD1-OE1 3.3Å
195	L	91.1	Very high	90.2	Very high	94 Å²	94	43.1 Å²	43.1	49%	0.492	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-41.8	176.4	-70.7	174.6	0	0	0	112	L191 I192 N197 I198 H199	L191-L195 HydrophobicContact CD1-CD1 4.25Å; L191-L195 HydrophobicContact CD1-CG 4.29Å; L191-L195 HydrophobicContact CG-CD1 4.14Å; L191-L195 WeakPolarHBondContact O-CB 3.02Å; L191-L195 VanDerWaalsContact O-CG 3.28Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.21Å; I192-L195 PolarHBondContact O-N 3.18Å; L195-N197 VanDerWaalsContact C-N 3.34Å; L195-N197 PolarHBondContact O-N 3.17Å; L195-I198 PolarHBondContact O-N 3.31Å; L195-H199 VanDerWaalsContact O-CB 3.25Å; L195-H199 WeakPolarHBondContact O-CB 3.31Å; L195-H199 PolarHBondContact O-N 3.46Å
196	M	90.1	Very high	89.8	Confident	37 Å²	37	43.3 Å²	43.3	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-61.7	-41.6	175.4	-78.4	174.9	49.1	0	0	111.9	I192 G193 W194 S200 M222 L232	I192-M196 HydrophobicContact CG2-CG 4.44Å; I192-M196 HydrophobicContact CG2-SD 3.78Å; I192-M196 WeakPolarHBondContact O-CB 3.25Å; I192-M196 VanDerWaalsContact O-CG 3.26Å; I192-M196 WeakPolarHBondContact O-CG 3.41Å; I192-M196 PolarHBondContact O-N 3.4Å; G193-M196 WeakPolarHBondContact O-CB 3.48Å; G193-M196 PolarHBondContact O-N 3.36Å; W194-M196 PolarHBondContact O-N 3.49Å; M196-S200 VanDerWaalsContact O-CB 3.24Å; M196-S200 WeakPolarHBondContact O-CB 3.45Å; M196-S200 PolarHBondContact O-N 2.84Å; M196-S200 PolarHBondContact O-OG 2.9Å; M196-M222 HydrophobicContact CE-CE 4.03Å; M196-M222 HydrophobicContact CE-CG 4.07Å; M196-L232 HydrophobicContact CE-CD2 3.84Å; M196-L232 HydrophobicContact CE-CG 3.96Å
197	N	90.2	Very high	89.3	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-51.8	177.6	-179	-97.4	0	0	0	110.9	G193 W194 L195 H199 S200 D201 N230	G193-N197 WeakPolarHBondContact O-CB 3.32Å; G193-N197 PolarHBondContact O-N 3.29Å; W194-N197 PolarHBondContact O-N 3.43Å; L195-N197 VanDerWaalsContact C-N 3.34Å; L195-N197 PolarHBondContact O-N 3.17Å; N197-H199 PolarHBondContact O-N 3.2Å; N197-S200 PolarHBondContact O-N 3.48Å; N197-D201 PolarHBondContact O-N 3.35Å; N197-N230 PolarHBondContact ND2-O 3.19Å
198	I	86.4	Confident	88.6	Confident	41 Å²	41	46.1 Å²	46.1	21%	0.21	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-45.9	179.3	-69.1	169.6	0	0	0	111.6	Q128 W194 L195 S200 D201 H202	Q128-I198 HydrophobicContact CG-CD1 3.87Å; W194-I198 HydrophobicContact CD2-CD1 3.66Å; W194-I198 HydrophobicContact CE3-CD1 4.09Å; W194-I198 HydrophobicContact CG-CD1 4.22Å; W194-I198 HydrophobicContact CH2-CD1 4.01Å; W194-I198 HydrophobicContact CZ2-CD1 3.56Å; W194-I198 HydrophobicContact CZ3-CD1 4.24Å; W194-I198 WeakPolarHBondContact O-CG1 2.96Å; W194-I198 PolarHBondContact O-N 2.99Å; L195-I198 PolarHBondContact O-N 3.31Å; I198-S200 VanDerWaalsContact C-N 3.35Å; I198-D201 PolarHBondContact O-N 3.41Å; I198-H202 WeakPolarHBondContact O-CB 3.21Å; I198-H202 PolarHBondContact O-N 2.87Å
199	H	89.6	Confident	87.7	Confident	94 Å²	94	50.9 Å²	50.9	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-44.9	178.8	179.8	74.6	0	0	0	111.3	L195 N197 H202 I203	L195-H199 VanDerWaalsContact O-CB 3.25Å; L195-H199 WeakPolarHBondContact O-CB 3.31Å; L195-H199 PolarHBondContact O-N 3.46Å; N197-H199 PolarHBondContact O-N 3.2Å; H199-H202 WeakPolarHBondContact O-CB 3.1Å; H199-H202 PolarHBondContact O-N 3.49Å; H199-I203 WeakPolarHBondContact NE2-CD1 3.29Å; H199-I203 WeakPolarHBondContact O-CG1 3.44Å; H199-I203 PolarHBondContact O-N 3.04Å
200	S	88.8	Confident	86.5	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-42.8	179.7	-60.2	0	0	0	0	111.9	M196 N197 I198 H202 I203 L204 F223 A229	M196-S200 VanDerWaalsContact O-CB 3.24Å; M196-S200 WeakPolarHBondContact O-CB 3.45Å; M196-S200 PolarHBondContact O-N 2.84Å; M196-S200 PolarHBondContact O-OG 2.9Å; N197-S200 PolarHBondContact O-N 3.48Å; I198-S200 VanDerWaalsContact C-N 3.35Å; S200-H202 VanDerWaalsContact C-N 3.31Å; S200-H202 PolarHBondContact O-N 3.1Å; S200-I203 PolarHBondContact O-N 2.85Å; S200-L204 WeakPolarHBondContact O-CG 3.45Å; S200-L204 PolarHBondContact O-N 2.98Å; S200-F223 WeakPolarHBondContact O-CE2 3.4Å; S200-A229 WeakPolarHBondContact OG-CB 3.14Å
201	D	86.4	Confident	85.2	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-68.7	-31.1	176.3	-80.1	-10.8	0	0	0	112	Y134 N197 I198 L204 R205 N230	Y134-D201 HydrophobicContact CD2-CB 4.31Å; Y134-D201 HydrophobicContact CE2-CB 4.05Å; N197-D201 PolarHBondContact O-N 3.35Å; I198-D201 PolarHBondContact O-N 3.41Å; D201-L204 PolarHBondContact O-N 2.8Å; D201-R205 WeakPolarHBondContact O-CB 3.38Å; D201-R205 VanDerWaalsContact O-CG 3.24Å; D201-R205 WeakPolarHBondContact O-CG 3.21Å; D201-R205 PolarHBondContact O-N 3.43Å; D201-R205 PolarHBondContact O-NE 3.04Å; D201-N230 VanDerWaalsContact OD1-CB 3.31Å; D201-N230 WeakPolarHBondContact OD1-CB 3.17Å; D201-N230 PolarHBondContact OD1-ND2 2.88Å
202	H	85.5	Confident	84.3	Confident	112 Å²	112	55 Å²	55	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-46.6	169.5	-174.4	81.3	0	0	0	112	I198 H199 S200 R205 S206	I198-H202 WeakPolarHBondContact O-CB 3.21Å; I198-H202 PolarHBondContact O-N 2.87Å; H199-H202 WeakPolarHBondContact O-CB 3.1Å; H199-H202 PolarHBondContact O-N 3.49Å; S200-H202 VanDerWaalsContact C-N 3.31Å; S200-H202 PolarHBondContact O-N 3.1Å; H202-R205 PolarHBondContact O-N 2.98Å; H202-S206 PolarHBondContact O-N 3.38Å; H202-S206 PolarHBondContact O-OG 3.42Å
203	I	87.1	Confident	83.1	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-48.7	174.8	-67.3	169.4	0	0	0	110.5	H199 S200 R205 S206 L207 P218 R219 G220 F223	H199-I203 WeakPolarHBondContact NE2-CD1 3.29Å; H199-I203 WeakPolarHBondContact O-CG1 3.44Å; H199-I203 PolarHBondContact O-N 3.04Å; S200-I203 PolarHBondContact O-N 2.85Å; I203-R205 VanDerWaalsContact C-N 3.25Å; I203-R205 PolarHBondContact O-N 2.82Å; I203-S206 PolarHBondContact O-N 2.97Å; I203-S206 VanDerWaalsContact O-N 3.13Å; I203-S206 PolarHBondContact O-OG 3.3Å; I203-L207 WeakPolarHBondContact O-CG 3.25Å; I203-L207 PolarHBondContact O-N 2.82Å; I203-P218 HydrophobicContact CG2-CB 4.42Å; I203-R219 WeakPolarHBondContact CG2-O 3.19Å; I203-G220 WeakPolarHBondContact CD1-O 3.33Å; I203-F223 HydrophobicContact CB-CD2 4.25Å; I203-F223 HydrophobicContact CB-CE2 4.08Å; I203-F223 HydrophobicContact CD1-CD2 4.07Å; I203-F223 HydrophobicContact CD1-CE2 4.49Å; I203-F223 HydrophobicContact CG2-CD2 3.95Å; I203-F223 HydrophobicContact CG2-CE2 4.08Å
204	L	84.6	Confident	82.3	Confident	44 Å²	44	58.3 Å²	58.3	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-35.8	-179	-71.1	175.7	0	0	0	112.9	S200 D201 L207 P218 F223	S200-L204 WeakPolarHBondContact O-CG 3.45Å; S200-L204 PolarHBondContact O-N 2.98Å; D201-L204 PolarHBondContact O-N 2.8Å; L204-L207 HydrophobicContact CD2-CD1 4.13Å; L204-P218 HydrophobicContact CD2-CB 4.07Å; L204-P218 HydrophobicContact CD2-CG 4.41Å; L204-F223 HydrophobicContact CD1-CZ 3.87Å; L204-F223 HydrophobicContact CD2-CE1 4.27Å; L204-F223 HydrophobicContact CD2-CE2 4.36Å; L204-F223 HydrophobicContact CD2-CZ 3.78Å; L204-F223 HydrophobicContact CG-CE2 4.09Å; L204-F223 HydrophobicContact CG-CZ 3.63Å
205	R	80.8	Confident	81.9	Confident	38 Å²	38	59.7 Å²	59.7	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-71.8	-37.6	175.9	-72	174.9	-63	-160.1	2.2	112.5	D201 H202 I203 L207 R208	D201-R205 WeakPolarHBondContact O-CB 3.38Å; D201-R205 VanDerWaalsContact O-CG 3.24Å; D201-R205 WeakPolarHBondContact O-CG 3.21Å; D201-R205 PolarHBondContact O-N 3.43Å; D201-R205 PolarHBondContact O-NE 3.04Å; H202-R205 PolarHBondContact O-N 2.98Å; I203-R205 VanDerWaalsContact C-N 3.25Å; I203-R205 PolarHBondContact O-N 2.82Å; R205-L207 PolarHBondContact O-N 2.93Å; R205-R208 PolarHBondContact O-N 3.35Å
206	S	84.1	Confident	81.7	Confident	73 Å²	73	59.3 Å²	59.3	51%	0.51	33%	0.33	S	S	.	.	H	α-helix	trans	-71.6	-19.9	-179.4	70.6	0	0	0	0	113	H202 I203 R208	H202-S206 PolarHBondContact O-N 3.38Å; H202-S206 PolarHBondContact O-OG 3.42Å; I203-S206 PolarHBondContact O-N 2.97Å; I203-S206 VanDerWaalsContact O-N 3.13Å; I203-S206 PolarHBondContact O-OG 3.3Å; S206-R208 PolarHBondContact O-N 3.32Å
207	L	82.9	Confident	81.5	Confident	37 Å²	37	59 Å²	59	19%	0.194	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.3	174.1	-68	171.9	0	0	0	113.6	I203 L204 R205 K216 P218	I203-L207 WeakPolarHBondContact O-CG 3.25Å; I203-L207 PolarHBondContact O-N 2.82Å; L204-L207 HydrophobicContact CD2-CD1 4.13Å; R205-L207 PolarHBondContact O-N 2.93Å; L207-K216 HydrophobicContact CD2-CB 4.34Å; L207-K216 WeakPolarHBondContact O-CD 3.16Å; L207-K216 WeakPolarHBondContact O-CE 3.44Å; L207-K216 PolarHBondContact O-NZ 2.84Å; L207-P218 HydrophobicContact CD1-CB 3.87Å
208	R	78.8	Confident	81.4	Confident	45 Å²	45	59 Å²	59	17%	0.17	33%	0.328	C	S	.	.	S	Bend	trans	-111.6	126.2	-177.9	-67.4	179.8	179.3	163.7	-1	111.3	R139 R205 S206	R139-R208 HydrophobicContact CB-CB 4.37Å; R139-R208 WeakPolarHBondContact CD-O 3.24Å; R139-R208 VanDerWaalsContact O-CD 3.29Å; R139-R208 WeakPolarHBondContact O-CD 3.29Å; R139-R208 PolarHBondContact O-NH1 2.82Å; R205-R208 PolarHBondContact O-N 3.35Å; S206-R208 PolarHBondContact O-N 3.32Å
209	K	75.7	Confident	81.4	Confident	145 Å²	145	63.1 Å²	63.1	63%	0.63	34%	0.341	S	S	*	.			trans	-73.4	153.4	163.4	-62.9	-177.4	-179.3	178.4	0	109.5	G211 E212	K209-G211 PolarHBondContact O-N 3.18Å; K209-G211 VanDerWaalsContact O-N 3.17Å; K209-E212 HydrophobicContact CB-CG 4.08Å; K209-E212 PolarHBondContact N-OE2 3.09Å; K209-E212 PolarHBondContact O-N 2.87Å
210	P	69.9	Low	81.3	Confident	106 Å²	106	60 Å²	60	69%	0.688	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	123.1	173.9	-24.6	34.3	0	0	0	110.8
211	G	66.8	Low	81.3	Confident	80 Å²	80	61.9 Å²	61.9	83%	0.825	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-12.6	-177.8	0	0	0	0	0	116	K209	K209-G211 PolarHBondContact O-N 3.18Å; K209-G211 VanDerWaalsContact O-N 3.17Å
212	E	74.6	Confident	81.4	Confident	66 Å²	66	63.9 Å²	63.9	31%	0.308	36%	0.364	S	S	.	.			trans	-79	131	176.6	-72.8	-178.2	179.8	0	0	112.2	K209 K216	K209-E212 HydrophobicContact CB-CG 4.08Å; K209-E212 PolarHBondContact N-OE2 3.09Å; K209-E212 PolarHBondContact O-N 2.87Å; E212-K216 IonicContact OE1-NZ 2.9Å; E212-K216 IonicContact OE2-NZ 3.87Å; E212-K216 PolarHBondContact OE2-NZ 3.2Å
213	T	69.5	Low	81.6	Confident	121 Å²	121	58.6 Å²	58.6	74%	0.742	34%	0.339	S	S	*	.			trans	-105	-9.6	177.4	56.9	0	0	0	0	113.5
214	G	75.3	Confident	81.7	Confident	40 Å²	40	61 Å²	61	41%	0.412	35%	0.35	S	S	.	.			trans	-63.4	147.1	179.9	0	0	0	0	0	113.3
215	Y	82.2	Confident	82	Confident	56 Å²	56	63.2 Å²	63.2	22%	0.22	36%	0.358	C	S	.	.			trans	-91	141.6	169	-66.7	-77.9	0	0	0	109.5	R71 W271 F276	R71-Y215 VanDerWaalsContact CD-CE1 3.49Å; R71-Y215 HydrophobicContact CG-CE1 3.59Å; R71-Y215 WeakPolarHBondContact CG-OH 3.31Å; R71-Y215 VanDerWaalsContact CZ-CD1 3.41Å; R71-Y215 VanDerWaalsContact NE-CD1 3.28Å; Y215-W271 HydrophobicContact CD1-CH2 4.15Å; Y215-W271 AromaticContact CD2-CH2 3.58Å; Y215-W271 HydrophobicContact CD2-CH2 3.58Å; Y215-W271 AromaticContact CD2-CZ2 3.94Å; Y215-W271 HydrophobicContact CD2-CZ2 3.94Å; Y215-W271 HydrophobicContact CE2-CH2 4.31Å; Y215-W271 HydrophobicContact CE2-CZ2 4.33Å; Y215-W271 AromaticContact CG-CH2 3.49Å; Y215-W271 HydrophobicContact CG-CH2 3.49Å; Y215-W271 VanDerWaalsContact CG-CH2 3.49Å; Y215-W271 HydrophobicContact CG-CZ2 4.29Å; Y215-W271 HydrophobicContact CG-CZ3 4.21Å; Y215-F276 WeakPolarHBondContact O-CZ 3.4Å
216	K	85.8	Confident	82.5	Confident	85 Å²	85	61.4 Å²	61.4	37%	0.37	35%	0.351	S	S	.	.			trans	-128.8	160.6	175.6	-60.5	-179	-167.3	158.3	0	109.3	L207 E212 P218	L207-K216 HydrophobicContact CD2-CB 4.34Å; L207-K216 WeakPolarHBondContact O-CD 3.16Å; L207-K216 WeakPolarHBondContact O-CE 3.44Å; L207-K216 PolarHBondContact O-NZ 2.84Å; E212-K216 IonicContact OE1-NZ 2.9Å; E212-K216 IonicContact OE2-NZ 3.87Å; E212-K216 PolarHBondContact OE2-NZ 3.2Å; K216-P218 WeakPolarHBondContact O-CD 3.25Å
217	I	86.9	Confident	82.7	Confident	32 Å²	32	58.1 Å²	58.1	16%	0.164	33%	0.328	C	S	.	.			trans	-76.3	121.2	176.2	-58.6	174.4	0	0	0	108.3	F276 Y279	I217-F276 HydrophobicContact CD1-CB 3.92Å; I217-F276 HydrophobicContact CD1-CD1 4.23Å; I217-F276 HydrophobicContact CD1-CG 4.01Å; I217-F276 HydrophobicContact CG1-CB 4.23Å; I217-F276 HydrophobicContact CG1-CD1 4.01Å; I217-F276 HydrophobicContact CG1-CD2 3.98Å; I217-F276 HydrophobicContact CG1-CE1 4.35Å; I217-F276 HydrophobicContact CG1-CE2 4.32Å; I217-F276 HydrophobicContact CG1-CG 3.81Å; I217-F276 HydrophobicContact CG1-CZ 4.5Å; I217-Y279 HydrophobicContact CD1-CD2 4.2Å; I217-Y279 HydrophobicContact CG1-CD2 4.15Å; I217-Y279 HydrophobicContact CG2-CD2 3.98Å; I217-Y279 HydrophobicContact CG2-CE2 3.94Å
218	P	87.8	Confident	83	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.			trans	-67.1	134.7	174.4	27.2	-32.9	0	0	0	110.6	I203 L204 L207 K216 F223 R283	I203-P218 HydrophobicContact CG2-CB 4.42Å; L204-P218 HydrophobicContact CD2-CB 4.07Å; L204-P218 HydrophobicContact CD2-CG 4.41Å; L207-P218 HydrophobicContact CD1-CB 3.87Å; K216-P218 WeakPolarHBondContact O-CD 3.25Å; P218-F223 HydrophobicContact CB-CB 4.13Å; P218-F223 HydrophobicContact CB-CD1 3.76Å; P218-F223 HydrophobicContact CB-CD2 3.94Å; P218-F223 HydrophobicContact CB-CE1 4.09Å; P218-F223 HydrophobicContact CB-CE2 4.24Å; P218-F223 HydrophobicContact CB-CG 3.68Å; P218-F223 HydrophobicContact CB-CZ 4.33Å; P218-F223 HydrophobicContact CG-CB 4.44Å; P218-F223 HydrophobicContact CG-CD1 3.64Å; P218-F223 HydrophobicContact CG-CE1 3.99Å; P218-F223 HydrophobicContact CG-CG 4.04Å; P218-R283 PolarHBondContact O-NH1 3.41Å; P218-R283 PolarHBondContact O-NH2 3.11Å
219	R	87.3	Confident	83.5	Confident	128 Å²	128	54.2 Å²	54.2	48%	0.483	31%	0.311	S	S	.	.			trans	-130.2	147.9	178.1	-71.2	-76.3	-176.8	-175.8	10.1	109.2	I203 E224 P280	I203-R219 WeakPolarHBondContact CG2-O 3.19Å; R219-E224 VanDerWaalsContact CA-OE1 3.31Å; R219-E224 WeakPolarHBondContact CA-OE1 3.46Å; R219-E224 WeakPolarHBondContact CD-OE1 3.49Å; R219-E224 IonicContact NH1-OE2 2.92Å; R219-E224 PolarHBondContact NH1-OE2 3.45Å; R219-P280 VanDerWaalsContact NH2-CG 3.33Å
220	G	86.4	Confident	84.2	Confident	28 Å²	28	48.2 Å²	48.2	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	99.4	152.5	-178.8	0	0	0	0	0	114.7	I203 F223 E224	I203-G220 WeakPolarHBondContact CD1-O 3.33Å; G220-F223 WeakPolarHBondContact O-CB 3.4Å; G220-F223 PolarHBondContact O-N 3.18Å; G220-E224 PolarHBondContact N-OE1 3.1Å
221	G	89.6	Confident	85.2	Confident	40 Å²	40	43.5 Å²	43.5	41%	0.412	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	55	-137.7	179	0	0	0	0	0	112.9	F223 E224	G221-F223 PolarHBondContact O-N 3.46Å; G221-E224 PolarHBondContact O-N 3.18Å
222	M	88.5	Confident	86.4	Confident	49 Å²	49	40.7 Å²	40.7	24%	0.241	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68.5	-14.1	-179	-72	-64.3	-71.9	0	0	113.9	M196 E224 F225 V226 A229 L232 P288	M196-M222 HydrophobicContact CE-CE 4.03Å; M196-M222 HydrophobicContact CE-CG 4.07Å; M222-E224 PolarHBondContact O-N 2.69Å; M222-F225 PolarHBondContact O-N 2.98Å; M222-F225 VanDerWaalsContact O-N 3.11Å; M222-F225 HydrophobicContact SD-CD2 4.14Å; M222-V226 WeakPolarHBondContact O-CG2 3.24Å; M222-V226 PolarHBondContact O-N 3.35Å; M222-A229 HydrophobicContact CB-CB 3.75Å; M222-L232 HydrophobicContact CE-CD2 3.68Å; M222-P288 HydrophobicContact CE-CG 3.73Å
223	F	89.9	Confident	87.2	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-66.6	-18.7	175.6	-74.8	-69.4	0	0	0	113.4	S200 I203 L204 P218 G220 G221 F225 V226 S227 A229 R283	S200-F223 WeakPolarHBondContact O-CE2 3.4Å; I203-F223 HydrophobicContact CB-CD2 4.25Å; I203-F223 HydrophobicContact CB-CE2 4.08Å; I203-F223 HydrophobicContact CD1-CD2 4.07Å; I203-F223 HydrophobicContact CD1-CE2 4.49Å; I203-F223 HydrophobicContact CG2-CD2 3.95Å; I203-F223 HydrophobicContact CG2-CE2 4.08Å; L204-F223 HydrophobicContact CD1-CZ 3.87Å; L204-F223 HydrophobicContact CD2-CE1 4.27Å; L204-F223 HydrophobicContact CD2-CE2 4.36Å; L204-F223 HydrophobicContact CD2-CZ 3.78Å; L204-F223 HydrophobicContact CG-CE2 4.09Å; L204-F223 HydrophobicContact CG-CZ 3.63Å; P218-F223 HydrophobicContact CB-CB 4.13Å; P218-F223 HydrophobicContact CB-CD1 3.76Å; P218-F223 HydrophobicContact CB-CD2 3.94Å; P218-F223 HydrophobicContact CB-CE1 4.09Å; P218-F223 HydrophobicContact CB-CE2 4.24Å; P218-F223 HydrophobicContact CB-CG 3.68Å; P218-F223 HydrophobicContact CB-CZ 4.33Å; P218-F223 HydrophobicContact CG-CB 4.44Å; P218-F223 HydrophobicContact CG-CD1 3.64Å; P218-F223 HydrophobicContact CG-CE1 3.99Å; P218-F223 HydrophobicContact CG-CG 4.04Å; G220-F223 WeakPolarHBondContact O-CB 3.4Å; G220-F223 PolarHBondContact O-N 3.18Å; G221-F223 PolarHBondContact O-N 3.46Å; F223-F225 PolarHBondContact O-N 3.23Å; F223-V226 WeakPolarHBondContact CA-O 3.47Å; F223-S227 WeakPolarHBondContact CE1-O 3.14Å; F223-A229 HydrophobicContact CD1-CB 3.65Å; F223-A229 HydrophobicContact CD2-CB 4.06Å; F223-A229 HydrophobicContact CE1-CB 3.65Å; F223-A229 HydrophobicContact CE2-CB 4.07Å; F223-A229 HydrophobicContact CG-CB 3.85Å; F223-A229 HydrophobicContact CZ-CB 3.86Å; F223-R283 WeakPolarHBondContact O-CD 3.48Å; F223-R283 PolarHBondContact O-NE 3.32Å; F223-R283 PolarHBondContact O-NH1 3.35Å; F223-R283 PolarHBondContact O-NH2 2.92Å
224	E	88.9	Confident	88.2	Confident	68 Å²	68	32.1 Å²	32.1	32%	0.318	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-68.3	-24.4	173.5	-63.4	-50.5	146.8	0	0	112.9	R219 G220 G221 M222 R283	R219-E224 VanDerWaalsContact CA-OE1 3.31Å; R219-E224 WeakPolarHBondContact CA-OE1 3.46Å; R219-E224 WeakPolarHBondContact CD-OE1 3.49Å; R219-E224 IonicContact NH1-OE2 2.92Å; R219-E224 PolarHBondContact NH1-OE2 3.45Å; G220-E224 PolarHBondContact N-OE1 3.1Å; G221-E224 PolarHBondContact O-N 3.18Å; M222-E224 PolarHBondContact O-N 2.69Å; E224-R283 WeakPolarHBondContact O-CG 3.15Å; E224-R283 IonicContact OE1-NH2 3.84Å; E224-R283 PolarHBondContact OE1-NH2 3.28Å; E224-R283 IonicContact OE2-CZ 3.94Å; E224-R283 IonicContact OE2-NH2 3.58Å; E224-R283 PolarHBondContact OE2-NH2 3.34Å
225	F	89.5	Confident	89.1	Confident	89 Å²	89	31.2 Å²	31.2	39%	0.39	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-39.6	179.3	-54.1	-74.7	0	0	0	112.4	M222 F223 R283 K284 P288 F289	M222-F225 PolarHBondContact O-N 2.98Å; M222-F225 VanDerWaalsContact O-N 3.11Å; M222-F225 HydrophobicContact SD-CD2 4.14Å; F223-F225 PolarHBondContact O-N 3.23Å; F225-R283 WeakPolarHBondContact O-CA 3.45Å; F225-K284 PolarHBondContact O-N 3.5Å; F225-P288 HydrophobicContact CB-CB 4.1Å; F225-P288 HydrophobicContact CB-CG 4.43Å; F225-F289 AromaticContact CD1-CE1 3.91Å; F225-F289 HydrophobicContact CD1-CE1 3.91Å; F225-F289 HydrophobicContact CD1-CE2 4.15Å; F225-F289 AromaticContact CD1-CZ 3.43Å; F225-F289 HydrophobicContact CD1-CZ 3.43Å; F225-F289 VanDerWaalsContact CD1-CZ 3.43Å; F225-F289 HydrophobicContact CE1-CE1 4.23Å; F225-F289 HydrophobicContact CE1-CE2 4.47Å; F225-F289 AromaticContact CE1-CZ 3.59Å; F225-F289 HydrophobicContact CE1-CZ 3.59Å; F225-F289 HydrophobicContact CG-CZ 4.46Å
226	V	91.7	Very high	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-134.2	145.1	-171.6	-61.5	0	0	0	0	113.1	M222 F223 A229 L232 K284 L286 P288	M222-V226 WeakPolarHBondContact O-CG2 3.24Å; M222-V226 PolarHBondContact O-N 3.35Å; F223-V226 WeakPolarHBondContact CA-O 3.47Å; V226-A229 HydrophobicContact CG2-CB 3.99Å; V226-L232 HydrophobicContact CG2-CD2 4.21Å; V226-K284 CarbonylContact C-O 3.46Å; V226-K284 VanDerWaalsContact CA-O 3.23Å; V226-K284 WeakPolarHBondContact CA-O 3.32Å; V226-K284 HydrophobicContact CG1-CB 4.34Å; V226-L286 WeakPolarHBondContact CG1-O 3.39Å; V226-P288 HydrophobicContact CG1-CB 4.29Å; V226-P288 HydrophobicContact CG1-CG 3.85Å
227	S	88.9	Confident	90	Very high	4 Å²	4	26 Å²	26	3%	0.028	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.1	177.7	-57.8	0	0	0	0	113.2	F223 H269 Y279 K284	F223-S227 WeakPolarHBondContact CE1-O 3.14Å; S227-H269 PolarHBondContact OG-ND1 3.45Å; S227-Y279 WeakPolarHBondContact CB-OH 3.47Å; S227-Y279 PolarHBondContact OG-OH 2.8Å; S227-K284 PolarHBondContact N-O 3.45Å; S227-K284 PolarHBondContact OG-O 3.36Å
228	G	88.1	Confident	90.3	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	50.8	-179.1	0	0	0	0	0	113.1	N230 F231 L232 A285	G228-N230 VanDerWaalsContact C-N 3.3Å; G228-N230 PolarHBondContact O-N 3.01Å; G228-F231 WeakPolarHBondContact O-CB 3.44Å; G228-F231 PolarHBondContact O-N 3.33Å; G228-F231 VanDerWaalsContact O-N 3.1Å; G228-L232 PolarHBondContact O-N 2.96Å; G228-A285 PolarHBondContact N-O 3.36Å
229	A	90.4	Very high	90.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-58.9	-38	-176.2	0	0	0	0	0	113.8	S200 M222 F223 V226 L232 G233	S200-A229 WeakPolarHBondContact OG-CB 3.14Å; M222-A229 HydrophobicContact CB-CB 3.75Å; F223-A229 HydrophobicContact CD1-CB 3.65Å; F223-A229 HydrophobicContact CD2-CB 4.06Å; F223-A229 HydrophobicContact CE1-CB 3.65Å; F223-A229 HydrophobicContact CE2-CB 4.07Å; F223-A229 HydrophobicContact CG-CB 3.85Å; F223-A229 HydrophobicContact CZ-CB 3.86Å; V226-A229 HydrophobicContact CG2-CB 3.99Å; A229-L232 PolarHBondContact O-N 3.46Å; A229-G233 PolarHBondContact O-N 3.44Å; A229-G233 VanDerWaalsContact O-N 3.08Å
230	N	90.5	Very high	90.9	Very high	18 Å²	18	20.4 Å²	20.4	10%	0.096	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-39.1	175.3	61	-29	0	0	0	112.2	N197 D201 G228 G233 E234	N197-N230 PolarHBondContact ND2-O 3.19Å; D201-N230 VanDerWaalsContact OD1-CB 3.31Å; D201-N230 WeakPolarHBondContact OD1-CB 3.17Å; D201-N230 PolarHBondContact OD1-ND2 2.88Å; G228-N230 VanDerWaalsContact C-N 3.3Å; G228-N230 PolarHBondContact O-N 3.01Å; N230-G233 PolarHBondContact O-N 2.98Å; N230-E234 PolarHBondContact O-N 3.43Å; N230-E234 VanDerWaalsContact O-N 3.07Å
231	F	89.9	Confident	91.2	Very high	7 Å²	7	19.1 Å²	19.1	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-67.6	-39.9	176.1	-58.6	-30.3	0	0	0	112.2	G228 G233 E234 I235 L261 R264 A265 H268 L286	G228-F231 WeakPolarHBondContact O-CB 3.44Å; G228-F231 PolarHBondContact O-N 3.33Å; G228-F231 VanDerWaalsContact O-N 3.1Å; F231-G233 VanDerWaalsContact C-N 3.32Å; F231-G233 PolarHBondContact O-N 3.01Å; F231-E234 PolarHBondContact O-N 2.91Å; F231-I235 WeakPolarHBondContact O-CB 3.46Å; F231-I235 VanDerWaalsContact O-CG1 3.26Å; F231-I235 WeakPolarHBondContact O-CG1 3.21Å; F231-I235 PolarHBondContact O-N 2.85Å; F231-L261 HydrophobicContact CB-CB 4.16Å; F231-L261 HydrophobicContact CD1-CD2 3.81Å; F231-L261 HydrophobicContact CE1-CD2 4.16Å; F231-L261 HydrophobicContact CG-CB 4.42Å; F231-L261 HydrophobicContact CG-CD2 4.41Å; F231-R264 HydrophobicContact CE2-CB 4.17Å; F231-R264 HydrophobicContact CE2-CG 3.85Å; F231-R264 HydrophobicContact CZ-CG 3.91Å; F231-A265 HydrophobicContact CD2-CB 3.84Å; F231-H268 AromaticContact CE2-CD2 3.45Å; F231-H268 VanDerWaalsContact CE2-CD2 3.45Å; F231-H268 WeakPolarHBondContact CE2-CD2 3.34Å; F231-H268 AromaticContact CZ-CD2 3.77Å; F231-H268 AromaticContact CZ-NE2 3.87Å; F231-L286 HydrophobicContact CB-CD1 4.01Å
232	L	92.1	Very high	91.4	Very high	22 Å²	22	17.9 Å²	17.9	12%	0.115	10%	0.097	C	C	.	.	H	α-helix	trans	-60.3	-44.3	173.6	176.9	64.8	0	0	0	111.2	M196 M222 V226 G228 A229 E234 I235 T236 L286 P288	M196-L232 HydrophobicContact CE-CD2 3.84Å; M196-L232 HydrophobicContact CE-CG 3.96Å; M222-L232 HydrophobicContact CE-CD2 3.68Å; V226-L232 HydrophobicContact CG2-CD2 4.21Å; G228-L232 PolarHBondContact O-N 2.96Å; A229-L232 PolarHBondContact O-N 3.46Å; L232-E234 PolarHBondContact O-N 3.41Å; L232-I235 PolarHBondContact O-N 3.34Å; L232-T236 WeakPolarHBondContact O-CB 3.37Å; L232-T236 PolarHBondContact O-N 2.92Å; L232-T236 PolarHBondContact O-OG1 3.44Å; L232-L286 HydrophobicContact CB-CD1 4.16Å; L232-L286 WeakPolarHBondContact CD2-O 3.14Å; L232-P288 HydrophobicContact CD2-CG 4.17Å
233	G	91.3	Very high	91.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.1	-49	175.9	0	0	0	0	0	111.8	G193 A229 N230 F231 T236 E237	G193-G233 CarbonylContact C-O 3.34Å; G193-G233 VanDerWaalsContact C-O 3.3Å; G193-G233 WeakPolarHBondContact CA-O 3.43Å; G193-G233 CarbonylContact O-C 3.45Å; G193-G233 VanDerWaalsContact O-CA 3.31Å; G193-G233 WeakPolarHBondContact O-CA 3.35Å; A229-G233 PolarHBondContact O-N 3.44Å; A229-G233 VanDerWaalsContact O-N 3.08Å; N230-G233 PolarHBondContact O-N 2.98Å; F231-G233 VanDerWaalsContact C-N 3.32Å; F231-G233 PolarHBondContact O-N 3.01Å; G233-T236 WeakPolarHBondContact O-CB 3.47Å; G233-T236 PolarHBondContact O-N 3.18Å; G233-E237 WeakPolarHBondContact O-CB 3.21Å; G233-E237 PolarHBondContact O-N 3.1Å
234	E	91.1	Very high	91.6	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-67.7	-38.4	-178.9	-173.2	176.4	-178.3	0	0	113.6	R130 N230 F231 L232 T236 E237 W238 T257 L261	R130-E234 IonicContact CZ-OE1 2.92Å; R130-E234 IonicContact CZ-OE2 2.62Å; R130-E234 IonicContact NH1-OE1 2.96Å; R130-E234 PolarHBondContact NH1-OE1 3.17Å; R130-E234 IonicContact NH1-OE2 3.05Å; R130-E234 IonicContact NH2-OE1 3.34Å; R130-E234 PolarHBondContact NH2-OE1 3.27Å; R130-E234 IonicContact NH2-OE2 2.65Å; R130-E234 PolarHBondContact NH2-OE2 3.45Å; N230-E234 PolarHBondContact O-N 3.43Å; N230-E234 VanDerWaalsContact O-N 3.07Å; F231-E234 PolarHBondContact O-N 2.91Å; L232-E234 PolarHBondContact O-N 3.41Å; E234-T236 VanDerWaalsContact C-N 3.32Å; E234-T236 PolarHBondContact O-N 3.02Å; E234-E237 WeakPolarHBondContact O-CB 3.42Å; E234-E237 PolarHBondContact O-N 2.89Å; E234-W238 PolarHBondContact O-N 3.24Å; E234-T257 HydrophobicContact CG-CG2 4.24Å; E234-L261 HydrophobicContact CB-CD1 3.89Å; E234-L261 HydrophobicContact CG-CD1 3.75Å; E234-L261 VanDerWaalsContact OE2-CD1 3.24Å; E234-L261 WeakPolarHBondContact OE2-CD1 3.3Å
235	I	93.4	Very high	91.6	Very high	21 Å²	21	15.6 Å²	15.6	11%	0.108	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-44.8	173.5	-70.5	171.5	0	0	0	110.4	F231 L232 E237 W238 A239 T258 L261 L286	F231-I235 WeakPolarHBondContact O-CB 3.46Å; F231-I235 VanDerWaalsContact O-CG1 3.26Å; F231-I235 WeakPolarHBondContact O-CG1 3.21Å; F231-I235 PolarHBondContact O-N 2.85Å; L232-I235 PolarHBondContact O-N 3.34Å; I235-E237 VanDerWaalsContact C-N 3.29Å; I235-E237 PolarHBondContact O-N 3.19Å; I235-W238 PolarHBondContact O-N 2.8Å; I235-A239 VanDerWaalsContact O-CB 3.24Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 3.33Å; I235-T258 HydrophobicContact CD1-CG2 4.36Å; I235-T258 HydrophobicContact CG2-CG2 4.22Å; I235-L261 HydrophobicContact CD1-CB 3.97Å; I235-L261 HydrophobicContact CG1-CB 4.12Å; I235-L261 HydrophobicContact CG1-CD1 4.13Å; I235-L286 HydrophobicContact CD1-CD1 4.03Å; I235-L286 HydrophobicContact CD1-CD2 3.77Å; I235-L286 HydrophobicContact CD1-CG 4.41Å
236	T	94.1	Very high	91.6	Very high	32 Å²	32	19.5 Å²	19.5	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-39.7	178.1	-53.7	0	0	0	0	110.9	L189 L232 G233 E234 A239 G240	L189-T236 HydrophobicContact CD2-CG2 4.18Å; L232-T236 WeakPolarHBondContact O-CB 3.37Å; L232-T236 PolarHBondContact O-N 2.92Å; L232-T236 PolarHBondContact O-OG1 3.44Å; G233-T236 WeakPolarHBondContact O-CB 3.47Å; G233-T236 PolarHBondContact O-N 3.18Å; E234-T236 VanDerWaalsContact C-N 3.32Å; E234-T236 PolarHBondContact O-N 3.02Å; T236-A239 PolarHBondContact O-N 3.24Å; T236-G240 PolarHBondContact O-N 3Å
237	E	93.7	Very high	91.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.5	-54.4	178.3	-176	177.4	178.3	0	0	111.3	H125 W190 W194 G233 E234 I235 A239 G240 F241	H125-E237 WeakPolarHBondContact CB-OE1 3.27Å; H125-E237 IonicContact CE1-OE1 3.18Å; H125-E237 IonicContact CE1-OE2 3.33Å; H125-E237 PolarHBondContact CE1-OE2 2.97Å; H125-E237 IonicContact CG-OE1 3.45Å; H125-E237 IonicContact ND1-OE1 3.75Å; H125-E237 PolarHBondContact ND1-OE1 3.1Å; H125-E237 IonicContact ND1-OE2 2.68Å; H125-E237 PolarHBondContact ND1-OE2 3.27Å; W190-E237 HydrophobicContact CG-CG 4.03Å; W190-E237 VanDerWaalsContact NE1-CG 3.31Å; W190-E237 PolarHBondContact NE1-OE1 3.34Å; W194-E237 HydrophobicContact CB-CG 4.22Å; W194-E237 VanDerWaalsContact CD1-OE1 3.3Å; G233-E237 WeakPolarHBondContact O-CB 3.21Å; G233-E237 PolarHBondContact O-N 3.1Å; E234-E237 WeakPolarHBondContact O-CB 3.42Å; E234-E237 PolarHBondContact O-N 2.89Å; I235-E237 VanDerWaalsContact C-N 3.29Å; I235-E237 PolarHBondContact O-N 3.19Å; E237-A239 PolarHBondContact O-N 2.93Å; E237-G240 PolarHBondContact O-N 3.09Å; E237-F241 PolarHBondContact O-N 3.23Å
238	W	93.8	Very high	91.5	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-73.1	-27.7	-178.4	-64.2	119.3	0	0	0	113.5	F122 H125 Y126 E234 I235 F241 A242 F253 S254	F122-W238 AromaticContact CD2-CH2 3.9Å; F122-W238 HydrophobicContact CD2-CH2 3.9Å; F122-W238 AromaticContact CD2-CZ3 3.82Å; F122-W238 HydrophobicContact CD2-CZ3 3.82Å; F122-W238 HydrophobicContact CE2-CH2 4.07Å; F122-W238 HydrophobicContact CE2-CZ3 4.19Å; H125-W238 HydrophobicContact CB-CH2 4.2Å; H125-W238 HydrophobicContact CB-CZ2 4.45Å; H125-W238 AromaticContact CD2-CH2 3.91Å; H125-W238 AromaticContact CD2-CZ2 3.44Å; H125-W238 VanDerWaalsContact CD2-CZ2 3.44Å; H125-W238 WeakPolarHBondContact CD2-CZ2 3.4Å; H125-W238 AromaticContact CE1-CZ2 3.84Å; H125-W238 AromaticContact CG-CH2 3.94Å; H125-W238 AromaticContact CG-CZ2 3.71Å; H125-W238 AromaticContact ND1-CZ2 3.96Å; H125-W238 AromaticContact NE2-CZ2 3.56Å; Y126-W238 AromaticContact CE2-CH2 3.93Å; Y126-W238 HydrophobicContact CE2-CH2 3.93Å; Y126-W238 HydrophobicContact CE2-CZ2 4.22Å; E234-W238 PolarHBondContact O-N 3.24Å; I235-W238 PolarHBondContact O-N 2.8Å; W238-F241 HydrophobicContact CE3-CB 3.93Å; W238-F241 HydrophobicContact CE3-CD1 4.07Å; W238-F241 HydrophobicContact CE3-CG 4.02Å; W238-F241 HydrophobicContact CZ3-CB 4.46Å; W238-F241 HydrophobicContact CZ3-CD1 4.24Å; W238-F241 HydrophobicContact CZ3-CG 4.16Å; W238-F241 PolarHBondContact O-N 3.12Å; W238-A242 WeakPolarHBondContact O-CB 3.22Å; W238-A242 PolarHBondContact O-N 3.2Å; W238-F253 AromaticContact CD2-CD1 3.87Å; W238-F253 HydrophobicContact CD2-CD1 3.87Å; W238-F253 AromaticContact CD2-CE1 3.28Å; W238-F253 HydrophobicContact CD2-CE1 3.28Å; W238-F253 AromaticContact CD2-CZ 4Å; W238-F253 HydrophobicContact CD2-CZ 4Å; W238-F253 AromaticContact CE2-CE1 3.32Å; W238-F253 AromaticContact CE2-CZ 3.64Å; W238-F253 AromaticContact CE3-CD1 3.72Å; W238-F253 HydrophobicContact CE3-CD1 3.72Å; W238-F253 AromaticContact CE3-CE1 3.37Å; W238-F253 HydrophobicContact CE3-CE1 3.37Å; W238-F253 HydrophobicContact CE3-CZ 4.45Å; W238-F253 HydrophobicContact CG-CD1 4.37Å; W238-F253 AromaticContact CG-CE1 3.99Å; W238-F253 HydrophobicContact CG-CE1 3.99Å; W238-F253 HydrophobicContact CG-CZ 4.47Å; W238-F253 AromaticContact CH2-CE1 3.59Å; W238-F253 HydrophobicContact CH2-CE1 3.59Å; W238-F253 HydrophobicContact CH2-CZ 4.32Å; W238-F253 AromaticContact CZ2-CE1 3.47Å; W238-F253 HydrophobicContact CZ2-CE1 3.47Å; W238-F253 VanDerWaalsContact CZ2-CE1 3.47Å; W238-F253 AromaticContact CZ2-CZ 3.81Å; W238-F253 HydrophobicContact CZ2-CZ 3.81Å; W238-F253 HydrophobicContact CZ3-CD1 4.11Å; W238-F253 AromaticContact CZ3-CE1 3.54Å; W238-F253 HydrophobicContact CZ3-CE1 3.54Å; W238-F253 AromaticContact NE1-CE1 3.99Å; W238-F253 AromaticContact NE1-CZ 3.93Å; W238-S254 WeakPolarHBondContact O-CB 3.5Å; W238-S254 PolarHBondContact O-OG 3.44Å
239	A	94.2	Very high	91.6	Very high	40 Å²	40	21.4 Å²	21.4	33%	0.331	11%	0.114	S	C	.	.	H	α-helix	trans	-64.1	-41.7	168.9	0	0	0	0	0	111.4	I235 T236 E237 A242 L243 S254	I235-A239 VanDerWaalsContact O-CB 3.24Å; I235-A239 WeakPolarHBondContact O-CB 3.46Å; I235-A239 PolarHBondContact O-N 3.33Å; T236-A239 PolarHBondContact O-N 3.24Å; E237-A239 PolarHBondContact O-N 2.93Å; A239-A242 PolarHBondContact O-N 3.47Å; A239-L243 WeakPolarHBondContact O-CB 3.49Å; A239-L243 PolarHBondContact O-N 3.48Å; A239-S254 WeakPolarHBondContact CA-OG 3.43Å; A239-S254 PolarHBondContact N-OG 2.91Å
240	G	93.2	Very high	91.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-44.8	172.6	0	0	0	0	0	112.4	G186 T236 E237 A242 L243 A244	G186-G240 CarbonylContact C-O 3.3Å; G186-G240 VanDerWaalsContact CA-O 3.25Å; G186-G240 WeakPolarHBondContact CA-O 3.28Å; G186-G240 CarbonylContact O-C 3.45Å; G186-G240 WeakPolarHBondContact O-CA 3.09Å; T236-G240 PolarHBondContact O-N 3Å; E237-G240 PolarHBondContact O-N 3.09Å; G240-A242 PolarHBondContact O-N 3.33Å; G240-L243 PolarHBondContact O-N 3.33Å; G240-A244 PolarHBondContact O-N 2.95Å
241	F	93.2	Very high	91.8	Very high	2 Å²	2	22 Å²	22	1%	0.009	12%	0.122	C	C	.	.	H	α-helix	trans	-59.6	-45.2	175.1	-174.7	-101.4	0	0	0	112.5	L118 M121 F122 L167 E237 W238 L243 A244 G245	L118-F241 HydrophobicContact CB-CE2 4.2Å; L118-F241 HydrophobicContact CD2-CD2 4.23Å; L118-F241 HydrophobicContact CD2-CE2 4.07Å; L118-F241 WeakPolarHBondContact O-CE2 3.49Å; M121-F241 HydrophobicContact CB-CD2 4.42Å; F122-F241 HydrophobicContact CB-CE2 4.27Å; F122-F241 HydrophobicContact CB-CZ 4.41Å; F122-F241 HydrophobicContact CD2-CZ 4.17Å; L167-F241 HydrophobicContact CD1-CZ 4.07Å; E237-F241 PolarHBondContact O-N 3.23Å; W238-F241 HydrophobicContact CE3-CB 3.93Å; W238-F241 HydrophobicContact CE3-CD1 4.07Å; W238-F241 HydrophobicContact CE3-CG 4.02Å; W238-F241 HydrophobicContact CZ3-CB 4.46Å; W238-F241 HydrophobicContact CZ3-CD1 4.24Å; W238-F241 HydrophobicContact CZ3-CG 4.16Å; W238-F241 PolarHBondContact O-N 3.12Å; F241-L243 VanDerWaalsContact C-N 3.33Å; F241-L243 PolarHBondContact O-N 3.45Å; F241-A244 PolarHBondContact O-N 3.2Å; F241-G245 PolarHBondContact O-N 3.49Å
242	A	93.8	Very high	91.9	Very high	14 Å²	14	21.7 Å²	21.7	12%	0.116	12%	0.121	C	C	.	.	H	α-helix	trans	-63.7	-36.9	176.2	0	0	0	0	0	112.7	W238 A239 G240 R246 A251	W238-A242 WeakPolarHBondContact O-CB 3.22Å; W238-A242 PolarHBondContact O-N 3.2Å; A239-A242 PolarHBondContact O-N 3.47Å; G240-A242 PolarHBondContact O-N 3.33Å; A242-R246 WeakPolarHBondContact O-CA 3.43Å; A242-R246 PolarHBondContact O-N 3.42Å; A242-A251 HydrophobicContact CB-CB 4.41Å
243	L	92.8	Very high	92	Very high	68 Å²	68	21 Å²	21	36%	0.356	12%	0.117	S	C	.	.	H	α-helix	trans	-68.3	-39.3	176.5	-176	61.1	0	0	0	112.2	R182 L189 A239 G240 F241	R182-L243 HydrophobicContact CB-CD1 4.46Å; L189-L243 HydrophobicContact CD1-CD2 4.21Å; A239-L243 WeakPolarHBondContact O-CB 3.49Å; A239-L243 PolarHBondContact O-N 3.48Å; G240-L243 PolarHBondContact O-N 3.33Å; F241-L243 VanDerWaalsContact C-N 3.33Å; F241-L243 PolarHBondContact O-N 3.45Å
244	A	90.1	Very high	92.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-74	-40.8	178.1	0	0	0	0	0	112.5	L118 W177 F183 G240 F241	L118-A244 HydrophobicContact CD2-CB 3.72Å; W177-A244 PolarHBondContact NE1-O 3.05Å; F183-A244 HydrophobicContact CD2-CB 3.94Å; F183-A244 HydrophobicContact CE2-CB 4.2Å; G240-A244 PolarHBondContact O-N 2.95Å; F241-A244 PolarHBondContact O-N 3.2Å
245	G	86.9	Confident	92.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-80.4	-20.4	179.6	0	0	0	0	0	114.7	Y173 F241 S247	Y173-G245 WeakPolarHBondContact CE1-O 3.5Å; Y173-G245 WeakPolarHBondContact OH-CA 2.94Å; Y173-G245 PolarHBondContact OH-O 3.28Å; F241-G245 PolarHBondContact O-N 3.49Å; G245-S247 PolarHBondContact O-N 2.97Å
246	R	90.1	Very high	92.2	Very high	172 Å²	172	25 Å²	25	65%	0.649	14%	0.14	S	C	*	.			trans	40.4	45.6	176	-160.1	-159.9	176.8	-145	-4.5	113.6	W177 A242	W177-R246 HydrophobicContact CH2-CB 4.49Å; W177-R246 HydrophobicContact CZ2-CB 3.95Å; A242-R246 WeakPolarHBondContact O-CA 3.43Å; A242-R246 PolarHBondContact O-N 3.42Å
247	S	88.8	Confident	92	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.07	13%	0.134	C	C	.	.	S	Bend	trans	-126.9	152.2	-177.1	71.1	0	0	0	0	111.2	G245 H249 S250 A251	G245-S247 PolarHBondContact O-N 2.97Å; S247-H249 PolarHBondContact O-N 3.17Å; S247-S250 PolarHBondContact N-OG 2.92Å; S247-S250 PolarHBondContact O-N 3.34Å; S247-S250 PolarHBondContact O-OG 3.13Å; S247-S250 VanDerWaalsContact O-OG 3.06Å; S247-S250 VanDerWaalsContact OG-CB 3.31Å; S247-S250 WeakPolarHBondContact OG-CB 3.45Å; S247-S250 PolarHBondContact OG-N 2.9Å; S247-S250 PolarHBondContact OG-OG 2.98Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.17Å
248	A	89.5	Confident	92	Very high	34 Å²	34	26.2 Å²	26.2	28%	0.281	15%	0.148	S	C	.	.	H	α-helix	trans	-58.3	-38.4	175.1	0	0	0	0	0	111.2	A48 Y52 A252	A48-A248 HydrophobicContact CB-CB 4.37Å; Y52-A248 PolarHBondContact OH-O 3.49Å; A248-A252 VanDerWaalsContact O-CB 3.23Å; A248-A252 WeakPolarHBondContact O-CB 3.26Å; A248-A252 PolarHBondContact O-N 2.97Å
249	H	91.6	Very high	91.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-50	177.2	-48.7	90.3	0	0	0	113	L44 D45 M162 Q163 Y166 S247 A252 F253	L44-H249 WeakPolarHBondContact CB-NE2 3.02Å; L44-H249 PolarHBondContact O-CD2 3.41Å; L44-H249 PolarHBondContact O-NE2 3.05Å; D45-H249 PolarHBondContact N-NE2 2.92Å; D45-H249 IonicContact OD1-CE1 2.76Å; D45-H249 PolarHBondContact OD1-CE1 3.39Å; D45-H249 IonicContact OD1-NE2 3.42Å; D45-H249 PolarHBondContact OD1-NE2 3.2Å; M162-H249 HydrophobicContact CE-CB 4.14Å; M162-H249 HydrophobicContact CG-CB 4.24Å; M162-H249 HydrophobicContact SD-CB 4.37Å; Q163-H249 PolarHBondContact NE2-O 2.91Å; Q163-H249 PolarHBondContact OE1-O 3.24Å; Y166-H249 AromaticContact CD1-ND1 3.79Å; Y166-H249 AromaticContact CD2-CE1 3.21Å; Y166-H249 WeakPolarHBondContact CD2-CE1 3.32Å; Y166-H249 AromaticContact CD2-ND1 3.25Å; Y166-H249 VanDerWaalsContact CD2-ND1 3.25Å; Y166-H249 WeakPolarHBondContact CD2-ND1 3.22Å; Y166-H249 AromaticContact CE1-ND1 3.96Å; Y166-H249 AromaticContact CE2-CE1 3.41Å; Y166-H249 VanDerWaalsContact CE2-CE1 3.41Å; Y166-H249 WeakPolarHBondContact CE2-CE1 3.43Å; Y166-H249 AromaticContact CE2-ND1 3.45Å; Y166-H249 WeakPolarHBondContact CE2-ND1 3.37Å; Y166-H249 AromaticContact CG-CE1 3.83Å; Y166-H249 AromaticContact CG-CG 3.97Å; Y166-H249 AromaticContact CG-ND1 3.43Å; Y166-H249 AromaticContact CZ-ND1 3.79Å; S247-H249 PolarHBondContact O-N 3.17Å; H249-A252 PolarHBondContact O-N 3.24Å; H249-F253 PolarHBondContact O-N 3.46Å
250	S	91.6	Very high	91.6	Very high	2 Å²	2	26 Å²	26	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-40.1	179.2	59.4	0	0	0	0	112.2	S247 F253 S254	S247-S250 PolarHBondContact N-OG 2.92Å; S247-S250 PolarHBondContact O-N 3.34Å; S247-S250 PolarHBondContact O-OG 3.13Å; S247-S250 VanDerWaalsContact O-OG 3.06Å; S247-S250 VanDerWaalsContact OG-CB 3.31Å; S247-S250 WeakPolarHBondContact OG-CB 3.45Å; S247-S250 PolarHBondContact OG-N 2.9Å; S247-S250 PolarHBondContact OG-OG 2.98Å; S250-F253 PolarHBondContact O-N 3.37Å; S250-S254 PolarHBondContact O-N 3.47Å; S250-S254 VanDerWaalsContact O-N 3.1Å
251	A	93.3	Very high	91.4	Very high	30 Å²	30	26.6 Å²	26.6	25%	0.248	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-38.8	175	0	0	0	0	0	112.7	Y52 A242 S247 F253 S254 V255	Y52-A251 VanDerWaalsContact OH-C 3.25Å; Y52-A251 WeakPolarHBondContact OH-CB 3.34Å; A242-A251 HydrophobicContact CB-CB 4.41Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.17Å; A251-F253 VanDerWaalsContact C-N 3.31Å; A251-F253 PolarHBondContact O-N 2.98Å; A251-S254 PolarHBondContact O-N 3.49Å; A251-V255 WeakPolarHBondContact O-CG2 3.45Å; A251-V255 PolarHBondContact O-N 2.66Å
252	A	92.3	Very high	91.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-44.5	176.6	0	0	0	0	0	111.2	A48 M51 Y52 A248 H249 V255 F256	A48-A252 HydrophobicContact CB-CB 4.19Å; A48-A252 WeakPolarHBondContact O-CB 3.46Å; M51-A252 HydrophobicContact CB-CB 4.15Å; M51-A252 HydrophobicContact CG-CB 4.33Å; M51-A252 HydrophobicContact SD-CB 4.06Å; Y52-A252 HydrophobicContact CD1-CB 4.47Å; Y52-A252 HydrophobicContact CD2-CB 3.9Å; Y52-A252 HydrophobicContact CE1-CB 4.21Å; Y52-A252 HydrophobicContact CE2-CB 3.6Å; Y52-A252 HydrophobicContact CG-CB 4.33Å; Y52-A252 VanDerWaalsContact CZ-CA 3.43Å; Y52-A252 PolarHBondContact OH-N 3.37Å; Y52-A252 VanDerWaalsContact OH-N 3.12Å; A248-A252 VanDerWaalsContact O-CB 3.23Å; A248-A252 WeakPolarHBondContact O-CB 3.26Å; A248-A252 PolarHBondContact O-N 2.97Å; H249-A252 PolarHBondContact O-N 3.24Å; A252-V255 PolarHBondContact O-N 3.29Å; A252-F256 WeakPolarHBondContact O-CB 3.25Å; A252-F256 PolarHBondContact O-N 3.44Å
253	F	92.8	Very high	91	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.4	-179	-136.2	0	0	0	112.9	M51 F122 F155 N159 W238 H249 S250 A251 F256 T257	M51-F253 VanDerWaalsContact SD-CA 3.54Å; M51-F253 HydrophobicContact SD-CB 4.09Å; M51-F253 HydrophobicContact SD-CD2 4.5Å; F122-F253 HydrophobicContact CE2-CE1 4.43Å; F155-F253 HydrophobicContact CE1-CD2 4.4Å; F155-F253 AromaticContact CE1-CE2 3.86Å; F155-F253 HydrophobicContact CE1-CE2 3.86Å; F155-F253 AromaticContact CZ-CD2 3.88Å; F155-F253 HydrophobicContact CZ-CD2 3.88Å; F155-F253 AromaticContact CZ-CE2 3.78Å; F155-F253 HydrophobicContact CZ-CE2 3.78Å; N159-F253 WeakPolarHBondContact ND2-CE1 3.49Å; N159-F253 VanDerWaalsContact ND2-CE2 3.33Å; N159-F253 WeakPolarHBondContact ND2-CE2 3.01Å; N159-F253 VanDerWaalsContact ND2-CZ 3.31Å; N159-F253 WeakPolarHBondContact ND2-CZ 3.25Å; N159-F253 WeakPolarHBondContact OD1-CD2 3.31Å; N159-F253 WeakPolarHBondContact OD1-CG 3.43Å; W238-F253 AromaticContact CD2-CD1 3.87Å; W238-F253 HydrophobicContact CD2-CD1 3.87Å; W238-F253 AromaticContact CD2-CE1 3.28Å; W238-F253 HydrophobicContact CD2-CE1 3.28Å; W238-F253 AromaticContact CD2-CZ 4Å; W238-F253 HydrophobicContact CD2-CZ 4Å; W238-F253 AromaticContact CE2-CE1 3.32Å; W238-F253 AromaticContact CE2-CZ 3.64Å; W238-F253 AromaticContact CE3-CD1 3.72Å; W238-F253 HydrophobicContact CE3-CD1 3.72Å; W238-F253 AromaticContact CE3-CE1 3.37Å; W238-F253 HydrophobicContact CE3-CE1 3.37Å; W238-F253 HydrophobicContact CE3-CZ 4.45Å; W238-F253 HydrophobicContact CG-CD1 4.37Å; W238-F253 AromaticContact CG-CE1 3.99Å; W238-F253 HydrophobicContact CG-CE1 3.99Å; W238-F253 HydrophobicContact CG-CZ 4.47Å; W238-F253 AromaticContact CH2-CE1 3.59Å; W238-F253 HydrophobicContact CH2-CE1 3.59Å; W238-F253 HydrophobicContact CH2-CZ 4.32Å; W238-F253 AromaticContact CZ2-CE1 3.47Å; W238-F253 HydrophobicContact CZ2-CE1 3.47Å; W238-F253 VanDerWaalsContact CZ2-CE1 3.47Å; W238-F253 AromaticContact CZ2-CZ 3.81Å; W238-F253 HydrophobicContact CZ2-CZ 3.81Å; W238-F253 HydrophobicContact CZ3-CD1 4.11Å; W238-F253 AromaticContact CZ3-CE1 3.54Å; W238-F253 HydrophobicContact CZ3-CE1 3.54Å; W238-F253 AromaticContact NE1-CE1 3.99Å; W238-F253 AromaticContact NE1-CZ 3.93Å; H249-F253 PolarHBondContact O-N 3.46Å; S250-F253 PolarHBondContact O-N 3.37Å; A251-F253 VanDerWaalsContact C-N 3.31Å; A251-F253 PolarHBondContact O-N 2.98Å; F253-F256 PolarHBondContact O-N 2.9Å; F253-T257 VanDerWaalsContact CE2-OG1 3.25Å; F253-T257 WeakPolarHBondContact CE2-OG1 3.28Å; F253-T257 VanDerWaalsContact O-CB 3.29Å; F253-T257 WeakPolarHBondContact O-CB 3.22Å; F253-T257 PolarHBondContact O-N 3.24Å; F253-T257 PolarHBondContact O-OG1 3.46Å
254	S	94	Very high	90.6	Very high	13 Å²	13	26.2 Å²	26.2	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-45	175.2	-179	0	0	0	0	112.2	W238 A239 S250 A251 T257 T258	W238-S254 WeakPolarHBondContact O-CB 3.5Å; W238-S254 PolarHBondContact O-OG 3.44Å; A239-S254 WeakPolarHBondContact CA-OG 3.43Å; A239-S254 PolarHBondContact N-OG 2.91Å; S250-S254 PolarHBondContact O-N 3.47Å; S250-S254 VanDerWaalsContact O-N 3.1Å; A251-S254 PolarHBondContact O-N 3.49Å; S254-T257 PolarHBondContact O-N 2.97Å; S254-T258 WeakPolarHBondContact O-CB 3.37Å; S254-T258 PolarHBondContact O-N 3.28Å; S254-T258 PolarHBondContact O-OG1 3.49Å
255	V	93.6	Very high	90.6	Very high	68 Å²	68	26.2 Å²	26.2	41%	0.412	14%	0.143	S	C	.	.	H	α-helix	trans	-66.5	-45.3	178.6	170.1	0	0	0	0	111.4	Y52 A55 A251 A252 T257 T258 A259	Y52-V255 HydrophobicContact CD1-CB 4.18Å; Y52-V255 HydrophobicContact CD1-CG1 4.1Å; Y52-V255 HydrophobicContact CE1-CB 3.91Å; Y52-V255 HydrophobicContact CE1-CG1 4.26Å; Y52-V255 HydrophobicContact CE1-CG2 3.86Å; A55-V255 HydrophobicContact CB-CG1 4.22Å; A251-V255 WeakPolarHBondContact O-CG2 3.45Å; A251-V255 PolarHBondContact O-N 2.66Å; A252-V255 PolarHBondContact O-N 3.29Å; V255-T257 PolarHBondContact O-N 3.48Å; V255-T258 PolarHBondContact O-N 2.9Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 3.18Å
256	F	92.4	Very high	90.7	Very high	31 Å²	31	27.6 Å²	27.6	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-48.3	176	-177.8	-92.4	0	0	0	111.4	M51 M54 A55 F155 A252 F253 T258 A259 V260	M51-F256 HydrophobicContact CG-CB 3.94Å; M51-F256 HydrophobicContact CG-CD2 4.25Å; M51-F256 HydrophobicContact CG-CG 4.19Å; M51-F256 HydrophobicContact SD-CB 4.14Å; M54-F256 HydrophobicContact CB-CE2 4.41Å; A55-F256 HydrophobicContact CB-CB 4.04Å; A55-F256 HydrophobicContact CB-CD2 3.88Å; A55-F256 HydrophobicContact CB-CG 4.43Å; F155-F256 HydrophobicContact CD2-CD1 4.48Å; F155-F256 AromaticContact CD2-CE1 3.88Å; F155-F256 HydrophobicContact CD2-CE1 3.88Å; F155-F256 HydrophobicContact CD2-CZ 4.11Å; F155-F256 HydrophobicContact CE1-CD1 4.41Å; F155-F256 HydrophobicContact CE1-CE1 4.19Å; F155-F256 AromaticContact CE2-CD1 3.46Å; F155-F256 HydrophobicContact CE2-CD1 3.46Å; F155-F256 VanDerWaalsContact CE2-CD1 3.46Å; F155-F256 AromaticContact CE2-CE1 3.27Å; F155-F256 HydrophobicContact CE2-CE1 3.27Å; F155-F256 HydrophobicContact CE2-CE2 4.43Å; F155-F256 HydrophobicContact CE2-CG 4.13Å; F155-F256 AromaticContact CE2-CZ 3.81Å; F155-F256 HydrophobicContact CE2-CZ 3.81Å; F155-F256 AromaticContact CZ-CD1 3.41Å; F155-F256 HydrophobicContact CZ-CD1 3.41Å; F155-F256 VanDerWaalsContact CZ-CD1 3.41Å; F155-F256 AromaticContact CZ-CE1 3.45Å; F155-F256 HydrophobicContact CZ-CE1 3.45Å; F155-F256 VanDerWaalsContact CZ-CE1 3.45Å; F155-F256 HydrophobicContact CZ-CG 4.35Å; F155-F256 HydrophobicContact CZ-CZ 4.41Å; A252-F256 WeakPolarHBondContact O-CB 3.25Å; A252-F256 PolarHBondContact O-N 3.44Å; F253-F256 PolarHBondContact O-N 2.9Å; F256-T258 VanDerWaalsContact C-N 3.34Å; F256-T258 PolarHBondContact O-N 3.31Å; F256-A259 PolarHBondContact O-N 2.85Å; F256-V260 HydrophobicContact CD1-CG2 4.34Å; F256-V260 HydrophobicContact CE1-CG2 3.92Å; F256-V260 HydrophobicContact CE2-CG2 4.44Å; F256-V260 HydrophobicContact CZ-CG2 3.97Å; F256-V260 WeakPolarHBondContact O-CG2 3.01Å; F256-V260 PolarHBondContact O-N 3.3Å; F256-V260 VanDerWaalsContact O-N 3.08Å
257	T	91.2	Very high	90.6	Very high	9 Å²	9	19.9 Å²	19.9	6%	0.055	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-43.8	179.3	-58.6	0	0	0	0	111.4	E234 F253 S254 V255 A259 V260 L261	E234-T257 HydrophobicContact CG-CG2 4.24Å; F253-T257 VanDerWaalsContact CE2-OG1 3.25Å; F253-T257 WeakPolarHBondContact CE2-OG1 3.28Å; F253-T257 VanDerWaalsContact O-CB 3.29Å; F253-T257 WeakPolarHBondContact O-CB 3.22Å; F253-T257 PolarHBondContact O-N 3.24Å; F253-T257 PolarHBondContact O-OG1 3.46Å; S254-T257 PolarHBondContact O-N 2.97Å; V255-T257 PolarHBondContact O-N 3.48Å; T257-A259 PolarHBondContact O-N 3.41Å; T257-V260 PolarHBondContact O-N 3.2Å; T257-L261 HydrophobicContact CG2-CD1 3.41Å; T257-L261 VanDerWaalsContact CG2-CD1 3.41Å; T257-L261 HydrophobicContact CG2-CG 3.97Å; T257-L261 VanDerWaalsContact O-CB 3.26Å; T257-L261 WeakPolarHBondContact O-CB 3.34Å; T257-L261 VanDerWaalsContact O-CG 3.26Å; T257-L261 WeakPolarHBondContact O-CG 3.16Å; T257-L261 PolarHBondContact O-N 3.16Å
258	T	92.4	Very high	90.5	Very high	49 Å²	49	20.3 Å²	20.3	30%	0.301	13%	0.125	S	C	.	.	H	α-helix	trans	-59	-46.8	175.6	-57.9	0	0	0	0	111.6	I235 S254 V255 F256 V260 A262	I235-T258 HydrophobicContact CD1-CG2 4.36Å; I235-T258 HydrophobicContact CG2-CG2 4.22Å; S254-T258 WeakPolarHBondContact O-CB 3.37Å; S254-T258 PolarHBondContact O-N 3.28Å; S254-T258 PolarHBondContact O-OG1 3.49Å; V255-T258 PolarHBondContact O-N 2.9Å; F256-T258 VanDerWaalsContact C-N 3.34Å; F256-T258 PolarHBondContact O-N 3.31Å; T258-V260 PolarHBondContact O-N 2.88Å; T258-A262 WeakPolarHBondContact O-CB 3.47Å; T258-A262 PolarHBondContact O-N 3.32Å
259	A	90.6	Very high	90.5	Very high	12 Å²	12	20.1 Å²	20.1	10%	0.099	12%	0.118	C	C	.	.	H	α-helix	trans	-60.1	-44.2	-180	0	0	0	0	0	112.7	A55 F59 V255 F256 T257 N263	A55-A259 HydrophobicContact CB-CB 4.5Å; F59-A259 HydrophobicContact CB-CB 4.13Å; F59-A259 HydrophobicContact CD2-CB 4.26Å; V255-A259 WeakPolarHBondContact O-CB 3.42Å; V255-A259 PolarHBondContact O-N 3.18Å; F256-A259 PolarHBondContact O-N 2.85Å; T257-A259 PolarHBondContact O-N 3.41Å; A259-N263 PolarHBondContact O-ND2 2.97Å
260	V	89.1	Confident	90.4	Very high	25 Å²	25	26.8 Å²	26.8	15%	0.152	15%	0.148	C	C	.	.	H	α-helix	trans	-71.5	-48.9	179.8	179.6	0	0	0	0	111.4	T58 L62 F256 T257 T258 R264	T58-V260 HydrophobicContact CG2-CG2 3.78Å; L62-V260 HydrophobicContact CD1-CB 4.39Å; L62-V260 HydrophobicContact CD1-CG1 4.28Å; L62-V260 HydrophobicContact CD1-CG2 4.38Å; F256-V260 HydrophobicContact CD1-CG2 4.34Å; F256-V260 HydrophobicContact CE1-CG2 3.92Å; F256-V260 HydrophobicContact CE2-CG2 4.44Å; F256-V260 HydrophobicContact CZ-CG2 3.97Å; F256-V260 WeakPolarHBondContact O-CG2 3.01Å; F256-V260 PolarHBondContact O-N 3.3Å; F256-V260 VanDerWaalsContact O-N 3.08Å; T257-V260 PolarHBondContact O-N 3.2Å; T258-V260 PolarHBondContact O-N 2.88Å; V260-R264 WeakPolarHBondContact O-CB 3.34Å; V260-R264 PolarHBondContact O-N 3.37Å
261	L	89.6	Confident	90.3	Very high	13 Å²	13	29.6 Å²	29.6	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-74.6	-35.3	-172.4	-65.6	-174.7	0	0	0	113	F231 E234 I235 T257 R264 A265	F231-L261 HydrophobicContact CB-CB 4.16Å; F231-L261 HydrophobicContact CD1-CD2 3.81Å; F231-L261 HydrophobicContact CE1-CD2 4.16Å; F231-L261 HydrophobicContact CG-CB 4.42Å; F231-L261 HydrophobicContact CG-CD2 4.41Å; E234-L261 HydrophobicContact CB-CD1 3.89Å; E234-L261 HydrophobicContact CG-CD1 3.75Å; E234-L261 VanDerWaalsContact OE2-CD1 3.24Å; E234-L261 WeakPolarHBondContact OE2-CD1 3.3Å; I235-L261 HydrophobicContact CD1-CB 3.97Å; I235-L261 HydrophobicContact CG1-CB 4.12Å; I235-L261 HydrophobicContact CG1-CD1 4.13Å; T257-L261 HydrophobicContact CG2-CD1 3.41Å; T257-L261 VanDerWaalsContact CG2-CD1 3.41Å; T257-L261 HydrophobicContact CG2-CG 3.97Å; T257-L261 VanDerWaalsContact O-CB 3.26Å; T257-L261 WeakPolarHBondContact O-CB 3.34Å; T257-L261 VanDerWaalsContact O-CG 3.26Å; T257-L261 WeakPolarHBondContact O-CG 3.16Å; T257-L261 PolarHBondContact O-N 3.16Å; L261-R264 PolarHBondContact O-N 3.01Å; L261-A265 WeakPolarHBondContact O-CB 3.35Å; L261-A265 PolarHBondContact O-N 3.04Å
262	A	89.2	Confident	90.1	Very high	17 Å²	17	28.4 Å²	28.4	14%	0.14	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-47.7	177.1	0	0	0	0	0	111.5	T258 R264 A265 V266 L286	T258-A262 WeakPolarHBondContact O-CB 3.47Å; T258-A262 PolarHBondContact O-N 3.32Å; A262-R264 VanDerWaalsContact C-N 3.26Å; A262-R264 PolarHBondContact O-N 2.99Å; A262-A265 WeakPolarHBondContact O-CB 3.41Å; A262-A265 PolarHBondContact O-N 2.93Å; A262-V266 WeakPolarHBondContact O-CG2 3.41Å; A262-V266 PolarHBondContact O-N 3.24Å; A262-V266 VanDerWaalsContact O-N 3.09Å; A262-L286 HydrophobicContact CB-CD2 3.65Å
263	N	88.2	Confident	90	Very high	22 Å²	22	32 Å²	32	12%	0.118	17%	0.166	C	C	.	.	H	α-helix	trans	-58.2	-42	174.6	-84.9	-68.2	0	0	0	111.5	F59 L62 A259 A265 V266 A267	F59-N263 WeakPolarHBondContact CD2-ND2 3.5Å; F59-N263 VanDerWaalsContact CE2-ND2 3.35Å; F59-N263 WeakPolarHBondContact CE2-ND2 3.44Å; L62-N263 HydrophobicContact CB-CB 3.85Å; L62-N263 HydrophobicContact CD1-CB 4.1Å; A259-N263 PolarHBondContact O-ND2 2.97Å; N263-A265 PolarHBondContact O-N 3.01Å; N263-V266 PolarHBondContact O-N 3.16Å; N263-A267 PolarHBondContact O-N 3.43Å
264	R	86.2	Confident	89.8	Confident	36 Å²	36	36 Å²	36	14%	0.136	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-39.2	178.5	-165.6	174.6	-173.6	-148.2	0.9	112.8	Y69 F231 V260 L261 A262 A267 H268	Y69-R264 VanDerWaalsContact CZ-NH1 3.3Å; Y69-R264 PolarHBondContact OH-NE 3.33Å; Y69-R264 PolarHBondContact OH-NH1 3.47Å; F231-R264 HydrophobicContact CE2-CB 4.17Å; F231-R264 HydrophobicContact CE2-CG 3.85Å; F231-R264 HydrophobicContact CZ-CG 3.91Å; V260-R264 WeakPolarHBondContact O-CB 3.34Å; V260-R264 PolarHBondContact O-N 3.37Å; L261-R264 PolarHBondContact O-N 3.01Å; A262-R264 VanDerWaalsContact C-N 3.26Å; A262-R264 PolarHBondContact O-N 2.99Å; R264-A267 PolarHBondContact O-N 2.75Å; R264-H268 PolarHBondContact O-N 2.83Å
265	A	88.4	Confident	89.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-45.4	175.6	0	0	0	0	0	111.3	F231 L261 A262 N263 A267 H268 H269 L286	F231-A265 HydrophobicContact CD2-CB 3.84Å; L261-A265 WeakPolarHBondContact O-CB 3.35Å; L261-A265 PolarHBondContact O-N 3.04Å; A262-A265 WeakPolarHBondContact O-CB 3.41Å; A262-A265 PolarHBondContact O-N 2.93Å; N263-A265 PolarHBondContact O-N 3.01Å; A265-A267 PolarHBondContact O-N 3.31Å; A265-H268 PolarHBondContact O-N 3.49Å; A265-H269 WeakPolarHBondContact O-CB 3.49Å; A265-H269 PolarHBondContact O-N 2.95Å; A265-L286 HydrophobicContact CB-CB 4.07Å; A265-L286 HydrophobicContact CB-CD1 3.74Å; A265-L286 HydrophobicContact CB-CG 4.4Å
266	V	89.1	Confident	89.3	Confident	30 Å²	30	40.6 Å²	40.6	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-46.4	176	174.8	0	0	0	0	111.1	A262 N263 H268 H269 K270 A285 F291	A262-V266 WeakPolarHBondContact O-CG2 3.41Å; A262-V266 PolarHBondContact O-N 3.24Å; A262-V266 VanDerWaalsContact O-N 3.09Å; N263-V266 PolarHBondContact O-N 3.16Å; V266-H268 VanDerWaalsContact C-N 3.33Å; V266-H268 PolarHBondContact O-N 3.09Å; V266-H269 PolarHBondContact O-N 2.65Å; V266-K270 HydrophobicContact CG1-CD 4.28Å; V266-K270 WeakPolarHBondContact O-CG 3.35Å; V266-K270 PolarHBondContact O-N 3.49Å; V266-A285 HydrophobicContact CG2-CB 4.11Å; V266-F291 HydrophobicContact CG2-CE1 3.55Å; V266-F291 HydrophobicContact CG2-CE2 4.38Å; V266-F291 HydrophobicContact CG2-CZ 3.35Å
267	A	87.9	Confident	89.1	Confident	10 Å²	10	48.2 Å²	48.2	8%	0.083	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-44.6	177.1	0	0	0	0	0	111.3	N66 Y72 N263 R264 A265 K270 W271	N66-A267 WeakPolarHBondContact OD1-CB 3.35Å; Y72-A267 HydrophobicContact CE2-CB 4.18Å; Y72-A267 WeakPolarHBondContact OH-CB 3.26Å; Y72-A267 PolarHBondContact OH-O 2.88Å; N263-A267 PolarHBondContact O-N 3.43Å; R264-A267 PolarHBondContact O-N 2.75Å; A265-A267 PolarHBondContact O-N 3.31Å; A267-K270 PolarHBondContact O-N 2.73Å; A267-W271 WeakPolarHBondContact O-CB 3.44Å; A267-W271 PolarHBondContact O-N 2.67Å
268	H	88.3	Confident	89	Confident	19 Å²	19	54.6 Å²	54.6	9%	0.088	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-40.8	176.9	-74.8	-9.5	0	0	0	112.6	Y72 F231 R264 A265 V266 W271 Y272	Y72-H268 AromaticContact CE2-CE1 3.56Å; Y72-H268 AromaticContact CE2-ND1 3.62Å; Y72-H268 AromaticContact CZ-ND1 3.72Å; Y72-H268 PolarHBondContact OH-N 3.28Å; Y72-H268 PolarHBondContact OH-ND1 2.87Å; Y72-H268 VanDerWaalsContact OH-ND1 3.15Å; F231-H268 AromaticContact CE2-CD2 3.45Å; F231-H268 VanDerWaalsContact CE2-CD2 3.45Å; F231-H268 WeakPolarHBondContact CE2-CD2 3.34Å; F231-H268 AromaticContact CZ-CD2 3.77Å; F231-H268 AromaticContact CZ-NE2 3.87Å; R264-H268 PolarHBondContact O-N 2.83Å; A265-H268 PolarHBondContact O-N 3.49Å; V266-H268 VanDerWaalsContact C-N 3.33Å; V266-H268 PolarHBondContact O-N 3.09Å; H268-W271 PolarHBondContact O-N 3.21Å; H268-Y272 HydrophobicContact CB-CE2 4.43Å; H268-Y272 WeakPolarHBondContact O-CD2 3.49Å; H268-Y272 PolarHBondContact O-N 3.32Å
269	H	89.6	Confident	88.8	Confident	30 Å²	30	52.6 Å²	52.6	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-50.4	175.7	-175	70.6	0	0	0	111.5	S227 A265 V266 W271 Y272 L273 R283 A285	S227-H269 PolarHBondContact OG-ND1 3.45Å; A265-H269 WeakPolarHBondContact O-CB 3.49Å; A265-H269 PolarHBondContact O-N 2.95Å; V266-H269 PolarHBondContact O-N 2.65Å; H269-W271 VanDerWaalsContact C-N 3.31Å; H269-W271 PolarHBondContact O-N 3.11Å; H269-Y272 PolarHBondContact O-N 3Å; H269-L273 WeakPolarHBondContact NE2-CD1 3.49Å; H269-L273 PolarHBondContact O-N 3.03Å; H269-R283 PolarHBondContact CE1-O 2.74Å; H269-A285 HydrophobicContact CB-CB 3.79Å
270	K	89.8	Confident	88.7	Confident	141 Å²	141	53 Å²	53	61%	0.613	27%	0.271	S	S	*	.	H	α-helix	trans	-57.9	-43.3	175.5	-70.8	178.8	-179.8	179.8	0	112	V266 A267 L273 A274	V266-K270 HydrophobicContact CG1-CD 4.28Å; V266-K270 WeakPolarHBondContact O-CG 3.35Å; V266-K270 PolarHBondContact O-N 3.49Å; A267-K270 PolarHBondContact O-N 2.73Å; K270-L273 PolarHBondContact O-N 3.45Å; K270-A274 WeakPolarHBondContact O-CB 3.37Å; K270-A274 PolarHBondContact O-N 2.84Å
271	W	89.5	Confident	88.6	Confident	60 Å²	60	60.5 Å²	60.5	23%	0.227	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-40.5	178.1	-175.6	90	0	0	0	112.4	Y215 A267 H268 H269 A274 K275 F276	Y215-W271 HydrophobicContact CD1-CH2 4.15Å; Y215-W271 AromaticContact CD2-CH2 3.58Å; Y215-W271 HydrophobicContact CD2-CH2 3.58Å; Y215-W271 AromaticContact CD2-CZ2 3.94Å; Y215-W271 HydrophobicContact CD2-CZ2 3.94Å; Y215-W271 HydrophobicContact CE2-CH2 4.31Å; Y215-W271 HydrophobicContact CE2-CZ2 4.33Å; Y215-W271 AromaticContact CG-CH2 3.49Å; Y215-W271 HydrophobicContact CG-CH2 3.49Å; Y215-W271 VanDerWaalsContact CG-CH2 3.49Å; Y215-W271 HydrophobicContact CG-CZ2 4.29Å; Y215-W271 HydrophobicContact CG-CZ3 4.21Å; A267-W271 WeakPolarHBondContact O-CB 3.44Å; A267-W271 PolarHBondContact O-N 2.67Å; H268-W271 PolarHBondContact O-N 3.21Å; H269-W271 VanDerWaalsContact C-N 3.31Å; H269-W271 PolarHBondContact O-N 3.11Å; W271-A274 PolarHBondContact O-N 2.91Å; W271-K275 HydrophobicContact CD2-CB 4.31Å; W271-K275 HydrophobicContact CE3-CB 4.23Å; W271-K275 HydrophobicContact CH2-CB 4.14Å; W271-K275 HydrophobicContact CH2-CG 3.71Å; W271-K275 HydrophobicContact CZ2-CB 4.21Å; W271-K275 HydrophobicContact CZ2-CD 4.3Å; W271-K275 HydrophobicContact CZ2-CG 3.85Å; W271-K275 HydrophobicContact CZ3-CB 4.13Å; W271-K275 HydrophobicContact CZ3-CG 4.14Å; W271-K275 WeakPolarHBondContact O-CB 3.48Å; W271-K275 PolarHBondContact O-N 3.5Å; W271-F276 HydrophobicContact CH2-CE2 4.33Å; W271-F276 AromaticContact CZ3-CE2 3.85Å; W271-F276 HydrophobicContact CZ3-CE2 3.85Å
272	Y	88.7	Confident	88.5	Confident	5 Å²	5	64.6 Å²	64.6	2%	0.02	33%	0.331	C	S	.	.	H	α-helix	trans	-64.5	-44.1	177.2	-81.4	-60	0	0	0	112.1	R71 H268 H269 A274 K275 F276 Y279	R71-Y272 PolarHBondContact NH1-OH 2.79Å; R71-Y272 PolarHBondContact NH2-OH 3.16Å; H268-Y272 HydrophobicContact CB-CE2 4.43Å; H268-Y272 WeakPolarHBondContact O-CD2 3.49Å; H268-Y272 PolarHBondContact O-N 3.32Å; H269-Y272 PolarHBondContact O-N 3Å; Y272-A274 VanDerWaalsContact C-N 3.31Å; Y272-A274 PolarHBondContact O-N 3.31Å; Y272-K275 PolarHBondContact O-N 2.92Å; Y272-F276 AromaticContact CD1-CD2 3.82Å; Y272-F276 HydrophobicContact CD1-CD2 3.82Å; Y272-F276 AromaticContact CD1-CE2 3.69Å; Y272-F276 HydrophobicContact CD1-CE2 3.69Å; Y272-F276 HydrophobicContact CE1-CE2 4.05Å; Y272-F276 PolarHBondContact O-N 3.49Å; Y272-Y279 HydrophobicContact CD1-CD2 4.37Å; Y272-Y279 HydrophobicContact CD1-CE2 4.05Å; Y272-Y279 HydrophobicContact CD2-CE2 4.22Å; Y272-Y279 HydrophobicContact CG-CD2 4.24Å; Y272-Y279 AromaticContact CG-CE2 3.72Å; Y272-Y279 HydrophobicContact CG-CE2 3.72Å
273	L	89.1	Confident	88.5	Confident	76 Å²	76	63.9 Å²	63.9	40%	0.398	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-38.5	175.6	-73.3	170.3	0	0	0	112.6	H269 K270 Y279	H269-L273 WeakPolarHBondContact NE2-CD1 3.49Å; H269-L273 PolarHBondContact O-N 3.03Å; K270-L273 PolarHBondContact O-N 3.45Å; L273-Y279 HydrophobicContact CD2-CD1 3.78Å; L273-Y279 HydrophobicContact CG-CD1 4.22Å
274	A	89.7	Confident	88.7	Confident	91 Å²	91	66.3 Å²	66.3	75%	0.752	34%	0.335	S	S	*	.	H	α-helix	trans	-77.4	-28.5	179.1	0	0	0	0	0	113.2	K270 W271 Y272	K270-A274 WeakPolarHBondContact O-CB 3.37Å; K270-A274 PolarHBondContact O-N 2.84Å; W271-A274 PolarHBondContact O-N 2.91Å; Y272-A274 VanDerWaalsContact C-N 3.31Å; Y272-A274 PolarHBondContact O-N 3.31Å
275	K	88.1	Confident	88.7	Confident	132 Å²	132	64.7 Å²	64.7	57%	0.574	33%	0.329	S	S	*	.	H	α-helix	trans	-90.8	-34	-173.6	-174.2	61.7	-179.6	171	0	113.6	W271 Y272	W271-K275 HydrophobicContact CD2-CB 4.31Å; W271-K275 HydrophobicContact CE3-CB 4.23Å; W271-K275 HydrophobicContact CH2-CB 4.14Å; W271-K275 HydrophobicContact CH2-CG 3.71Å; W271-K275 HydrophobicContact CZ2-CB 4.21Å; W271-K275 HydrophobicContact CZ2-CD 4.3Å; W271-K275 HydrophobicContact CZ2-CG 3.85Å; W271-K275 HydrophobicContact CZ3-CB 4.13Å; W271-K275 HydrophobicContact CZ3-CG 4.14Å; W271-K275 WeakPolarHBondContact O-CB 3.48Å; W271-K275 PolarHBondContact O-N 3.5Å; Y272-K275 PolarHBondContact O-N 2.92Å
276	F	89.4	Confident	88.7	Confident	45 Å²	45	65.3 Å²	65.3	20%	0.197	33%	0.332	C	S	.	.			trans	-120.4	118.1	-175.4	-61	-80.3	0	0	0	110.4	Y215 I217 W271 Y272 D278 Y279	Y215-F276 WeakPolarHBondContact O-CZ 3.4Å; I217-F276 HydrophobicContact CD1-CB 3.92Å; I217-F276 HydrophobicContact CD1-CD1 4.23Å; I217-F276 HydrophobicContact CD1-CG 4.01Å; I217-F276 HydrophobicContact CG1-CB 4.23Å; I217-F276 HydrophobicContact CG1-CD1 4.01Å; I217-F276 HydrophobicContact CG1-CD2 3.98Å; I217-F276 HydrophobicContact CG1-CE1 4.35Å; I217-F276 HydrophobicContact CG1-CE2 4.32Å; I217-F276 HydrophobicContact CG1-CG 3.81Å; I217-F276 HydrophobicContact CG1-CZ 4.5Å; W271-F276 HydrophobicContact CH2-CE2 4.33Å; W271-F276 AromaticContact CZ3-CE2 3.85Å; W271-F276 HydrophobicContact CZ3-CE2 3.85Å; Y272-F276 AromaticContact CD1-CD2 3.82Å; Y272-F276 HydrophobicContact CD1-CD2 3.82Å; Y272-F276 AromaticContact CD1-CE2 3.69Å; Y272-F276 HydrophobicContact CD1-CE2 3.69Å; Y272-F276 HydrophobicContact CE1-CE2 4.05Å; Y272-F276 PolarHBondContact O-N 3.49Å; F276-D278 VanDerWaalsContact C-N 3.28Å; F276-D278 PolarHBondContact O-N 2.85Å; F276-Y279 WeakPolarHBondContact O-CB 3.49Å; F276-Y279 PolarHBondContact O-N 3.45Å
277	E	86.8	Confident	88.6	Confident	191 Å²	191	67.6 Å²	67.6	89%	0.893	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-36.5	174.4	-63.9	-177.1	177.4	0	0	111.4	Y279	E277-Y279 PolarHBondContact O-N 3.43Å
278	D	89.5	Confident	88.3	Confident	142 Å²	142	68.7 Å²	68.7	76%	0.759	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	13.6	178.7	-59.5	-39.6	0	0	0	114.3	F276	F276-D278 VanDerWaalsContact C-N 3.28Å; F276-D278 PolarHBondContact O-N 2.85Å
279	Y	89.3	Confident	88	Confident	7 Å²	7	75.3 Å²	75.3	3%	0.027	38%	0.378	C	S	.	.			trans	-69.4	131.3	-179.6	-164.1	-101.1	0	0	0	111.7	I217 S227 Y272 L273 F276 E277 K281 R283	I217-Y279 HydrophobicContact CD1-CD2 4.2Å; I217-Y279 HydrophobicContact CG1-CD2 4.15Å; I217-Y279 HydrophobicContact CG2-CD2 3.98Å; I217-Y279 HydrophobicContact CG2-CE2 3.94Å; S227-Y279 WeakPolarHBondContact CB-OH 3.47Å; S227-Y279 PolarHBondContact OG-OH 2.8Å; Y272-Y279 HydrophobicContact CD1-CD2 4.37Å; Y272-Y279 HydrophobicContact CD1-CE2 4.05Å; Y272-Y279 HydrophobicContact CD2-CE2 4.22Å; Y272-Y279 HydrophobicContact CG-CD2 4.24Å; Y272-Y279 AromaticContact CG-CE2 3.72Å; Y272-Y279 HydrophobicContact CG-CE2 3.72Å; L273-Y279 HydrophobicContact CD2-CD1 3.78Å; L273-Y279 HydrophobicContact CG-CD1 4.22Å; F276-Y279 WeakPolarHBondContact O-CB 3.49Å; F276-Y279 PolarHBondContact O-N 3.45Å; E277-Y279 PolarHBondContact O-N 3.43Å; Y279-K281 PolarHBondContact O-N 3.07Å; Y279-R283 HydrophobicContact CE1-CB 4.15Å; Y279-R283 WeakPolarHBondContact OH-CD 3.29Å
280	P	88.3	Confident	87.8	Confident	20 Å²	20	79.1 Å²	79.1	13%	0.13	40%	0.403	C	S	.	.			trans	-62.8	111	178.8	-23.4	34.6	0	0	0	112.1	R219 S282 R283	R219-P280 VanDerWaalsContact NH2-CG 3.33Å; P280-S282 PolarHBondContact O-N 3.19Å; P280-R283 HydrophobicContact CB-CG 4.05Å; P280-R283 WeakPolarHBondContact O-CB 3.33Å; P280-R283 PolarHBondContact O-N 3.44Å
281	K	86.3	Confident	87.1	Confident	184 Å²	184	77.7 Å²	77.7	80%	0.8	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-15.4	180	-60.6	-177.1	-176.3	177.3	0	113.7	Y279 R283	Y279-K281 PolarHBondContact O-N 3.07Å; K281-R283 VanDerWaalsContact C-N 3.29Å
282	S	87.4	Confident	87	Confident	98 Å²	98	78.6 Å²	78.6	69%	0.685	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.7	174.5	54.7	0	0	0	0	113.1	P280	P280-S282 PolarHBondContact O-N 3.19Å
283	R	89.6	Confident	86.9	Confident	2 Å²	2	82.5 Å²	82.5	1%	0.008	43%	0.426	C	S	.	.			trans	-68	145.8	179.5	-73.2	173.2	-176.8	-162.9	-7.9	110.9	P218 F223 E224 F225 H269 Y279 P280 K281	P218-R283 PolarHBondContact O-NH1 3.41Å; P218-R283 PolarHBondContact O-NH2 3.11Å; F223-R283 WeakPolarHBondContact O-CD 3.48Å; F223-R283 PolarHBondContact O-NE 3.32Å; F223-R283 PolarHBondContact O-NH1 3.35Å; F223-R283 PolarHBondContact O-NH2 2.92Å; E224-R283 WeakPolarHBondContact O-CG 3.15Å; E224-R283 IonicContact OE1-NH2 3.84Å; E224-R283 PolarHBondContact OE1-NH2 3.28Å; E224-R283 IonicContact OE2-CZ 3.94Å; E224-R283 IonicContact OE2-NH2 3.58Å; E224-R283 PolarHBondContact OE2-NH2 3.34Å; F225-R283 WeakPolarHBondContact O-CA 3.45Å; H269-R283 PolarHBondContact CE1-O 2.74Å; Y279-R283 HydrophobicContact CE1-CB 4.15Å; Y279-R283 WeakPolarHBondContact OH-CD 3.29Å; P280-R283 HydrophobicContact CB-CG 4.05Å; P280-R283 WeakPolarHBondContact O-CB 3.33Å; P280-R283 PolarHBondContact O-N 3.44Å; K281-R283 VanDerWaalsContact C-N 3.29Å
284	K	91.3	Very high	86.7	Confident	73 Å²	73	82.8 Å²	82.8	32%	0.317	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-103.5	168.8	173.9	-63.4	-55.9	-176.8	-177.4	0	110.7	F225 V226 S227 I287	F225-K284 PolarHBondContact O-N 3.5Å; V226-K284 CarbonylContact C-O 3.46Å; V226-K284 VanDerWaalsContact CA-O 3.23Å; V226-K284 WeakPolarHBondContact CA-O 3.32Å; V226-K284 HydrophobicContact CG1-CB 4.34Å; S227-K284 PolarHBondContact N-O 3.45Å; S227-K284 PolarHBondContact OG-O 3.36Å; K284-I287 WeakPolarHBondContact CB-O 3.31Å
285	A	87.2	Confident	86.6	Confident	3 Å²	3	82.4 Å²	82.4	3%	0.025	41%	0.408	C	S	.	.	S	Bend	trans	-72.6	-46.8	-177.5	0	0	0	0	0	111.8	G228 V266 H269 F291	G228-A285 PolarHBondContact N-O 3.36Å; V266-A285 HydrophobicContact CG2-CB 4.11Å; H269-A285 HydrophobicContact CB-CB 3.79Å; A285-F291 WeakPolarHBondContact CB-OXT 3.49Å; A285-F291 PolarHBondContact N-O 2.94Å; A285-F291 PolarHBondContact N-OXT 3.35Å
286	L	87.7	Confident	86.5	Confident	12 Å²	12	79.3 Å²	79.3	6%	0.063	40%	0.398	C	S	.	.	S	Bend	trans	-143	-48.4	-168.7	-170.6	69.8	0	0	0	114.5	V226 F231 L232 I235 A262 A265 F291	V226-L286 WeakPolarHBondContact CG1-O 3.39Å; F231-L286 HydrophobicContact CB-CD1 4.01Å; L232-L286 HydrophobicContact CB-CD1 4.16Å; L232-L286 WeakPolarHBondContact CD2-O 3.14Å; I235-L286 HydrophobicContact CD1-CD1 4.03Å; I235-L286 HydrophobicContact CD1-CD2 3.77Å; I235-L286 HydrophobicContact CD1-CG 4.41Å; A262-L286 HydrophobicContact CB-CD2 3.65Å; A265-L286 HydrophobicContact CB-CB 4.07Å; A265-L286 HydrophobicContact CB-CD1 3.74Å; A265-L286 HydrophobicContact CB-CG 4.4Å; L286-F291 CarbonylContact C-O 3.48Å; L286-F291 WeakPolarHBondContact CA-O 3.46Å; L286-F291 HydrophobicContact CB-CD1 4.27Å; L286-F291 PolarHBondContact N-O 2.86Å
287	I	86.6	Confident	86.3	Confident	79 Å²	79	81.5 Å²	81.5	41%	0.405	41%	0.411	S	S	.	.	S	Bend	trans	-99.6	119.7	-178	-55.3	177.6	0	0	0	108.7	K284 F289 V290 F291	K284-I287 WeakPolarHBondContact CB-O 3.31Å; I287-F289 PolarHBondContact O-N 2.96Å; I287-V290 HydrophobicContact CB-CB 4.12Å; I287-V290 HydrophobicContact CG2-CB 3.78Å; I287-V290 HydrophobicContact CG2-CG2 4.01Å; I287-V290 PolarHBondContact O-N 3.05Å; I287-V290 VanDerWaalsContact O-N 3.15Å; I287-F291 HydrophobicContact CB-CB 4.16Å; I287-F291 HydrophobicContact CD1-CB 4.35Å; I287-F291 HydrophobicContact CG1-CB 4.35Å; I287-F291 PolarHBondContact N-O 3.3Å; I287-F291 PolarHBondContact O-N 2.78Å
288	P	82.4	Confident	86.2	Confident	32 Å²	32	73.7 Å²	73.7	21%	0.208	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	131.7	179.1	-26.6	34.5	0	0	0	111.4	M222 F225 V226 L232 V290	M222-P288 HydrophobicContact CE-CG 3.73Å; F225-P288 HydrophobicContact CB-CB 4.1Å; F225-P288 HydrophobicContact CB-CG 4.43Å; V226-P288 HydrophobicContact CG1-CB 4.29Å; V226-P288 HydrophobicContact CG1-CG 3.85Å; L232-P288 HydrophobicContact CD2-CG 4.17Å; P288-V290 PolarHBondContact O-N 2.89Å
289	F	82.8	Confident	86	Confident	159 Å²	159	68.5 Å²	68.5	70%	0.697	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-13.1	178.7	-44.1	-73.9	0	0	0	116.8	F225 I287	F225-F289 AromaticContact CD1-CE1 3.91Å; F225-F289 HydrophobicContact CD1-CE1 3.91Å; F225-F289 HydrophobicContact CD1-CE2 4.15Å; F225-F289 AromaticContact CD1-CZ 3.43Å; F225-F289 HydrophobicContact CD1-CZ 3.43Å; F225-F289 VanDerWaalsContact CD1-CZ 3.43Å; F225-F289 HydrophobicContact CE1-CE1 4.23Å; F225-F289 HydrophobicContact CE1-CE2 4.47Å; F225-F289 AromaticContact CE1-CZ 3.59Å; F225-F289 HydrophobicContact CE1-CZ 3.59Å; F225-F289 HydrophobicContact CG-CZ 4.46Å; I287-F289 PolarHBondContact O-N 2.96Å
290	V	84.4	Confident	85.7	Confident	109 Å²	109	73.6 Å²	73.6	66%	0.661	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-62.7	-176.3	-177.4	0	0	0	0	111.8	I287 P288	I287-V290 HydrophobicContact CB-CB 4.12Å; I287-V290 HydrophobicContact CG2-CB 3.78Å; I287-V290 HydrophobicContact CG2-CG2 4.01Å; I287-V290 PolarHBondContact O-N 3.05Å; I287-V290 VanDerWaalsContact O-N 3.15Å; P288-V290 PolarHBondContact O-N 2.89Å
291	F	74.7	Confident	85.5	Confident	112 Å²	112	78.5 Å²	78.5	49%	0.491	40%	0.396	S	S	.	.			trans	-136.5	0	-164.1	-179.6	-111.6	0	0	0	113.1	V266 A285 L286 I287	V266-F291 HydrophobicContact CG2-CE1 3.55Å; V266-F291 HydrophobicContact CG2-CE2 4.38Å; V266-F291 HydrophobicContact CG2-CZ 3.35Å; A285-F291 WeakPolarHBondContact CB-OXT 3.49Å; A285-F291 PolarHBondContact N-O 2.94Å; A285-F291 PolarHBondContact N-OXT 3.35Å; L286-F291 CarbonylContact C-O 3.48Å; L286-F291 WeakPolarHBondContact CA-O 3.46Å; L286-F291 HydrophobicContact CB-CD1 4.27Å; L286-F291 PolarHBondContact N-O 2.86Å; I287-F291 HydrophobicContact CB-CB 4.16Å; I287-F291 HydrophobicContact CD1-CB 4.35Å; I287-F291 HydrophobicContact CG1-CB 4.35Å; I287-F291 PolarHBondContact N-O 3.3Å; I287-F291 PolarHBondContact O-N 2.78Å

Retrieved 291 of 291 residues in 591.8 ms (Link to these results)

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