A0A077ZAG0_TRITR Loading...

G protein coupled receptor, orphan

AlphaFold DB , UniProt , Accession A0A077ZAG0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 619 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	29.5	Very low	243 Å²	243	159.8 Å²	159.8	100%	1.197	86%	0.86	S	S	*	*				0	91.6	0	-71.8	175.2	170.1	0	0	108
2	P	38.5	Very low	29.5	Very low	128 Å²	128	154.8 Å²	154.8	83%	0.831	85%	0.846	S	S	*	*			trans	-122.3	180	179.2	39.4	-23.9	0	0	0	113.6
3	A	32.2	Very low	29.4	Very low	83 Å²	83	160.3 Å²	160.3	69%	0.686	85%	0.847	S	S	*	*			trans	79.2	105	164	0	0	0	0	0	115.9
4	E	28.6	Very low	29.3	Very low	196 Å²	196	158.2 Å²	158.2	92%	0.916	83%	0.83	S	S	*	*				99.6	136.5	63.1	-92.3	-178	162.1	0	0	110.8
5	G	24.9	Very low	29.7	Very low	77 Å²	77	153.5 Å²	153.5	79%	0.794	81%	0.812	S	S	*	*			trans	-83.3	168.6	-161.2	0	0	0	0	0	115.4
6	E	30.2	Very low	30.1	Very low	192 Å²	192	151.6 Å²	151.6	90%	0.897	80%	0.803	S	S	*	*			trans	-139	107.6	165.1	-120.9	175.4	-176.2	0	0	109.2	R8	E6-R8 PolarHBondContact O-N 2.8Å
7	H	27	Very low	30.3	Very low	192 Å²	192	148.5 Å²	148.5	89%	0.889	79%	0.786	S	S	*	*			trans	-65.4	113.6	167.2	-81.6	-83.2	0	0	0	109.3	Q9	H7-Q9 PolarHBondContact O-N 3Å
8	R	28.5	Very low	30.6	Very low	248 Å²	248	143.7 Å²	143.7	94%	0.936	77%	0.766	S	S	*	*			trans	-80.1	105.5	164.2	-89.9	-177.7	-124.3	-163.2	-1.3	109.7	E6	E6-R8 PolarHBondContact O-N 2.8Å
9	Q	25.5	Very low	31	Very low	180 Å²	180	140.6 Å²	140.6	84%	0.841	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-69.7	145.5	159.1	-84.9	-179.3	-42.9	0	0	110.4	H7	H7-Q9 PolarHBondContact O-N 3Å
10	P	29	Very low	31.5	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-79.2	138.5	-174.3	30.4	-32.1	0	0	0	112.4	S12	P10-S12 PolarHBondContact O-N 3.05Å
11	S	30.2	Very low	31.9	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-60.9	116.2	178.8	51.8	0	0	0	0	112.5	W13	S11-W13 PolarHBondContact O-N 3.48Å
12	S	29.4	Very low	32.7	Very low	99 Å²	99	127.9 Å²	127.9	69%	0.692	68%	0.679	S	S	*	*			trans	-64.3	114.5	161.1	51.1	0	0	0	0	109.7	P10 H14	P10-S12 PolarHBondContact O-N 3.05Å; S12-H14 PolarHBondContact O-N 3.47Å
13	W	28.3	Very low	33.1	Very low	227 Å²	227	127 Å²	127	86%	0.86	66%	0.664	S	S	*	*			trans	-74.6	112.3	174.2	-78.1	81	0	0	0	109.4	S11	S11-W13 PolarHBondContact O-N 3.48Å
14	H	28.4	Very low	33.7	Very low	131 Å²	131	127 Å²	127	61%	0.606	65%	0.649	S	S	*	*			trans	-77.5	126.9	177.8	-93.3	-87	0	0	0	111.1	S12 D16 L17	S12-H14 PolarHBondContact O-N 3.47Å; H14-D16 VanDerWaalsContact C-N 3.25Å; H14-D16 PolarHBondContact O-N 2.85Å; H14-L17 PolarHBondContact O-N 3.21Å
15	P	35.1	Very low	34.6	Very low	88 Å²	88	119.1 Å²	119.1	57%	0.571	62%	0.616	S	S	*	*	H	α-helix	trans	-64.1	-22.2	-179.5	21.1	-30.3	0	0	0	114.6	L17 S18 N19	P15-L17 VanDerWaalsContact C-N 3.27Å; P15-L17 PolarHBondContact O-N 3.35Å; P15-S18 PolarHBondContact O-N 3.39Å; P15-S18 PolarHBondContact O-OG 2.8Å; P15-N19 PolarHBondContact O-N 2.68Å
16	D	35.5	Very low	35.8	Very low	123 Å²	123	117.5 Å²	117.5	66%	0.658	60%	0.595	S	S	*	*	H	α-helix	trans	-65.6	-29.3	177.4	-73	-36.1	0	0	0	113.1	H14 Y20	H14-D16 VanDerWaalsContact C-N 3.25Å; H14-D16 PolarHBondContact O-N 2.85Å; D16-Y20 WeakPolarHBondContact O-CB 3.24Å; D16-Y20 PolarHBondContact O-N 2.86Å; D16-Y20 VanDerWaalsContact O-N 3.09Å
17	L	34.3	Very low	36.7	Very low	99 Å²	99	114.5 Å²	114.5	52%	0.518	58%	0.579	S	S	.	*	H	α-helix	trans	-75	-35	-178.5	-171.3	62.9	0	0	0	112	H14 P15 L21	H14-L17 PolarHBondContact O-N 3.21Å; P15-L17 VanDerWaalsContact C-N 3.27Å; P15-L17 PolarHBondContact O-N 3.35Å; L17-L21 HydrophobicContact CD1-CD1 4.43Å; L17-L21 HydrophobicContact CD1-CG 4.47Å; L17-L21 HydrophobicContact CG-CD1 4.06Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.72Å
18	S	35.1	Very low	37.6	Very low	62 Å²	62	109.3 Å²	109.3	43%	0.434	56%	0.555	S	S	.	*	H	α-helix	trans	-70	-40.4	177.1	71.2	0	0	0	0	111.6	P15 L21 A22	P15-S18 PolarHBondContact O-N 3.39Å; P15-S18 PolarHBondContact O-OG 2.8Å; S18-L21 PolarHBondContact O-N 2.82Å; S18-A22 VanDerWaalsContact O-CB 3.29Å; S18-A22 WeakPolarHBondContact O-CB 3.41Å; S18-A22 PolarHBondContact O-N 2.75Å
19	N	38.9	Very low	38.6	Very low	85 Å²	85	100.3 Å²	100.3	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-42.6	176.9	-72.8	-9.6	0	0	0	111	P15 A22 E23	P15-N19 PolarHBondContact O-N 2.68Å; N19-A22 PolarHBondContact O-N 3.5Å; N19-E23 WeakPolarHBondContact O-CB 3.36Å; N19-E23 PolarHBondContact O-N 2.75Å
20	Y	41	Very low	39.4	Very low	139 Å²	139	95.9 Å²	95.9	55%	0.545	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175.7	-177.6	-99	0	0	0	112.8	D16 Q24	D16-Y20 WeakPolarHBondContact O-CB 3.24Å; D16-Y20 PolarHBondContact O-N 2.86Å; D16-Y20 VanDerWaalsContact O-N 3.09Å; Y20-Q24 HydrophobicContact CD1-CG 4.35Å; Y20-Q24 HydrophobicContact CE1-CG 3.99Å; Y20-Q24 WeakPolarHBondContact O-CB 3.21Å; Y20-Q24 VanDerWaalsContact O-CG 3.24Å; Y20-Q24 WeakPolarHBondContact O-CG 3.31Å; Y20-Q24 PolarHBondContact O-N 3.44Å; Y20-Q24 PolarHBondContact OH-NE2 3.1Å
21	L	39.2	Very low	40.1	Very low	104 Å²	104	94.9 Å²	94.9	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-67.7	-37.7	178.2	-70.3	170.9	0	0	0	112.1	L17 S18 S25	L17-L21 HydrophobicContact CD1-CD1 4.43Å; L17-L21 HydrophobicContact CD1-CG 4.47Å; L17-L21 HydrophobicContact CG-CD1 4.06Å; L17-L21 WeakPolarHBondContact O-CB 3.41Å; L17-L21 WeakPolarHBondContact O-CG 3.42Å; L17-L21 PolarHBondContact O-N 2.72Å; S18-L21 PolarHBondContact O-N 2.82Å; L21-S25 WeakPolarHBondContact O-CB 3.4Å; L21-S25 PolarHBondContact O-N 2.76Å
22	A	47.1	Very low	41	Very low	13 Å²	13	92.6 Å²	92.6	11%	0.107	48%	0.48	C	S	.	.	H	α-helix	trans	-67.1	-45.1	176.3	0	0	0	0	0	111.6	S18 N19 Q24 S25 A26 I64	S18-A22 VanDerWaalsContact O-CB 3.29Å; S18-A22 WeakPolarHBondContact O-CB 3.41Å; S18-A22 PolarHBondContact O-N 2.75Å; N19-A22 PolarHBondContact O-N 3.5Å; A22-Q24 VanDerWaalsContact C-N 3.33Å; A22-Q24 PolarHBondContact O-N 3.47Å; A22-S25 WeakPolarHBondContact CA-OG 3.41Å; A22-S25 PolarHBondContact O-N 3.27Å; A22-S25 VanDerWaalsContact O-N 3.12Å; A22-S25 PolarHBondContact O-OG 3.48Å; A22-A26 PolarHBondContact O-N 3.42Å; A22-I64 HydrophobicContact CB-CD1 4.12Å
23	E	47.9	Very low	41.6	Very low	111 Å²	111	96.3 Å²	96.3	52%	0.519	48%	0.484	S	S	.	.	H	α-helix	trans	-67.2	-34.1	178.9	-153.1	-174.2	148.5	0	0	112.3	N19 K27	N19-E23 WeakPolarHBondContact O-CB 3.36Å; N19-E23 PolarHBondContact O-N 2.75Å; E23-K27 WeakPolarHBondContact O-CB 3.36Å; E23-K27 WeakPolarHBondContact O-CG 3.27Å; E23-K27 PolarHBondContact O-N 2.71Å; E23-K27 VanDerWaalsContact O-N 3.12Å; E23-K27 WeakPolarHBondContact OE1-CE 2.92Å; E23-K27 IonicContact OE1-NZ 3.47Å; E23-K27 PolarHBondContact OE1-NZ 3.3Å
24	Q	44.6	Very low	42.3	Very low	82 Å²	82	95 Å²	95	38%	0.383	48%	0.479	S	S	.	.	H	α-helix	trans	-62.1	-47.3	168.6	-77	-83.3	-26.7	0	0	111	Y20 A22 A26 K27 E28	Y20-Q24 HydrophobicContact CD1-CG 4.35Å; Y20-Q24 HydrophobicContact CE1-CG 3.99Å; Y20-Q24 WeakPolarHBondContact O-CB 3.21Å; Y20-Q24 VanDerWaalsContact O-CG 3.24Å; Y20-Q24 WeakPolarHBondContact O-CG 3.31Å; Y20-Q24 PolarHBondContact O-N 3.44Å; Y20-Q24 PolarHBondContact OH-NE2 3.1Å; A22-Q24 VanDerWaalsContact C-N 3.33Å; A22-Q24 PolarHBondContact O-N 3.47Å; Q24-A26 PolarHBondContact O-N 2.69Å; Q24-K27 PolarHBondContact O-N 2.79Å; Q24-E28 PolarHBondContact O-N 2.82Å
25	S	47.6	Very low	42.9	Very low	31 Å²	31	92.3 Å²	92.3	22%	0.217	47%	0.469	C	S	.	.	H	α-helix	trans	-62.8	-39	179.5	73.1	0	0	0	0	112.9	L21 A22 E28 V29	L21-S25 WeakPolarHBondContact O-CB 3.4Å; L21-S25 PolarHBondContact O-N 2.76Å; A22-S25 WeakPolarHBondContact CA-OG 3.41Å; A22-S25 PolarHBondContact O-N 3.27Å; A22-S25 VanDerWaalsContact O-N 3.12Å; A22-S25 PolarHBondContact O-OG 3.48Å; S25-E28 PolarHBondContact O-N 3.29Å; S25-V29 WeakPolarHBondContact O-CG2 3.15Å; S25-V29 PolarHBondContact O-N 3.45Å
26	A	49.1	Very low	43.1	Very low	43 Å²	43	95.2 Å²	95.2	36%	0.355	48%	0.479	S	S	.	.	H	α-helix	trans	-67.9	-36.4	176.8	0	0	0	0	0	112.6	A22 Q24 E28 V29	A22-A26 PolarHBondContact O-N 3.42Å; Q24-A26 PolarHBondContact O-N 2.69Å; A26-E28 VanDerWaalsContact C-N 3.26Å; A26-E28 PolarHBondContact O-N 2.86Å; A26-V29 WeakPolarHBondContact O-CB 3.4Å; A26-V29 PolarHBondContact O-N 2.82Å
27	K	49.9	Very low	43.4	Very low	128 Å²	128	94.1 Å²	94.1	56%	0.557	48%	0.481	S	S	*	.	H	α-helix	trans	-68.3	-22.8	174.7	-76.5	170.8	-173.9	158.4	0	113.1	E23 Q24 P30	E23-K27 WeakPolarHBondContact O-CB 3.36Å; E23-K27 WeakPolarHBondContact O-CG 3.27Å; E23-K27 PolarHBondContact O-N 2.71Å; E23-K27 VanDerWaalsContact O-N 3.12Å; E23-K27 WeakPolarHBondContact OE1-CE 2.92Å; E23-K27 IonicContact OE1-NZ 3.47Å; E23-K27 PolarHBondContact OE1-NZ 3.3Å; Q24-K27 PolarHBondContact O-N 2.79Å; K27-P30 WeakPolarHBondContact O-CD 3.31Å
28	E	45.7	Very low	43.8	Very low	84 Å²	84	95.2 Å²	95.2	39%	0.393	49%	0.492	S	S	.	.	H	α-helix	trans	-80.1	-24.2	175.2	-69.2	-171.8	167.1	0	0	113.1	Q24 S25 A26 N31 F32	Q24-E28 PolarHBondContact O-N 2.82Å; S25-E28 PolarHBondContact O-N 3.29Å; A26-E28 VanDerWaalsContact C-N 3.26Å; A26-E28 PolarHBondContact O-N 2.86Å; E28-N31 WeakPolarHBondContact O-CA 3.38Å; E28-N31 WeakPolarHBondContact O-CB 3.03Å; E28-N31 PolarHBondContact O-N 2.76Å; E28-F32 HydrophobicContact CB-CD2 4.17Å; E28-F32 HydrophobicContact CB-CE2 3.69Å; E28-F32 WeakPolarHBondContact O-CD2 3.26Å; E28-F32 PolarHBondContact O-N 3.46Å; E28-F32 VanDerWaalsContact O-N 3.17Å
29	V	48.3	Very low	44.3	Very low	58 Å²	58	96.3 Å²	96.3	35%	0.352	49%	0.492	S	S	.	.	H	α-helix	trans	-52.2	-43.1	-178.2	-179.2	0	0	0	0	113.9	S25 A26 N31 F32	S25-V29 WeakPolarHBondContact O-CG2 3.15Å; S25-V29 PolarHBondContact O-N 3.45Å; A26-V29 WeakPolarHBondContact O-CB 3.4Å; A26-V29 PolarHBondContact O-N 2.82Å; V29-N31 VanDerWaalsContact C-N 3.34Å; V29-N31 PolarHBondContact O-N 3.37Å; V29-F32 PolarHBondContact O-N 3.29Å
30	P	43.7	Very low	44.4	Very low	87 Å²	87	94.9 Å²	94.9	57%	0.565	50%	0.497	S	S	*	.	H	α-helix	trans	-67.4	-29.9	175.3	-19.5	32.9	0	0	0	113.9	K27 F32	K27-P30 WeakPolarHBondContact O-CD 3.31Å; P30-F32 VanDerWaalsContact C-N 3.32Å
31	N	43.9	Very low	44.7	Very low	105 Å²	105	96.1 Å²	96.1	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-70.6	-30.4	175.8	-86.4	-25.2	0	0	0	111.5	E28 V29 K33 R34	E28-N31 WeakPolarHBondContact O-CA 3.38Å; E28-N31 WeakPolarHBondContact O-CB 3.03Å; E28-N31 PolarHBondContact O-N 2.76Å; V29-N31 VanDerWaalsContact C-N 3.34Å; V29-N31 PolarHBondContact O-N 3.37Å; N31-K33 VanDerWaalsContact C-N 3.33Å; N31-K33 PolarHBondContact O-N 2.84Å; N31-R34 PolarHBondContact O-N 2.87Å
32	F	47.7	Very low	45.2	Very low	45 Å²	45	100.2 Å²	100.2	20%	0.197	53%	0.528	C	S	.	.	H	α-helix	trans	-65	-29.7	176.1	-77.5	-73.5	0	0	0	113.8	E28 V29 P30 R34 Q50 Y85	E28-F32 HydrophobicContact CB-CD2 4.17Å; E28-F32 HydrophobicContact CB-CE2 3.69Å; E28-F32 WeakPolarHBondContact O-CD2 3.26Å; E28-F32 PolarHBondContact O-N 3.46Å; E28-F32 VanDerWaalsContact O-N 3.17Å; V29-F32 PolarHBondContact O-N 3.29Å; P30-F32 VanDerWaalsContact C-N 3.32Å; F32-R34 PolarHBondContact O-N 2.85Å; F32-R34 VanDerWaalsContact O-N 3.12Å; F32-Q50 HydrophobicContact CE1-CG 4.07Å; F32-Y85 HydrophobicContact CB-CE1 4.44Å
33	K	43.5	Very low	45.9	Very low	177 Å²	177	101.1 Å²	101.1	77%	0.77	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.8	175.8	-80.9	-177.2	176.6	176.4	0	114.2	N31	N31-K33 VanDerWaalsContact C-N 3.33Å; N31-K33 PolarHBondContact O-N 2.84Å
34	R	42.7	Very low	46.7	Very low	201 Å²	201	100.1 Å²	100.1	76%	0.758	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-16.8	-171.8	-153.5	-179.1	-67.6	-168	1.1	114.4	N31 F32 N36	N31-R34 PolarHBondContact O-N 2.87Å; F32-R34 PolarHBondContact O-N 2.85Å; F32-R34 VanDerWaalsContact O-N 3.12Å; R34-N36 VanDerWaalsContact C-N 3.3Å; R34-N36 PolarHBondContact O-N 3.27Å
35	L	40.7	Very low	48.2	Very low	73 Å²	73	102.2 Å²	102.2	38%	0.382	54%	0.542	S	S	.	.			trans	-79.5	-1.2	-172.1	-91.6	95.7	0	0	0	115.7	S37 M39	L35-S37 VanDerWaalsContact C-N 3.26Å; L35-S37 PolarHBondContact O-N 2.7Å; L35-M39 HydrophobicContact CB-CE 4.42Å; L35-M39 HydrophobicContact CD2-CE 3.63Å
36	N	38.2	Very low	49.4	Very low	149 Å²	149	104.2 Å²	104.2	80%	0.797	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	19.5	-170.1	-121.8	16.2	0	0	0	116.4	R34	R34-N36 VanDerWaalsContact C-N 3.3Å; R34-N36 PolarHBondContact O-N 3.27Å
37	S	42.9	Very low	50.6	Low	100 Å²	100	105.5 Å²	105.5	70%	0.699	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	1.2	-173	50.7	0	0	0	0	117.2	L35	L35-S37 VanDerWaalsContact C-N 3.26Å; L35-S37 PolarHBondContact O-N 2.7Å
38	T	42.7	Very low	52	Low	122 Å²	122	103.5 Å²	103.5	75%	0.748	55%	0.545	S	S	*	.			trans	-153.3	80.6	-178.1	21.5	0	0	0	0	111.7
39	M	45.3	Very low	53.6	Low	86 Å²	86	104.6 Å²	104.6	42%	0.424	55%	0.548	S	S	.	.			trans	-141.6	114.2	177.6	-72.1	-160.6	174.4	0	0	116	L35 N43 L46	L35-M39 HydrophobicContact CB-CE 4.42Å; L35-M39 HydrophobicContact CD2-CE 3.63Å; M39-N43 WeakPolarHBondContact CA-ND2 3.43Å; M39-N43 HydrophobicContact CB-CB 4.09Å; M39-N43 WeakPolarHBondContact CB-ND2 3.28Å; M39-N43 HydrophobicContact CG-CB 4.08Å; M39-N43 WeakPolarHBondContact CG-ND2 3.39Å; M39-N43 HydrophobicContact SD-CB 3.68Å; M39-L46 HydrophobicContact CE-CD2 3.61Å
40	G	40.1	Very low	55.1	Low	55 Å²	55	103.3 Å²	103.3	57%	0.567	54%	0.538	S	S	*	.			trans	-102.1	-168.9	164	0	0	0	0	0	113.1	E42 N43	G40-E42 VanDerWaalsContact C-N 3.34Å; G40-E42 PolarHBondContact O-N 2.9Å; G40-E42 VanDerWaalsContact O-N 3.17Å; G40-N43 PolarHBondContact N-ND2 3.27Å; G40-N43 VanDerWaalsContact O-CB 3.31Å; G40-N43 WeakPolarHBondContact O-CB 3.4Å; G40-N43 PolarHBondContact O-N 2.72Å; G40-N43 VanDerWaalsContact O-N 3.09Å; G40-N43 PolarHBondContact O-ND2 3.01Å
41	I	47.8	Very low	57	Low	164 Å²	164	102.2 Å²	102.2	84%	0.841	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22	-161.5	-63.4	171.6	0	0	0	115.6	N43	I41-N43 PolarHBondContact O-N 2.9Å; I41-N43 VanDerWaalsContact O-N 3.08Å
42	E	48.9	Very low	59	Low	191 Å²	191	102.7 Å²	102.7	89%	0.893	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-66.8	-2.6	171.2	-81.7	-177.1	158.2	0	0	114.1	G40	G40-E42 VanDerWaalsContact C-N 3.34Å; G40-E42 PolarHBondContact O-N 2.9Å; G40-E42 VanDerWaalsContact O-N 3.17Å
43	N	62.1	Low	60.9	Low	32 Å²	32	106.6 Å²	106.6	17%	0.171	54%	0.54	C	S	.	.	G	3₁₀ helix	trans	-91	-5.9	-177.7	-70.7	-60.9	0	0	0	115.8	M39 G40 I41 E45 L46 I47	M39-N43 WeakPolarHBondContact CA-ND2 3.43Å; M39-N43 HydrophobicContact CB-CB 4.09Å; M39-N43 WeakPolarHBondContact CB-ND2 3.28Å; M39-N43 HydrophobicContact CG-CB 4.08Å; M39-N43 WeakPolarHBondContact CG-ND2 3.39Å; M39-N43 HydrophobicContact SD-CB 3.68Å; G40-N43 PolarHBondContact N-ND2 3.27Å; G40-N43 VanDerWaalsContact O-CB 3.31Å; G40-N43 WeakPolarHBondContact O-CB 3.4Å; G40-N43 PolarHBondContact O-N 2.72Å; G40-N43 VanDerWaalsContact O-N 3.09Å; G40-N43 PolarHBondContact O-ND2 3.01Å; I41-N43 PolarHBondContact O-N 2.9Å; I41-N43 VanDerWaalsContact O-N 3.08Å; N43-E45 VanDerWaalsContact C-N 3.34Å; N43-E45 PolarHBondContact O-N 2.79Å; N43-L46 PolarHBondContact O-N 3.41Å; N43-L46 VanDerWaalsContact O-N 3.17Å; N43-I47 HydrophobicContact CB-CD1 4.21Å; N43-I47 WeakPolarHBondContact O-CB 3.16Å; N43-I47 VanDerWaalsContact O-CG1 3.25Å; N43-I47 WeakPolarHBondContact O-CG1 3.36Å; N43-I47 PolarHBondContact O-N 2.78Å
44	V	65.4	Low	62.9	Low	90 Å²	90	99 Å²	99	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-44.6	-176.6	179.5	0	0	0	0	111.2	L46 I47 I48	V44-L46 VanDerWaalsContact C-N 3.35Å; V44-L46 PolarHBondContact O-N 3.23Å; V44-I47 PolarHBondContact O-N 3.42Å; V44-I48 HydrophobicContact CG1-CD1 3.88Å; V44-I48 VanDerWaalsContact O-CG1 3.24Å; V44-I48 WeakPolarHBondContact O-CG1 3.37Å; V44-I48 PolarHBondContact O-N 2.76Å
45	E	75.3	Confident	65.1	Low	125 Å²	125	92.8 Å²	92.8	58%	0.584	49%	0.486	S	S	*	.	H	α-helix	trans	-66.1	-37.3	177.3	-165.9	-175.3	160.2	0	0	112	N43 I48 K49	N43-E45 VanDerWaalsContact C-N 3.34Å; N43-E45 PolarHBondContact O-N 2.79Å; E45-I48 PolarHBondContact O-N 3.37Å; E45-K49 WeakPolarHBondContact O-CB 3.18Å; E45-K49 WeakPolarHBondContact O-CG 3.5Å; E45-K49 PolarHBondContact O-N 2.63Å; E45-K49 WeakPolarHBondContact OE1-CE 3.24Å; E45-K49 IonicContact OE1-NZ 3.68Å; E45-K49 PolarHBondContact OE1-NZ 2.81Å
46	L	74.5	Confident	67.4	Low	74 Å²	74	94.7 Å²	94.7	39%	0.387	50%	0.497	S	S	.	.	H	α-helix	trans	-64.5	-44.1	176.6	-175.6	66.6	0	0	0	111.2	M39 N43 V44 K49 Q50	M39-L46 HydrophobicContact CE-CD2 3.61Å; N43-L46 PolarHBondContact O-N 3.41Å; N43-L46 VanDerWaalsContact O-N 3.17Å; V44-L46 VanDerWaalsContact C-N 3.35Å; V44-L46 PolarHBondContact O-N 3.23Å; L46-K49 PolarHBondContact O-N 2.82Å; L46-Q50 WeakPolarHBondContact O-CB 3.29Å; L46-Q50 VanDerWaalsContact O-CG 3.27Å; L46-Q50 WeakPolarHBondContact O-CG 3.2Å; L46-Q50 PolarHBondContact O-N 3.29Å
47	I	73	Confident	69.7	Low	70 Å²	70	88.4 Å²	88.4	36%	0.359	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-42.7	177	-67.4	165.1	0	0	0	110.5	N43 V44 Q50 K51	N43-I47 HydrophobicContact CB-CD1 4.21Å; N43-I47 WeakPolarHBondContact O-CB 3.16Å; N43-I47 VanDerWaalsContact O-CG1 3.25Å; N43-I47 WeakPolarHBondContact O-CG1 3.36Å; N43-I47 PolarHBondContact O-N 2.78Å; V44-I47 PolarHBondContact O-N 3.42Å; I47-Q50 PolarHBondContact O-N 3.12Å; I47-K51 WeakPolarHBondContact O-CB 3.22Å; I47-K51 PolarHBondContact O-N 2.97Å
48	I	79	Confident	71.9	Confident	86 Å²	86	83.7 Å²	83.7	44%	0.441	43%	0.433	S	S	.	.	H	α-helix	trans	-60.3	-48.5	176	-69.5	166.1	0	0	0	110.5	V44 E45 Q50 K51 E52	V44-I48 HydrophobicContact CG1-CD1 3.88Å; V44-I48 VanDerWaalsContact O-CG1 3.24Å; V44-I48 WeakPolarHBondContact O-CG1 3.37Å; V44-I48 PolarHBondContact O-N 2.76Å; E45-I48 PolarHBondContact O-N 3.37Å; I48-Q50 VanDerWaalsContact C-N 3.3Å; I48-Q50 PolarHBondContact O-N 3.37Å; I48-K51 WeakPolarHBondContact O-CB 3.23Å; I48-K51 PolarHBondContact O-N 2.99Å; I48-E52 PolarHBondContact O-N 2.99Å
49	K	80.3	Confident	74.1	Confident	107 Å²	107	81.9 Å²	81.9	47%	0.465	42%	0.415	S	S	.	.	H	α-helix	trans	-61.2	-38.1	177.2	-75.9	177	-176.8	166	0	112.4	E45 L46 K53	E45-K49 WeakPolarHBondContact O-CB 3.18Å; E45-K49 WeakPolarHBondContact O-CG 3.5Å; E45-K49 PolarHBondContact O-N 2.63Å; E45-K49 WeakPolarHBondContact OE1-CE 3.24Å; E45-K49 IonicContact OE1-NZ 3.68Å; E45-K49 PolarHBondContact OE1-NZ 2.81Å; L46-K49 PolarHBondContact O-N 2.82Å; K49-K53 WeakPolarHBondContact O-CG 3.35Å; K49-K53 PolarHBondContact O-N 3.1Å; K49-K53 VanDerWaalsContact O-N 3.14Å
50	Q	79.9	Confident	76	Confident	31 Å²	31	80 Å²	80	15%	0.145	41%	0.414	C	S	.	.	H	α-helix	trans	-66.1	-43.3	175.6	-74.9	179.9	-2	0	0	111.8	F32 L46 I47 I48 E52 K53 L54	F32-Q50 HydrophobicContact CE1-CG 4.07Å; L46-Q50 WeakPolarHBondContact O-CB 3.29Å; L46-Q50 VanDerWaalsContact O-CG 3.27Å; L46-Q50 WeakPolarHBondContact O-CG 3.2Å; L46-Q50 PolarHBondContact O-N 3.29Å; I47-Q50 PolarHBondContact O-N 3.12Å; I48-Q50 VanDerWaalsContact C-N 3.3Å; I48-Q50 PolarHBondContact O-N 3.37Å; Q50-E52 PolarHBondContact O-N 2.87Å; Q50-K53 PolarHBondContact O-N 3.35Å; Q50-L54 WeakPolarHBondContact O-CB 3.31Å; Q50-L54 PolarHBondContact O-N 3.49Å
51	K	82.6	Confident	78.2	Confident	63 Å²	63	78 Å²	78	27%	0.274	39%	0.39	S	S	.	.	H	α-helix	trans	-59.4	-44.9	176.5	174.1	176.4	167.5	174.3	0	111.9	I47 I48 L54 K55 V89 D90	I47-K51 WeakPolarHBondContact O-CB 3.22Å; I47-K51 PolarHBondContact O-N 2.97Å; I48-K51 WeakPolarHBondContact O-CB 3.23Å; I48-K51 PolarHBondContact O-N 2.99Å; K51-L54 PolarHBondContact O-N 3.24Å; K51-K55 WeakPolarHBondContact O-CG 3.32Å; K51-K55 PolarHBondContact O-N 3.22Å; K51-V89 HydrophobicContact CB-CG1 4.17Å; K51-D90 VanDerWaalsContact CE-CG 3.47Å; K51-D90 WeakPolarHBondContact CE-OD1 3.46Å; K51-D90 WeakPolarHBondContact CE-OD2 3.45Å; K51-D90 IonicContact NZ-OD1 3.56Å; K51-D90 PolarHBondContact NZ-OD1 2.86Å; K51-D90 IonicContact NZ-OD2 2.77Å
52	E	86.8	Confident	80.1	Confident	115 Å²	115	71.6 Å²	71.6	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-48.4	177.5	-72.9	177.7	168.1	0	0	111.7	I48 Q50 L54 K55 D56	I48-E52 PolarHBondContact O-N 2.99Å; Q50-E52 PolarHBondContact O-N 2.87Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 2.95Å; E52-K55 WeakPolarHBondContact O-CB 3.36Å; E52-K55 PolarHBondContact O-N 3.5Å; E52-K55 VanDerWaalsContact O-N 3.16Å; E52-D56 PolarHBondContact O-N 3.25Å
53	K	86.4	Confident	81.7	Confident	127 Å²	127	70.2 Å²	70.2	55%	0.552	35%	0.348	S	S	*	.	H	α-helix	trans	-56.7	-41	176.1	-76.7	-176.5	173.6	-165.3	0	113	K49 Q50 D56 A57	K49-K53 WeakPolarHBondContact O-CG 3.35Å; K49-K53 PolarHBondContact O-N 3.1Å; K49-K53 VanDerWaalsContact O-N 3.14Å; Q50-K53 PolarHBondContact O-N 3.35Å; K53-D56 PolarHBondContact O-N 2.91Å; K53-A57 WeakPolarHBondContact O-CB 3.13Å; K53-A57 PolarHBondContact O-N 2.98Å
54	L	86.7	Confident	82.6	Confident	18 Å²	18	70.2 Å²	70.2	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-68.5	-38.8	-179	-167.8	66	0	0	0	111.6	Q50 K51 E52 A57 L58 L82 Y85 M86 V89	Q50-L54 WeakPolarHBondContact O-CB 3.31Å; Q50-L54 PolarHBondContact O-N 3.49Å; K51-L54 PolarHBondContact O-N 3.24Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 2.95Å; L54-A57 PolarHBondContact O-N 3.25Å; L54-L58 PolarHBondContact O-N 2.89Å; L54-L82 HydrophobicContact CD1-CD2 3.31Å; L54-L82 HydrophobicContact CG-CD2 4.4Å; L54-Y85 HydrophobicContact CD1-CD1 3.91Å; L54-Y85 HydrophobicContact CD1-CE1 4.4Å; L54-Y85 HydrophobicContact CD2-CD1 3.39Å; L54-Y85 HydrophobicContact CD2-CE1 3.86Å; L54-Y85 HydrophobicContact CD2-CG 4.45Å; L54-Y85 HydrophobicContact CG-CD1 4.33Å; L54-M86 HydrophobicContact CB-SD 3.88Å; L54-M86 HydrophobicContact CD2-CG 3.92Å; L54-M86 HydrophobicContact CD2-SD 3.19Å; L54-M86 WeakPolarHBondContact CD2-SD 3.48Å; L54-M86 HydrophobicContact CG-CG 4.19Å; L54-M86 HydrophobicContact CG-SD 3.39Å; L54-M86 WeakPolarHBondContact CG-SD 3.27Å; L54-V89 HydrophobicContact CD2-CB 4.44Å; L54-V89 HydrophobicContact CD2-CG2 4.27Å
55	K	88.8	Confident	83.2	Confident	70 Å²	70	73.9 Å²	73.9	30%	0.304	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-44.8	172.1	-73.4	-178.3	178.4	-166.6	0	111.4	K51 E52 A57 L58 H59 M86 D90	K51-K55 WeakPolarHBondContact O-CG 3.32Å; K51-K55 PolarHBondContact O-N 3.22Å; E52-K55 WeakPolarHBondContact O-CB 3.36Å; E52-K55 PolarHBondContact O-N 3.5Å; E52-K55 VanDerWaalsContact O-N 3.16Å; K55-A57 PolarHBondContact O-N 2.86Å; K55-L58 PolarHBondContact O-N 2.82Å; K55-H59 PolarHBondContact O-CD2 2.99Å; K55-H59 VanDerWaalsContact O-CD2 3.23Å; K55-H59 PolarHBondContact O-N 3.47Å; K55-M86 HydrophobicContact CD-CE 4.34Å; K55-M86 HydrophobicContact CG-CE 3.66Å; K55-M86 HydrophobicContact CG-SD 4.32Å; K55-D90 IonicContact NZ-OD2 3.41Å
56	D	88.7	Confident	83.2	Confident	114 Å²	114	68.6 Å²	68.6	61%	0.61	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-41.2	178.7	-69.8	-22	0	0	0	111.9	E52 K53 H59 A60	E52-D56 PolarHBondContact O-N 3.25Å; K53-D56 PolarHBondContact O-N 2.91Å; D56-H59 PolarHBondContact O-N 3.16Å; D56-A60 WeakPolarHBondContact O-CB 3.3Å; D56-A60 PolarHBondContact O-N 3.46Å
57	A	87	Confident	83	Confident	16 Å²	16	69.4 Å²	69.4	13%	0.132	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-44	175.7	0	0	0	0	0	112.1	K53 L54 K55 A60 L61	K53-A57 WeakPolarHBondContact O-CB 3.13Å; K53-A57 PolarHBondContact O-N 2.98Å; L54-A57 PolarHBondContact O-N 3.25Å; K55-A57 PolarHBondContact O-N 2.86Å; A57-A60 PolarHBondContact O-N 3.48Å; A57-L61 PolarHBondContact O-N 3.25Å; A57-L61 VanDerWaalsContact O-N 3.07Å
58	L	88.5	Confident	82.8	Confident	2 Å²	2	68 Å²	68	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-48.2	175.6	-179.3	63.1	0	0	0	111.3	L54 K55 A60 L61 E62 I79 L82 C106	L54-L58 PolarHBondContact O-N 2.89Å; K55-L58 PolarHBondContact O-N 2.82Å; L58-A60 PolarHBondContact O-N 2.96Å; L58-L61 PolarHBondContact O-N 3.44Å; L58-E62 WeakPolarHBondContact O-CG 3.21Å; L58-E62 PolarHBondContact O-N 3.46Å; L58-E62 VanDerWaalsContact O-N 3.07Å; L58-I79 HydrophobicContact CD1-CG1 4.45Å; L58-I79 HydrophobicContact CD1-CG2 4.07Å; L58-L82 HydrophobicContact CD1-CB 4.32Å; L58-C106 HydrophobicContact CD1-CB 4.27Å; L58-C106 HydrophobicContact CD2-CB 4.35Å
59	H	88.4	Confident	82.4	Confident	83 Å²	83	69.5 Å²	69.5	38%	0.384	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-31.6	176.4	-89.1	-102.9	0	0	0	113.1	K55 D56 K63 R108	K55-H59 PolarHBondContact O-CD2 2.99Å; K55-H59 VanDerWaalsContact O-CD2 3.23Å; K55-H59 PolarHBondContact O-N 3.47Å; D56-H59 PolarHBondContact O-N 3.16Å; H59-K63 WeakPolarHBondContact O-CG 3.42Å; H59-R108 PolarHBondContact CD2-NH2 3.18Å; H59-R108 PolarHBondContact CE1-NH2 2.95Å; H59-R108 VanDerWaalsContact CE1-NH2 3.28Å; H59-R108 PolarHBondContact NE2-NE 3.49Å; H59-R108 PolarHBondContact NE2-NH2 3.24Å
60	A	86.1	Confident	82.2	Confident	47 Å²	47	71.4 Å²	71.4	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-69.9	-46.9	176.9	0	0	0	0	0	111.3	D56 A57 L58 E62 K63 I64	D56-A60 WeakPolarHBondContact O-CB 3.3Å; D56-A60 PolarHBondContact O-N 3.46Å; A57-A60 PolarHBondContact O-N 3.48Å; L58-A60 PolarHBondContact O-N 2.96Å; A60-E62 VanDerWaalsContact C-N 3.34Å; A60-E62 PolarHBondContact O-N 3.48Å; A60-K63 PolarHBondContact O-N 3.38Å; A60-I64 WeakPolarHBondContact O-CG1 3.32Å
61	L	86.4	Confident	82	Confident	13 Å²	13	74.3 Å²	74.3	7%	0.068	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-40.4	176.9	-71.4	172.6	0	0	0	112.4	A57 L58 K63 I64 D78 I79 L82	A57-L61 PolarHBondContact O-N 3.25Å; A57-L61 VanDerWaalsContact O-N 3.07Å; L58-L61 PolarHBondContact O-N 3.44Å; L61-K63 PolarHBondContact O-N 3.45Å; L61-K63 VanDerWaalsContact O-N 3.09Å; L61-I64 HydrophobicContact CD2-CD1 3.83Å; L61-I64 PolarHBondContact O-N 2.9Å; L61-I64 VanDerWaalsContact O-N 3.1Å; L61-D78 HydrophobicContact CD1-CB 4Å; L61-I79 HydrophobicContact CB-CD1 4.4Å; L61-I79 HydrophobicContact CB-CG1 3.98Å; L61-I79 HydrophobicContact CD1-CG1 4.3Å; L61-L82 HydrophobicContact CD1-CD1 3.23Å
62	E	86.6	Confident	81.7	Confident	29 Å²	29	72 Å²	72	14%	0.136	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.3	178.5	-74.1	174.6	166	0	0	113.3	L58 A60 I79 R108 Y123	L58-E62 WeakPolarHBondContact O-CG 3.21Å; L58-E62 PolarHBondContact O-N 3.46Å; L58-E62 VanDerWaalsContact O-N 3.07Å; A60-E62 VanDerWaalsContact C-N 3.34Å; A60-E62 PolarHBondContact O-N 3.48Å; E62-I79 HydrophobicContact CG-CD1 4.43Å; E62-R108 IonicContact OE1-NH2 3.81Å; E62-R108 IonicContact OE2-CZ 3.67Å; E62-R108 IonicContact OE2-NH1 3.68Å; E62-R108 IonicContact OE2-NH2 2.62Å; E62-R108 PolarHBondContact OE2-NH2 2.9Å; E62-Y123 HydrophobicContact CB-CE1 4.31Å; E62-Y123 HydrophobicContact CG-CE1 4.33Å; E62-Y123 WeakPolarHBondContact O-CD1 3.31Å
63	K	83.5	Confident	81.4	Confident	163 Å²	163	68.8 Å²	68.8	71%	0.709	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.8	179.8	-69.9	-179.4	-179.8	-179.5	0	114.3	H59 A60 L61	H59-K63 WeakPolarHBondContact O-CG 3.42Å; A60-K63 PolarHBondContact O-N 3.38Å; L61-K63 PolarHBondContact O-N 3.45Å; L61-K63 VanDerWaalsContact O-N 3.09Å
64	I	81	Confident	81.3	Confident	32 Å²	32	67.6 Å²	67.6	16%	0.164	35%	0.354	C	S	.	.			trans	-73.3	133	-178.7	-59.8	178.5	0	0	0	109.4	A22 A60 L61 I75 Y123	A22-I64 HydrophobicContact CB-CD1 4.12Å; A60-I64 WeakPolarHBondContact O-CG1 3.32Å; L61-I64 HydrophobicContact CD2-CD1 3.83Å; L61-I64 PolarHBondContact O-N 2.9Å; L61-I64 VanDerWaalsContact O-N 3.1Å; I64-I75 HydrophobicContact CB-CD1 4.07Å; I64-I75 HydrophobicContact CG2-CD1 3.64Å; I64-Y123 WeakPolarHBondContact O-CB 3.31Å
65	K	77.1	Confident	81.2	Confident	167 Å²	167	67.4 Å²	67.4	73%	0.726	35%	0.353	S	S	*	.			trans	-98.8	111.2	169	-170.8	179.6	-179.6	-174.8	0	108.6	V122	K65-V122 HydrophobicContact CB-CG1 4.27Å; K65-V122 HydrophobicContact CG-CG1 4.34Å
66	P	76.9	Confident	81.1	Confident	13 Å²	13	66 Å²	66	8%	0.084	35%	0.348	C	S	.	.			trans	-69.2	149.1	-178.5	25.1	-30.1	0	0	0	111.4	E71 T72 I75 Y123	P66-E71 HydrophobicContact CB-CB 3.89Å; P66-T72 WeakPolarHBondContact CB-OG1 3.48Å; P66-T72 HydrophobicContact CG-CG2 4.48Å; P66-T72 WeakPolarHBondContact CG-OG1 3.39Å; P66-I75 HydrophobicContact CB-CD1 3.98Å; P66-I75 HydrophobicContact CG-CD1 4.41Å; P66-Y123 VanDerWaalsContact CD-CA 3.46Å; P66-Y123 VanDerWaalsContact CG-O 3.28Å; P66-Y123 WeakPolarHBondContact CG-O 3.35Å
67	A	70.3	Confident	81	Confident	92 Å²	92	65.4 Å²	65.4	76%	0.76	35%	0.345	S	S	*	.	S	Bend	trans	-92	-24.2	173.6	0	0	0	0	0	112.4	E71	A67-E71 WeakPolarHBondContact CA-OE2 3.34Å; A67-E71 WeakPolarHBondContact CB-OE2 3.38Å; A67-E71 PolarHBondContact N-OE2 2.92Å
68	S	68.5	Low	81	Confident	40 Å²	40	66.9 Å²	66.9	28%	0.28	35%	0.351	S	S	.	.	S	Bend	trans	-134.9	161.6	-178	68.6	0	0	0	0	113	E70 E71 T72	S68-E70 PolarHBondContact O-N 3.43Å; S68-E71 PolarHBondContact N-OE2 2.94Å; S68-E71 WeakPolarHBondContact O-CB 3.46Å; S68-E71 PolarHBondContact O-N 2.68Å; S68-E71 WeakPolarHBondContact OG-CB 3.48Å; S68-E71 VanDerWaalsContact OG-CG 3.32Å; S68-E71 WeakPolarHBondContact OG-CG 3.46Å; S68-E71 PolarHBondContact OG-N 3.33Å; S68-E71 VanDerWaalsContact OG-N 3.09Å; S68-T72 PolarHBondContact O-N 3.15Å; S68-T72 PolarHBondContact O-OG1 3.25Å; S68-T72 VanDerWaalsContact O-OG1 3.08Å
69	K	70.2	Confident	81.1	Confident	117 Å²	117	66.8 Å²	66.8	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-33.6	175	-71.7	-169.8	175.6	-167.2	0	112	T72 A73	K69-T72 PolarHBondContact O-N 2.79Å; K69-A73 WeakPolarHBondContact O-CB 3.48Å; K69-A73 PolarHBondContact O-N 3.26Å
70	E	75.4	Confident	81.1	Confident	147 Å²	147	64.3 Å²	64.3	69%	0.687	34%	0.343	S	S	*	.	H	α-helix	trans	-63.7	-42.8	175.1	-69	70.5	-157.4	0	0	110.7	S68 A73 Q74	S68-E70 PolarHBondContact O-N 3.43Å; E70-A73 PolarHBondContact O-N 3.47Å; E70-Q74 PolarHBondContact O-N 3.24Å
71	E	76.7	Confident	81.1	Confident	92 Å²	92	64.8 Å²	64.8	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-43.2	172.5	-77.6	172.1	-166.4	0	0	112.4	P66 A67 S68 A73 Q74 I75	P66-E71 HydrophobicContact CB-CB 3.89Å; A67-E71 WeakPolarHBondContact CA-OE2 3.34Å; A67-E71 WeakPolarHBondContact CB-OE2 3.38Å; A67-E71 PolarHBondContact N-OE2 2.92Å; S68-E71 PolarHBondContact N-OE2 2.94Å; S68-E71 WeakPolarHBondContact O-CB 3.46Å; S68-E71 PolarHBondContact O-N 2.68Å; S68-E71 WeakPolarHBondContact OG-CB 3.48Å; S68-E71 VanDerWaalsContact OG-CG 3.32Å; S68-E71 WeakPolarHBondContact OG-CG 3.46Å; S68-E71 PolarHBondContact OG-N 3.33Å; S68-E71 VanDerWaalsContact OG-N 3.09Å; E71-A73 VanDerWaalsContact C-N 3.28Å; E71-A73 PolarHBondContact O-N 3.22Å; E71-Q74 WeakPolarHBondContact O-CB 3.44Å; E71-Q74 PolarHBondContact O-N 3.37Å; E71-Q74 VanDerWaalsContact O-N 3.12Å; E71-I75 WeakPolarHBondContact O-CG1 3.28Å; E71-I75 PolarHBondContact O-N 2.83Å
72	T	75.8	Confident	81.2	Confident	16 Å²	16	64.8 Å²	64.8	10%	0.098	35%	0.347	C	S	.	.	H	α-helix	trans	-56.3	-44.6	174.4	-55.5	0	0	0	0	111.4	P66 S68 K69 Q74 I75 L76 Y123	P66-T72 WeakPolarHBondContact CB-OG1 3.48Å; P66-T72 HydrophobicContact CG-CG2 4.48Å; P66-T72 WeakPolarHBondContact CG-OG1 3.39Å; S68-T72 PolarHBondContact O-N 3.15Å; S68-T72 PolarHBondContact O-OG1 3.25Å; S68-T72 VanDerWaalsContact O-OG1 3.08Å; K69-T72 PolarHBondContact O-N 2.79Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; T72-I75 PolarHBondContact O-N 3.27Å; T72-L76 HydrophobicContact CG2-CD1 4.06Å; T72-L76 WeakPolarHBondContact O-CB 3.46Å; T72-L76 WeakPolarHBondContact O-CG 3.12Å; T72-L76 PolarHBondContact O-N 3.07Å; T72-Y123 WeakPolarHBondContact CG2-O 3.42Å
73	A	81.6	Confident	81.4	Confident	47 Å²	47	63.5 Å²	63.5	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-65.1	-38.5	177.5	0	0	0	0	0	112.1	K69 E70 E71 N77	K69-A73 WeakPolarHBondContact O-CB 3.48Å; K69-A73 PolarHBondContact O-N 3.26Å; E70-A73 PolarHBondContact O-N 3.47Å; E71-A73 VanDerWaalsContact C-N 3.28Å; E71-A73 PolarHBondContact O-N 3.22Å; A73-N77 VanDerWaalsContact O-CG 3.26Å; A73-N77 PolarHBondContact O-N 3.21Å; A73-N77 VanDerWaalsContact O-N 3.09Å; A73-N77 PolarHBondContact O-ND2 2.77Å; A73-N77 VanDerWaalsContact O-ND2 3.16Å
74	Q	83.8	Confident	81.6	Confident	102 Å²	102	60.3 Å²	60.3	48%	0.477	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-48.5	176.5	-174.9	58.2	34.3	0	0	111.6	E70 E71 T72 L76 N77 D78	E70-Q74 PolarHBondContact O-N 3.24Å; E71-Q74 WeakPolarHBondContact O-CB 3.44Å; E71-Q74 PolarHBondContact O-N 3.37Å; E71-Q74 VanDerWaalsContact O-N 3.12Å; T72-Q74 VanDerWaalsContact C-N 3.34Å; Q74-L76 VanDerWaalsContact C-N 3.31Å; Q74-L76 PolarHBondContact O-N 3.13Å; Q74-N77 WeakPolarHBondContact O-CB 3.46Å; Q74-N77 PolarHBondContact O-N 3.4Å; Q74-N77 VanDerWaalsContact O-N 3.13Å; Q74-D78 PolarHBondContact NE2-OD1 3.27Å; Q74-D78 VanDerWaalsContact NE2-OD1 3.1Å; Q74-D78 PolarHBondContact NE2-OD2 3.48Å; Q74-D78 PolarHBondContact O-N 3.41Å
75	I	84.5	Confident	81.8	Confident	14 Å²	14	61.6 Å²	61.6	7%	0.072	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-43.5	177.3	-67.2	166.1	0	0	0	110.8	I64 P66 E71 T72 N77 D78 I79 Y123	I64-I75 HydrophobicContact CB-CD1 4.07Å; I64-I75 HydrophobicContact CG2-CD1 3.64Å; P66-I75 HydrophobicContact CB-CD1 3.98Å; P66-I75 HydrophobicContact CG-CD1 4.41Å; E71-I75 WeakPolarHBondContact O-CG1 3.28Å; E71-I75 PolarHBondContact O-N 2.83Å; T72-I75 PolarHBondContact O-N 3.27Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.36Å; I75-D78 PolarHBondContact O-N 3.39Å; I75-I79 HydrophobicContact CG2-CD1 3.71Å; I75-I79 HydrophobicContact CG2-CG1 4.31Å; I75-I79 WeakPolarHBondContact O-CB 3.23Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 3.21Å; I75-Y123 HydrophobicContact CG2-CD2 4.36Å; I75-Y123 HydrophobicContact CG2-CG 4.09Å
76	L	85.9	Confident	82.3	Confident	39 Å²	39	53.6 Å²	53.6	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-40.9	176.8	-79.4	165.2	0	0	0	112.5	T72 Q74 S80 F101 Y123	T72-L76 HydrophobicContact CG2-CD1 4.06Å; T72-L76 WeakPolarHBondContact O-CB 3.46Å; T72-L76 WeakPolarHBondContact O-CG 3.12Å; T72-L76 PolarHBondContact O-N 3.07Å; Q74-L76 VanDerWaalsContact C-N 3.31Å; Q74-L76 PolarHBondContact O-N 3.13Å; L76-S80 WeakPolarHBondContact O-CB 3.27Å; L76-S80 PolarHBondContact O-N 2.85Å; L76-F101 HydrophobicContact CD2-CZ 4.06Å; L76-Y123 HydrophobicContact CD2-CD2 4.23Å; L76-Y123 HydrophobicContact CD2-CE2 3.76Å; L76-Y123 HydrophobicContact CG-CD2 4.47Å; L76-Y123 HydrophobicContact CG-CE2 4.46Å
77	N	86.8	Confident	82.7	Confident	102 Å²	102	55.3 Å²	55.3	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-41.4	176.4	-71.4	-31.1	0	0	0	111.8	A73 Q74 I75 S80 A81	A73-N77 VanDerWaalsContact O-CG 3.26Å; A73-N77 PolarHBondContact O-N 3.21Å; A73-N77 VanDerWaalsContact O-N 3.09Å; A73-N77 PolarHBondContact O-ND2 2.77Å; A73-N77 VanDerWaalsContact O-ND2 3.16Å; Q74-N77 WeakPolarHBondContact O-CB 3.46Å; Q74-N77 PolarHBondContact O-N 3.4Å; Q74-N77 VanDerWaalsContact O-N 3.13Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.36Å; N77-S80 WeakPolarHBondContact O-CB 3.37Å; N77-S80 PolarHBondContact O-N 2.93Å; N77-A81 PolarHBondContact O-N 3.4Å
78	D	88.1	Confident	83.3	Confident	47 Å²	47	56.7 Å²	56.7	25%	0.251	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-42.2	179.3	-66.7	-25.8	0	0	0	111.2	L61 Q74 I75 A81 L82	L61-D78 HydrophobicContact CD1-CB 4Å; Q74-D78 PolarHBondContact NE2-OD1 3.27Å; Q74-D78 VanDerWaalsContact NE2-OD1 3.1Å; Q74-D78 PolarHBondContact NE2-OD2 3.48Å; Q74-D78 PolarHBondContact O-N 3.41Å; I75-D78 PolarHBondContact O-N 3.39Å; D78-A81 PolarHBondContact O-N 2.86Å; D78-L82 WeakPolarHBondContact O-CB 3.22Å; D78-L82 WeakPolarHBondContact O-CG 3.31Å; D78-L82 PolarHBondContact O-N 2.89Å
79	I	89.4	Confident	84	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-45.8	172.9	-69.9	171.8	0	0	0	110.6	L58 L61 E62 I75 A81 L82 C83 F101 C106 Y123	L58-I79 HydrophobicContact CD1-CG1 4.45Å; L58-I79 HydrophobicContact CD1-CG2 4.07Å; L61-I79 HydrophobicContact CB-CD1 4.4Å; L61-I79 HydrophobicContact CB-CG1 3.98Å; L61-I79 HydrophobicContact CD1-CG1 4.3Å; E62-I79 HydrophobicContact CG-CD1 4.43Å; I75-I79 HydrophobicContact CG2-CD1 3.71Å; I75-I79 HydrophobicContact CG2-CG1 4.31Å; I75-I79 WeakPolarHBondContact O-CB 3.23Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.39Å; I75-I79 PolarHBondContact O-N 3.21Å; I79-A81 PolarHBondContact O-N 3.44Å; I79-L82 PolarHBondContact O-N 2.98Å; I79-C83 VanDerWaalsContact O-CB 3.3Å; I79-C83 WeakPolarHBondContact O-CB 3.19Å; I79-C83 PolarHBondContact O-N 3.43Å; I79-F101 HydrophobicContact CB-CE2 4.46Å; I79-F101 HydrophobicContact CG2-CD2 4.04Å; I79-F101 HydrophobicContact CG2-CE2 3.68Å; I79-C106 HydrophobicContact CG2-CB 3.97Å; I79-Y123 HydrophobicContact CD1-CD1 4.17Å; I79-Y123 HydrophobicContact CD1-CD2 4.42Å; I79-Y123 HydrophobicContact CD1-CE1 3.68Å; I79-Y123 HydrophobicContact CD1-CE2 3.97Å
80	S	88	Confident	84.6	Confident	32 Å²	32	51.1 Å²	51.1	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-56.9	-49.1	177.4	-170.9	0	0	0	0	111.4	L76 N77 L82 C83 D84 F101	L76-S80 WeakPolarHBondContact O-CB 3.27Å; L76-S80 PolarHBondContact O-N 2.85Å; N77-S80 WeakPolarHBondContact O-CB 3.37Å; N77-S80 PolarHBondContact O-N 2.93Å; S80-L82 PolarHBondContact O-N 3.18Å; S80-C83 PolarHBondContact O-N 3.03Å; S80-D84 PolarHBondContact O-N 3.33Å; S80-D84 VanDerWaalsContact O-N 3.09Å; S80-F101 VanDerWaalsContact CB-CE1 3.47Å; S80-F101 VanDerWaalsContact OG-CD1 3.32Å; S80-F101 WeakPolarHBondContact OG-CD1 3.39Å
81	A	87.3	Confident	84.8	Confident	56 Å²	56	49.8 Å²	49.8	46%	0.463	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-39.9	-178.1	0	0	0	0	0	112.5	N77 D78 I79 Y85	N77-A81 PolarHBondContact O-N 3.4Å; D78-A81 PolarHBondContact O-N 2.86Å; I79-A81 PolarHBondContact O-N 3.44Å; A81-Y85 WeakPolarHBondContact O-CB 3.24Å; A81-Y85 PolarHBondContact O-N 3.07Å; A81-Y85 VanDerWaalsContact O-N 3.12Å
82	L	89.2	Confident	85.1	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-40.1	175.4	-74.5	166.7	0	0	0	111.8	L54 L58 L61 D78 I79 S80 D84 Y85 M86	L54-L82 HydrophobicContact CD1-CD2 3.31Å; L54-L82 HydrophobicContact CG-CD2 4.4Å; L58-L82 HydrophobicContact CD1-CB 4.32Å; L61-L82 HydrophobicContact CD1-CD1 3.23Å; D78-L82 WeakPolarHBondContact O-CB 3.22Å; D78-L82 WeakPolarHBondContact O-CG 3.31Å; D78-L82 PolarHBondContact O-N 2.89Å; I79-L82 PolarHBondContact O-N 2.98Å; S80-L82 PolarHBondContact O-N 3.18Å; L82-D84 PolarHBondContact O-N 2.93Å; L82-Y85 PolarHBondContact O-N 3.11Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.11Å; L82-M86 PolarHBondContact O-N 2.91Å
83	C	89.8	Confident	85.5	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-61.1	-43.9	178	-154.3	0	0	0	0	111.6	I79 S80 M86 F101 C106	I79-C83 VanDerWaalsContact O-CB 3.3Å; I79-C83 WeakPolarHBondContact O-CB 3.19Å; I79-C83 PolarHBondContact O-N 3.43Å; S80-C83 PolarHBondContact O-N 3.03Å; C83-M86 PolarHBondContact O-N 3.18Å; C83-F101 HydrophobicContact CB-CB 4.12Å; C83-C106 VanDerWaalsContact CA-SG 3.59Å; C83-C106 HydrophobicContact CB-CB 3.79Å; C83-C106 WeakPolarHBondContact CB-SG 3.27Å; C83-C106 WeakPolarHBondContact SG-CB 3.3Å; C83-C106 CovalentContact SG-SG 2.04Å; C83-C106 PolarHBondContact SG-SG 2.98Å
84	D	88.1	Confident	85.6	Confident	96 Å²	96	52.1 Å²	52.1	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.6	-71.4	-23.9	0	0	0	111.9	S80 L82 N87	S80-D84 PolarHBondContact O-N 3.33Å; S80-D84 VanDerWaalsContact O-N 3.09Å; L82-D84 PolarHBondContact O-N 2.93Å; D84-N87 PolarHBondContact O-N 2.91Å
85	Y	84.9	Confident	85.9	Confident	59 Å²	59	51.8 Å²	51.8	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-69.9	-33.5	178.2	-169.2	-114.2	0	0	0	112.4	F32 L54 A81 L82 N87 I88 V89	F32-Y85 HydrophobicContact CB-CE1 4.44Å; L54-Y85 HydrophobicContact CD1-CD1 3.91Å; L54-Y85 HydrophobicContact CD1-CE1 4.4Å; L54-Y85 HydrophobicContact CD2-CD1 3.39Å; L54-Y85 HydrophobicContact CD2-CE1 3.86Å; L54-Y85 HydrophobicContact CD2-CG 4.45Å; L54-Y85 HydrophobicContact CG-CD1 4.33Å; A81-Y85 WeakPolarHBondContact O-CB 3.24Å; A81-Y85 PolarHBondContact O-N 3.07Å; A81-Y85 VanDerWaalsContact O-N 3.12Å; L82-Y85 PolarHBondContact O-N 3.11Å; Y85-N87 PolarHBondContact O-N 2.96Å; Y85-I88 HydrophobicContact CD2-CD1 4.42Å; Y85-I88 WeakPolarHBondContact O-CB 3.39Å; Y85-I88 PolarHBondContact O-N 3.22Å; Y85-V89 HydrophobicContact CD1-CG2 3.94Å; Y85-V89 HydrophobicContact CE1-CG2 3.49Å; Y85-V89 VanDerWaalsContact CE1-CG2 3.49Å; Y85-V89 HydrophobicContact CE2-CG2 4.26Å; Y85-V89 HydrophobicContact CG-CG2 4.47Å; Y85-V89 PolarHBondContact O-N 3.42Å
86	M	87.4	Confident	86.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-58.9	-33.1	174.5	-77.2	-64.1	-58.3	0	0	112.7	L54 K55 L82 C83 I88 V89 D90 Y99	L54-M86 HydrophobicContact CB-SD 3.88Å; L54-M86 HydrophobicContact CD2-CG 3.92Å; L54-M86 HydrophobicContact CD2-SD 3.19Å; L54-M86 WeakPolarHBondContact CD2-SD 3.48Å; L54-M86 HydrophobicContact CG-CG 4.19Å; L54-M86 HydrophobicContact CG-SD 3.39Å; L54-M86 WeakPolarHBondContact CG-SD 3.27Å; K55-M86 HydrophobicContact CD-CE 4.34Å; K55-M86 HydrophobicContact CG-CE 3.66Å; K55-M86 HydrophobicContact CG-SD 4.32Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.11Å; L82-M86 PolarHBondContact O-N 2.91Å; C83-M86 PolarHBondContact O-N 3.18Å; M86-I88 PolarHBondContact O-N 3.46Å; M86-V89 PolarHBondContact O-N 3.29Å; M86-D90 HydrophobicContact CE-CB 4.17Å; M86-D90 WeakPolarHBondContact O-CB 3.41Å; M86-D90 PolarHBondContact O-N 2.87Å; M86-Y99 HydrophobicContact CB-CD1 3.89Å; M86-Y99 HydrophobicContact CB-CD2 3.77Å; M86-Y99 HydrophobicContact CB-CE1 3.97Å; M86-Y99 HydrophobicContact CB-CE2 3.87Å; M86-Y99 HydrophobicContact CB-CG 3.81Å; M86-Y99 HydrophobicContact CE-CE1 3.87Å; M86-Y99 HydrophobicContact CE-CE2 3.91Å; M86-Y99 WeakPolarHBondContact CE-OH 3.42Å; M86-Y99 HydrophobicContact CG-CD1 4.42Å; M86-Y99 HydrophobicContact CG-CE1 4.2Å
87	N	86	Confident	86.5	Confident	49 Å²	49	52.8 Å²	52.8	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-23.3	174.8	-81.9	-38.6	0	0	0	113.9	D84 Y85 Y92 P98 Y99	D84-N87 PolarHBondContact O-N 2.91Å; Y85-N87 PolarHBondContact O-N 2.96Å; N87-Y92 PolarHBondContact OD1-OH 2.89Å; N87-P98 WeakPolarHBondContact OD1-CB 3.39Å; N87-Y99 PolarHBondContact ND2-O 3.22Å; N87-Y99 WeakPolarHBondContact OD1-CA 3.39Å; N87-Y99 VanDerWaalsContact OD1-CB 3.3Å; N87-Y99 WeakPolarHBondContact OD1-CB 3.18Å; N87-Y99 PolarHBondContact OD1-N 2.85Å
88	I	83.3	Confident	86.8	Confident	121 Å²	121	50 Å²	50	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-87.9	-40.8	-179.7	-58	171.6	0	0	0	110.4	Y85 M86	Y85-I88 HydrophobicContact CD2-CD1 4.42Å; Y85-I88 WeakPolarHBondContact O-CB 3.39Å; Y85-I88 PolarHBondContact O-N 3.22Å; M86-I88 PolarHBondContact O-N 3.46Å
89	V	82.1	Confident	87	Confident	26 Å²	26	48.3 Å²	48.3	16%	0.158	28%	0.283	C	S	.	.	H	α-helix	trans	-83.1	-35.4	-174.4	-179.5	0	0	0	0	112	K51 L54 Y85 M86	K51-V89 HydrophobicContact CB-CG1 4.17Å; L54-V89 HydrophobicContact CD2-CB 4.44Å; L54-V89 HydrophobicContact CD2-CG2 4.27Å; Y85-V89 HydrophobicContact CD1-CG2 3.94Å; Y85-V89 HydrophobicContact CE1-CG2 3.49Å; Y85-V89 VanDerWaalsContact CE1-CG2 3.49Å; Y85-V89 HydrophobicContact CE2-CG2 4.26Å; Y85-V89 HydrophobicContact CG-CG2 4.47Å; Y85-V89 PolarHBondContact O-N 3.42Å; M86-V89 PolarHBondContact O-N 3.29Å
90	D	82.4	Confident	87	Confident	14 Å²	14	50.2 Å²	50.2	8%	0.075	29%	0.291	C	S	.	.			trans	-96.6	103.4	-176.5	-160.6	0.4	0	0	0	110.8	K51 K55 M86 Y92 Y99	K51-D90 VanDerWaalsContact CE-CG 3.47Å; K51-D90 WeakPolarHBondContact CE-OD1 3.46Å; K51-D90 WeakPolarHBondContact CE-OD2 3.45Å; K51-D90 IonicContact NZ-OD1 3.56Å; K51-D90 PolarHBondContact NZ-OD1 2.86Å; K51-D90 IonicContact NZ-OD2 2.77Å; K55-D90 IonicContact NZ-OD2 3.41Å; M86-D90 HydrophobicContact CE-CB 4.17Å; M86-D90 WeakPolarHBondContact O-CB 3.41Å; M86-D90 PolarHBondContact O-N 2.87Å; D90-Y92 WeakPolarHBondContact O-CD1 3.39Å; D90-Y92 VanDerWaalsContact O-CE1 3.28Å; D90-Y92 WeakPolarHBondContact O-CE1 3.4Å; D90-Y99 HydrophobicContact CB-CE2 3.81Å; D90-Y99 PolarHBondContact OD2-OH 2.93Å
91	S	80	Confident	87.1	Confident	118 Å²	118	50.4 Å²	50.4	83%	0.825	29%	0.288	S	S	*	.			trans	-83	121.6	174.5	-176.2	0	0	0	0	110.6
92	Y	83	Confident	87.1	Confident	66 Å²	66	47.7 Å²	47.7	26%	0.259	27%	0.266	S	S	.	.			trans	-121.4	158.3	174.8	43.5	-90.3	0	0	0	111.3	N87 D90 P98 Y99 P109	N87-Y92 PolarHBondContact OD1-OH 2.89Å; D90-Y92 WeakPolarHBondContact O-CD1 3.39Å; D90-Y92 VanDerWaalsContact O-CE1 3.28Å; D90-Y92 WeakPolarHBondContact O-CE1 3.4Å; Y92-P98 HydrophobicContact CE2-CB 4.2Å; Y92-P98 WeakPolarHBondContact OH-CA 3.28Å; Y92-P98 WeakPolarHBondContact OH-CB 3.18Å; Y92-Y99 HydrophobicContact CE1-CD2 4.49Å; Y92-P109 HydrophobicContact CD1-CB 4.25Å; Y92-P109 HydrophobicContact CD1-CG 3.93Å; Y92-P109 HydrophobicContact CE1-CG 4.17Å; Y92-P109 HydrophobicContact CG-CB 4.34Å
93	P	84.9	Confident	87	Confident	64 Å²	64	55.2 Å²	55.2	42%	0.416	29%	0.293	S	S	.	.			trans	-61.7	151	176.9	-21.8	33.8	0	0	0	112.5	H95 Y96	P93-H95 WeakPolarHBondContact CB-CE1 3.31Å; P93-H95 WeakPolarHBondContact CB-ND1 3.18Å; P93-H95 PolarHBondContact O-N 3.5Å; P93-Y96 HydrophobicContact CB-CD2 4.04Å; P93-Y96 HydrophobicContact CB-CE2 4.36Å; P93-Y96 HydrophobicContact CG-CD2 4.12Å; P93-Y96 HydrophobicContact CG-CE2 4.1Å; P93-Y96 WeakPolarHBondContact O-CB 3.39Å; P93-Y96 PolarHBondContact O-N 2.91Å
94	G	83.1	Confident	86.8	Confident	74 Å²	74	55.6 Å²	55.6	76%	0.763	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-3.8	-178.1	0	0	0	0	0	116.4
95	H	89.8	Confident	86.8	Confident	95 Å²	95	51.1 Å²	51.1	44%	0.44	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	16	172.6	56.2	-85.7	0	0	0	112.6	P93 E111 A112	P93-H95 WeakPolarHBondContact CB-CE1 3.31Å; P93-H95 WeakPolarHBondContact CB-ND1 3.18Å; P93-H95 PolarHBondContact O-N 3.5Å; H95-E111 IonicContact CD2-OE1 2.67Å; H95-A112 WeakPolarHBondContact O-CB 3.32Å; H95-A112 PolarHBondContact O-N 3.29Å
96	Y	91.6	Very high	87.1	Confident	74 Å²	74	48.3 Å²	48.3	29%	0.29	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	146.7	175.1	-79.4	-116.8	0	0	0	110.1	P93 P109 V110 E111	P93-Y96 HydrophobicContact CB-CD2 4.04Å; P93-Y96 HydrophobicContact CB-CE2 4.36Å; P93-Y96 HydrophobicContact CG-CD2 4.12Å; P93-Y96 HydrophobicContact CG-CE2 4.1Å; P93-Y96 WeakPolarHBondContact O-CB 3.39Å; P93-Y96 PolarHBondContact O-N 2.91Å; Y96-P109 HydrophobicContact CD1-CB 4.43Å; Y96-V110 CarbonylContact C-O 3.56Å; Y96-V110 VanDerWaalsContact CA-O 3.29Å; Y96-V110 WeakPolarHBondContact CA-O 3.25Å; Y96-E111 HydrophobicContact CE1-CB 4.17Å; Y96-E111 HydrophobicContact CE2-CB 4.21Å; Y96-E111 HydrophobicContact CE2-CG 4.39Å
97	C	92.4	Very high	87.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	141.8	165.7	-75.7	0	0	0	0	110.4	P109 V110 C138 S142 T143 W144	C97-P109 WeakPolarHBondContact O-CA 3.47Å; C97-P109 VanDerWaalsContact O-CB 3.29Å; C97-P109 WeakPolarHBondContact O-CB 3.16Å; C97-V110 PolarHBondContact N-O 3.49Å; C97-C138 HydrophobicContact CB-CB 3.82Å; C97-C138 WeakPolarHBondContact CB-SG 3.33Å; C97-C138 VanDerWaalsContact SG-CA 3.5Å; C97-C138 WeakPolarHBondContact SG-CB 3.46Å; C97-C138 CovalentContact SG-SG 2.01Å; C97-C138 PolarHBondContact SG-SG 2.85Å; C97-S142 PolarHBondContact SG-O 3.35Å; C97-T143 VanDerWaalsContact SG-C 3.57Å; C97-W144 HydrophobicContact CB-CD2 3.92Å; C97-W144 VanDerWaalsContact CB-CE2 3.43Å; C97-W144 HydrophobicContact CB-CE3 4.39Å; C97-W144 HydrophobicContact CB-CG 4.47Å; C97-W144 HydrophobicContact CB-CH2 4.12Å; C97-W144 HydrophobicContact CB-CZ2 3.57Å; C97-W144 HydrophobicContact CB-CZ3 4.48Å
98	P	92.1	Very high	87.7	Confident	44 Å²	44	49.1 Å²	49.1	29%	0.286	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70.5	170.2	179.6	32.2	-38.6	0	0	0	112.7	N87 Y92 Y100 W144	N87-P98 WeakPolarHBondContact OD1-CB 3.39Å; Y92-P98 HydrophobicContact CE2-CB 4.2Å; Y92-P98 WeakPolarHBondContact OH-CA 3.28Å; Y92-P98 WeakPolarHBondContact OH-CB 3.18Å; P98-Y100 PolarHBondContact O-N 3.49Å; P98-W144 WeakPolarHBondContact O-CZ2 3.49Å; P98-W144 PolarHBondContact O-NE1 2.94Å
99	Y	92.1	Very high	88	Confident	11 Å²	11	44.8 Å²	44.8	4%	0.043	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57.1	135.7	163.4	-71.1	-97.5	0	0	0	109.3	M86 N87 D90 Y92 W107 R108 P109	M86-Y99 HydrophobicContact CB-CD1 3.89Å; M86-Y99 HydrophobicContact CB-CD2 3.77Å; M86-Y99 HydrophobicContact CB-CE1 3.97Å; M86-Y99 HydrophobicContact CB-CE2 3.87Å; M86-Y99 HydrophobicContact CB-CG 3.81Å; M86-Y99 HydrophobicContact CE-CE1 3.87Å; M86-Y99 HydrophobicContact CE-CE2 3.91Å; M86-Y99 WeakPolarHBondContact CE-OH 3.42Å; M86-Y99 HydrophobicContact CG-CD1 4.42Å; M86-Y99 HydrophobicContact CG-CE1 4.2Å; N87-Y99 PolarHBondContact ND2-O 3.22Å; N87-Y99 WeakPolarHBondContact OD1-CA 3.39Å; N87-Y99 VanDerWaalsContact OD1-CB 3.3Å; N87-Y99 WeakPolarHBondContact OD1-CB 3.18Å; N87-Y99 PolarHBondContact OD1-N 2.85Å; D90-Y99 HydrophobicContact CB-CE2 3.81Å; D90-Y99 PolarHBondContact OD2-OH 2.93Å; Y92-Y99 HydrophobicContact CE1-CD2 4.49Å; Y99-W107 VanDerWaalsContact CA-O 3.28Å; Y99-W107 WeakPolarHBondContact CA-O 3.23Å; Y99-R108 HydrophobicContact CE1-CB 4.31Å; Y99-R108 HydrophobicContact CE1-CG 4.09Å; Y99-P109 HydrophobicContact CD2-CG 3.44Å; Y99-P109 VanDerWaalsContact CD2-CG 3.44Å; Y99-P109 HydrophobicContact CE1-CG 4.41Å; Y99-P109 HydrophobicContact CE2-CG 3.25Å; Y99-P109 HydrophobicContact CG-CG 4.08Å
100	Y	90.2	Very high	88.6	Confident	40 Å²	40	44.7 Å²	44.7	16%	0.157	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	124.7	-176.2	175.8	-111.4	0	0	0	111.1	P98 D102 W107 W144 F146 H147	P98-Y100 PolarHBondContact O-N 3.49Å; Y100-D102 HydrophobicContact CD1-CB 4.37Å; Y100-D102 HydrophobicContact CE1-CB 3.8Å; Y100-W107 PolarHBondContact N-O 3.32Å; Y100-W107 WeakPolarHBondContact O-CB 3.41Å; Y100-W107 PolarHBondContact O-N 3.3Å; Y100-W144 HydrophobicContact CD1-CB 4.26Å; Y100-W144 AromaticContact CD1-CD1 3.94Å; Y100-W144 HydrophobicContact CD1-CG 4.03Å; Y100-W144 AromaticContact CG-CD1 3.55Å; Y100-W144 HydrophobicContact CG-CG 4.11Å; Y100-W144 AromaticContact CG-NE1 3.96Å; Y100-F146 WeakPolarHBondContact CE1-O 3.48Å; Y100-F146 PolarHBondContact OH-O 2.94Å; Y100-H147 PolarHBondContact OH-CD2 3.3Å; Y100-H147 PolarHBondContact OH-CE1 2.94Å; Y100-H147 VanDerWaalsContact OH-CE1 3.28Å; Y100-H147 PolarHBondContact OH-ND1 2.92Å; Y100-H147 PolarHBondContact OH-NE2 2.95Å
101	F	90.1	Very high	89.1	Confident	36 Å²	36	48.9 Å²	48.9	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	115.7	175	-175.2	-117.8	0	0	0	110.4	L76 I79 S80 C83 R103 T105 C106	L76-F101 HydrophobicContact CD2-CZ 4.06Å; I79-F101 HydrophobicContact CB-CE2 4.46Å; I79-F101 HydrophobicContact CG2-CD2 4.04Å; I79-F101 HydrophobicContact CG2-CE2 3.68Å; S80-F101 VanDerWaalsContact CB-CE1 3.47Å; S80-F101 VanDerWaalsContact OG-CD1 3.32Å; S80-F101 WeakPolarHBondContact OG-CD1 3.39Å; C83-F101 HydrophobicContact CB-CB 4.12Å; F101-R103 VanDerWaalsContact C-N 3.26Å; F101-R103 VanDerWaalsContact CZ-C 3.49Å; F101-R103 PolarHBondContact O-N 3.41Å; F101-T105 WeakPolarHBondContact CD2-O 3.32Å; F101-C106 HydrophobicContact CD2-CB 4.35Å
102	D	87.8	Confident	89.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.			trans	-91.9	28.6	-178.9	69.9	0.4	0	0	0	112.8	Y100 T104 T105 W107 F146 P148 Y158	Y100-D102 HydrophobicContact CD1-CB 4.37Å; Y100-D102 HydrophobicContact CE1-CB 3.8Å; D102-T104 PolarHBondContact O-N 3.41Å; D102-T104 VanDerWaalsContact O-N 3.11Å; D102-T104 PolarHBondContact O-OG1 2.87Å; D102-T104 VanDerWaalsContact OD1-CA 3.32Å; D102-T104 WeakPolarHBondContact OD1-CA 3.39Å; D102-T104 WeakPolarHBondContact OD1-CB 3.22Å; D102-T104 PolarHBondContact OD1-N 3.4Å; D102-T105 PolarHBondContact N-O 3.29Å; D102-T105 PolarHBondContact OD1-N 3.26Å; D102-T105 VanDerWaalsContact OD1-O 3.14Å; D102-W107 PolarHBondContact OD2-NE1 3.37Å; D102-F146 HydrophobicContact CB-CD1 3.94Å; D102-F146 HydrophobicContact CB-CE1 3.72Å; D102-F146 VanDerWaalsContact OD2-CE1 3.3Å; D102-F146 WeakPolarHBondContact OD2-CE1 3.45Å; D102-P148 HydrophobicContact CB-CG 4.32Å; D102-P148 WeakPolarHBondContact O-CG 3.5Å; D102-Y158 PolarHBondContact OD1-OH 2.92Å; D102-Y158 WeakPolarHBondContact OD2-CE2 3.18Å; D102-Y158 PolarHBondContact OD2-OH 3.19Å
103	R	86	Confident	90	Very high	172 Å²	172	43.7 Å²	43.7	65%	0.649	24%	0.24	S	C	*	.	S	Bend	trans	64.9	1.1	-170.8	-43	-179.7	-153.3	-106.4	2.1	115.3	F101 P148	F101-R103 VanDerWaalsContact C-N 3.26Å; F101-R103 VanDerWaalsContact CZ-C 3.49Å; F101-R103 PolarHBondContact O-N 3.41Å; R103-P148 HydrophobicContact CG-CG 4.3Å
104	T	85.5	Confident	90.5	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.055	23%	0.234	C	C	.	.	S	Bend	trans	-129.9	-48.9	-173.1	-45.7	0	0	0	0	110.2	D102 P121 Y123 I124 F127 F154 Y158	D102-T104 PolarHBondContact O-N 3.41Å; D102-T104 VanDerWaalsContact O-N 3.11Å; D102-T104 PolarHBondContact O-OG1 2.87Å; D102-T104 VanDerWaalsContact OD1-CA 3.32Å; D102-T104 WeakPolarHBondContact OD1-CA 3.39Å; D102-T104 WeakPolarHBondContact OD1-CB 3.22Å; D102-T104 PolarHBondContact OD1-N 3.4Å; T104-P121 HydrophobicContact CG2-CG 4.3Å; T104-Y123 VanDerWaalsContact O-CE2 3.29Å; T104-Y123 WeakPolarHBondContact O-CE2 3.49Å; T104-Y123 PolarHBondContact O-OH 3.2Å; T104-I124 HydrophobicContact CG2-CD1 3.17Å; T104-F127 HydrophobicContact CG2-CE2 4.12Å; T104-F127 HydrophobicContact CG2-CZ 4.37Å; T104-F154 HydrophobicContact CG2-CE2 4.19Å; T104-Y158 WeakPolarHBondContact CB-OH 3.33Å; T104-Y158 HydrophobicContact CG2-CD1 4.12Å; T104-Y158 HydrophobicContact CG2-CD2 4.37Å; T104-Y158 HydrophobicContact CG2-CE1 3.6Å; T104-Y158 HydrophobicContact CG2-CE2 3.87Å; T104-Y158 HydrophobicContact CG2-CG 4.48Å; T104-Y158 VanDerWaalsContact CG2-CZ 3.46Å
105	T	89	Confident	90.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.219	C	C	.	.			trans	-140.7	143.4	-173.4	-52.4	0	0	0	0	110	F101 D102 Y158	F101-T105 WeakPolarHBondContact CD2-O 3.32Å; D102-T105 PolarHBondContact N-O 3.29Å; D102-T105 PolarHBondContact OD1-N 3.26Å; D102-T105 VanDerWaalsContact OD1-O 3.14Å; T105-Y158 WeakPolarHBondContact CB-OH 3.43Å; T105-Y158 PolarHBondContact OG1-OH 3.01Å
106	C	91	Very high	91	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.7	171.7	179	0	0	0	0	110.1	L58 I79 C83 F101 Q118	L58-C106 HydrophobicContact CD1-CB 4.27Å; L58-C106 HydrophobicContact CD2-CB 4.35Å; I79-C106 HydrophobicContact CG2-CB 3.97Å; C83-C106 VanDerWaalsContact CA-SG 3.59Å; C83-C106 HydrophobicContact CB-CB 3.79Å; C83-C106 WeakPolarHBondContact CB-SG 3.27Å; C83-C106 WeakPolarHBondContact SG-CB 3.3Å; C83-C106 CovalentContact SG-SG 2.04Å; C83-C106 PolarHBondContact SG-SG 2.98Å; F101-C106 HydrophobicContact CD2-CB 4.35Å; C106-Q118 PolarHBondContact O-NE2 3.48Å
107	W	92.4	Very high	91	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.4	178.9	-63.2	97.3	0	0	0	111.1	Y99 Y100 D102 A116 Q118 V134 I136 W144	Y99-W107 VanDerWaalsContact CA-O 3.28Å; Y99-W107 WeakPolarHBondContact CA-O 3.23Å; Y100-W107 PolarHBondContact N-O 3.32Å; Y100-W107 WeakPolarHBondContact O-CB 3.41Å; Y100-W107 PolarHBondContact O-N 3.3Å; D102-W107 PolarHBondContact OD2-NE1 3.37Å; W107-A116 HydrophobicContact CE3-CB 3.65Å; W107-A116 HydrophobicContact CZ3-CB 4.04Å; W107-A116 WeakPolarHBondContact CZ3-O 3.42Å; W107-Q118 HydrophobicContact CE3-CG 4.13Å; W107-Q118 HydrophobicContact CH2-CB 4.43Å; W107-Q118 HydrophobicContact CZ3-CB 4.1Å; W107-Q118 HydrophobicContact CZ3-CG 3.93Å; W107-V134 HydrophobicContact CH2-CB 4.42Å; W107-V134 HydrophobicContact CH2-CG2 3.85Å; W107-V134 HydrophobicContact CZ2-CG2 4.33Å; W107-I136 HydrophobicContact CB-CD1 3.96Å; W107-I136 VanDerWaalsContact CD1-CD1 3.5Å; W107-I136 HydrophobicContact CD2-CD1 3.36Å; W107-I136 HydrophobicContact CD2-CG1 3.54Å; W107-I136 HydrophobicContact CE3-CD1 3.99Å; W107-I136 HydrophobicContact CE3-CG1 3.65Å; W107-I136 HydrophobicContact CG-CD1 3.32Å; W107-I136 HydrophobicContact CG-CG1 4.06Å; W107-I136 HydrophobicContact CH2-CB 4.49Å; W107-I136 HydrophobicContact CH2-CG1 4.06Å; W107-I136 HydrophobicContact CH2-CG2 4.04Å; W107-I136 HydrophobicContact CZ2-CB 4.38Å; W107-I136 HydrophobicContact CZ2-CD1 4.27Å; W107-I136 HydrophobicContact CZ2-CG1 3.99Å; W107-I136 HydrophobicContact CZ2-CG2 3.63Å; W107-I136 HydrophobicContact CZ3-CG1 3.91Å; W107-W144 HydrophobicContact CB-CH2 4.27Å; W107-W144 HydrophobicContact CB-CZ2 4.15Å
108	R	92.2	Very high	90.9	Very high	67 Å²	67	41 Å²	41	25%	0.253	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-85.6	154.4	-179.1	-64.1	174.7	-178.8	67.7	4.6	110.5	H59 E62 Y99 V110	H59-R108 PolarHBondContact CD2-NH2 3.18Å; H59-R108 PolarHBondContact CE1-NH2 2.95Å; H59-R108 VanDerWaalsContact CE1-NH2 3.28Å; H59-R108 PolarHBondContact NE2-NE 3.49Å; H59-R108 PolarHBondContact NE2-NH2 3.24Å; E62-R108 IonicContact OE1-NH2 3.81Å; E62-R108 IonicContact OE2-CZ 3.67Å; E62-R108 IonicContact OE2-NH1 3.68Å; E62-R108 IonicContact OE2-NH2 2.62Å; E62-R108 PolarHBondContact OE2-NH2 2.9Å; Y99-R108 HydrophobicContact CE1-CB 4.31Å; Y99-R108 HydrophobicContact CE1-CG 4.09Å; R108-V110 PolarHBondContact O-N 3.07Å
109	P	91.5	Very high	90.6	Very high	29 Å²	29	43.1 Å²	43.1	19%	0.188	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-60.1	133.9	179	-25.4	33.8	0	0	0	112.7	Y92 Y96 C97 Y99	Y92-P109 HydrophobicContact CD1-CB 4.25Å; Y92-P109 HydrophobicContact CD1-CG 3.93Å; Y92-P109 HydrophobicContact CE1-CG 4.17Å; Y92-P109 HydrophobicContact CG-CB 4.34Å; Y96-P109 HydrophobicContact CD1-CB 4.43Å; C97-P109 WeakPolarHBondContact O-CA 3.47Å; C97-P109 VanDerWaalsContact O-CB 3.29Å; C97-P109 WeakPolarHBondContact O-CB 3.16Å; Y99-P109 HydrophobicContact CD2-CG 3.44Å; Y99-P109 VanDerWaalsContact CD2-CG 3.44Å; Y99-P109 HydrophobicContact CE1-CG 4.41Å; Y99-P109 HydrophobicContact CE2-CG 3.25Å; Y99-P109 HydrophobicContact CG-CG 4.08Å
110	V	93.2	Very high	90.4	Very high	25 Å²	25	42.7 Å²	42.7	15%	0.152	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.6	175.5	-58	0	0	0	0	109.8	Y96 C97 R108 S114 A116 C138 W144	Y96-V110 CarbonylContact C-O 3.56Å; Y96-V110 VanDerWaalsContact CA-O 3.29Å; Y96-V110 WeakPolarHBondContact CA-O 3.25Å; C97-V110 PolarHBondContact N-O 3.49Å; R108-V110 PolarHBondContact O-N 3.07Å; V110-S114 WeakPolarHBondContact CB-OG 3.35Å; V110-A116 HydrophobicContact CG1-CB 3.86Å; V110-A116 HydrophobicContact CG2-CB 4.37Å; V110-C138 HydrophobicContact CG2-CB 3.53Å; V110-W144 HydrophobicContact CG2-CH2 3.56Å; V110-W144 HydrophobicContact CG2-CZ3 3.85Å
111	E	92.4	Very high	90.1	Very high	101 Å²	101	41.3 Å²	41.3	47%	0.472	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.7	-179.4	-176.8	168.1	-157.5	0	0	111.5	H95 Y96 G113 S114	H95-E111 IonicContact CD2-OE1 2.67Å; Y96-E111 HydrophobicContact CE1-CB 4.17Å; Y96-E111 HydrophobicContact CE2-CB 4.21Å; Y96-E111 HydrophobicContact CE2-CG 4.39Å; E111-G113 PolarHBondContact O-N 3.21Å; E111-S114 PolarHBondContact N-OG 2.93Å; E111-S114 WeakPolarHBondContact O-CB 3.3Å; E111-S114 PolarHBondContact O-N 3.27Å; E111-S114 PolarHBondContact O-OG 3.23Å
112	A	92	Very high	89.8	Confident	28 Å²	28	42.7 Å²	42.7	23%	0.231	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	126	176.8	0	0	0	0	0	111.2	H95 R139	H95-A112 WeakPolarHBondContact O-CB 3.32Å; H95-A112 PolarHBondContact O-N 3.29Å; A112-R139 WeakPolarHBondContact CB-O 3.36Å
113	G	91.5	Very high	89.4	Confident	47 Å²	47	42.8 Å²	42.8	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	94	-5.3	-174.3	0	0	0	0	0	114.9	E111 C138 N140	E111-G113 PolarHBondContact O-N 3.21Å; G113-C138 VanDerWaalsContact CA-O 3.31Å; G113-C138 WeakPolarHBondContact CA-O 3.36Å; G113-C138 PolarHBondContact N-O 3.23Å; G113-N140 WeakPolarHBondContact CA-OD1 3.24Å
114	S	93.8	Very high	89	Confident	41 Å²	41	36.1 Å²	36.1	29%	0.287	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-100.1	164	177.8	72.7	0	0	0	0	113.4	V110 E111 C138	V110-S114 WeakPolarHBondContact CB-OG 3.35Å; E111-S114 PolarHBondContact N-OG 2.93Å; E111-S114 WeakPolarHBondContact O-CB 3.3Å; E111-S114 PolarHBondContact O-N 3.27Å; E111-S114 PolarHBondContact O-OG 3.23Å; S114-C138 PolarHBondContact O-N 2.87Å
115	S	91.9	Very high	88.2	Confident	63 Å²	63	40.5 Å²	40.5	44%	0.441	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.6	176.3	55.2	0	0	0	0	112	I136	S115-I136 CarbonylContact C-O 3.59Å; S115-I136 WeakPolarHBondContact CA-O 3.46Å
116	A	92.5	Very high	87.2	Confident	7 Å²	7	42.6 Å²	42.6	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.3	170	0	0	0	0	0	109.4	W107 V110 S135 I136 W144	W107-A116 HydrophobicContact CE3-CB 3.65Å; W107-A116 HydrophobicContact CZ3-CB 4.04Å; W107-A116 WeakPolarHBondContact CZ3-O 3.42Å; V110-A116 HydrophobicContact CG1-CB 3.86Å; V110-A116 HydrophobicContact CG2-CB 4.37Å; A116-S135 WeakPolarHBondContact O-CA 3.35Å; A116-I136 HydrophobicContact CB-CG1 4.22Å; A116-I136 PolarHBondContact N-O 3.46Å; A116-I136 PolarHBondContact O-N 3.45Å; A116-I136 VanDerWaalsContact O-N 3.12Å; A116-W144 HydrophobicContact CB-CH2 3.79Å; A116-W144 HydrophobicContact CB-CZ3 3.83Å
117	L	91.6	Very high	86.5	Confident	115 Å²	115	44 Å²	44	60%	0.602	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.8	-176.2	-68.5	151.8	0	0	0	109.4	I133	L117-I133 HydrophobicContact CB-CG2 4.24Å; L117-I133 HydrophobicContact CD2-CG2 3.7Å
118	Q	89.6	Confident	85.4	Confident	26 Å²	26	46.7 Å²	46.7	12%	0.121	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.4	172.5	-69.9	-159.6	22.5	0	0	111.3	C106 W107 I133 V134	C106-Q118 PolarHBondContact O-NE2 3.48Å; W107-Q118 HydrophobicContact CE3-CG 4.13Å; W107-Q118 HydrophobicContact CH2-CB 4.43Å; W107-Q118 HydrophobicContact CZ3-CB 4.1Å; W107-Q118 HydrophobicContact CZ3-CG 3.93Å; Q118-I133 CarbonylContact O-C 3.59Å; Q118-I133 WeakPolarHBondContact O-CA 3.24Å; Q118-V134 HydrophobicContact CB-CG2 4.36Å; Q118-V134 PolarHBondContact N-O 2.93Å; Q118-V134 WeakPolarHBondContact O-CG2 3.21Å; Q118-V134 PolarHBondContact O-N 3.27Å
119	T	86.4	Confident	84.7	Confident	88 Å²	88	46.4 Å²	46.4	54%	0.54	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	156.5	169.5	50.3	0	0	0	0	110.5	A132	T119-A132 WeakPolarHBondContact CA-O 3.43Å
120	C	87.3	Confident	83.8	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.014	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-57.9	131.9	177.7	-66.1	0	0	0	0	112.4	V122 N129 A132 C161	C120-V122 PolarHBondContact O-N 2.97Å; C120-N129 WeakPolarHBondContact CB-O 3.38Å; C120-N129 PolarHBondContact SG-O 2.88Å; C120-N129 VanDerWaalsContact SG-O 3.37Å; C120-A132 PolarHBondContact N-O 3.4Å; C120-A132 PolarHBondContact SG-O 3.4Å; C120-A132 VanDerWaalsContact SG-O 3.37Å; C120-C161 HydrophobicContact CB-CB 3.66Å; C120-C161 WeakPolarHBondContact CB-SG 3.34Å; C120-C161 WeakPolarHBondContact SG-CA 3.22Å; C120-C161 WeakPolarHBondContact SG-CB 3.42Å; C120-C161 CovalentContact SG-SG 2.02Å; C120-C161 PolarHBondContact SG-SG 2.88Å
121	P	85.2	Confident	83.1	Confident	10 Å²	10	52.7 Å²	52.7	7%	0.065	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-66.2	132.9	-178.5	23.9	-32	0	0	0	111.3	T104 Y123 I124 F127	T104-P121 HydrophobicContact CG2-CG 4.3Å; P121-Y123 HydrophobicContact CB-CD1 3.97Å; P121-Y123 HydrophobicContact CB-CD2 4.35Å; P121-Y123 HydrophobicContact CB-CE1 3.39Å; P121-Y123 HydrophobicContact CB-CE2 3.83Å; P121-Y123 HydrophobicContact CB-CG 4.4Å; P121-I124 HydrophobicContact CB-CD1 4.37Å; P121-I124 HydrophobicContact CB-CG1 4.35Å; P121-I124 HydrophobicContact CG-CD1 3.73Å; P121-I124 HydrophobicContact CG-CG1 4.13Å; P121-F127 HydrophobicContact CG-CD2 3.69Å; P121-F127 HydrophobicContact CG-CE2 3.68Å
122	V	83	Confident	82.6	Confident	66 Å²	66	48.5 Å²	48.5	40%	0.4	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.3	-177.5	-174.8	0	0	0	0	111.6	K65 C120 I124	K65-V122 HydrophobicContact CB-CG1 4.27Å; K65-V122 HydrophobicContact CG-CG1 4.34Å; C120-V122 PolarHBondContact O-N 2.97Å; V122-I124 PolarHBondContact O-N 3.48Å
123	Y	79.4	Confident	82.2	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.008	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.7	-179.6	52.2	-94	0	0	0	114.5	E62 I64 P66 T72 I75 L76 I79 T104 P121	E62-Y123 HydrophobicContact CB-CE1 4.31Å; E62-Y123 HydrophobicContact CG-CE1 4.33Å; E62-Y123 WeakPolarHBondContact O-CD1 3.31Å; I64-Y123 WeakPolarHBondContact O-CB 3.31Å; P66-Y123 VanDerWaalsContact CD-CA 3.46Å; P66-Y123 VanDerWaalsContact CG-O 3.28Å; P66-Y123 WeakPolarHBondContact CG-O 3.35Å; T72-Y123 WeakPolarHBondContact CG2-O 3.42Å; I75-Y123 HydrophobicContact CG2-CD2 4.36Å; I75-Y123 HydrophobicContact CG2-CG 4.09Å; L76-Y123 HydrophobicContact CD2-CD2 4.23Å; L76-Y123 HydrophobicContact CD2-CE2 3.76Å; L76-Y123 HydrophobicContact CG-CD2 4.47Å; L76-Y123 HydrophobicContact CG-CE2 4.46Å; I79-Y123 HydrophobicContact CD1-CD1 4.17Å; I79-Y123 HydrophobicContact CD1-CD2 4.42Å; I79-Y123 HydrophobicContact CD1-CE1 3.68Å; I79-Y123 HydrophobicContact CD1-CE2 3.97Å; T104-Y123 VanDerWaalsContact O-CE2 3.29Å; T104-Y123 WeakPolarHBondContact O-CE2 3.49Å; T104-Y123 PolarHBondContact O-OH 3.2Å; P121-Y123 HydrophobicContact CB-CD1 3.97Å; P121-Y123 HydrophobicContact CB-CD2 4.35Å; P121-Y123 HydrophobicContact CB-CE1 3.39Å; P121-Y123 HydrophobicContact CB-CE2 3.83Å; P121-Y123 HydrophobicContact CB-CG 4.4Å
124	I	78.1	Confident	82.1	Confident	31 Å²	31	50.2 Å²	50.2	16%	0.159	31%	0.306	C	S	.	.	S	Bend	trans	-103.8	117.1	-178.6	-58.3	-172.8	0	0	0	110.9	T104 P121 V122 G126 F127	T104-I124 HydrophobicContact CG2-CD1 3.17Å; P121-I124 HydrophobicContact CB-CD1 4.37Å; P121-I124 HydrophobicContact CB-CG1 4.35Å; P121-I124 HydrophobicContact CG-CD1 3.73Å; P121-I124 HydrophobicContact CG-CG1 4.13Å; V122-I124 PolarHBondContact O-N 3.48Å; I124-G126 PolarHBondContact O-N 3.37Å; I124-F127 HydrophobicContact CB-CD2 4.08Å; I124-F127 HydrophobicContact CB-CE2 4.4Å; I124-F127 HydrophobicContact CB-CG 4.38Å; I124-F127 HydrophobicContact CD1-CE2 4.11Å; I124-F127 HydrophobicContact CG2-CD2 4.34Å; I124-F127 HydrophobicContact CG2-CE2 4.4Å; I124-F127 HydrophobicContact CG2-CG 4.38Å; I124-F127 HydrophobicContact CG2-CZ 4.5Å; I124-F127 PolarHBondContact O-N 3Å
125	D	69.1	Low	81.9	Confident	102 Å²	102	51.2 Å²	51.2	55%	0.545	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	119	173.8	-78.3	-22.5	0	0	0	111.6
126	G	66.8	Low	81.8	Confident	45 Å²	45	48.5 Å²	48.5	46%	0.464	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	113	-18.2	179.5	0	0	0	0	0	114.1	I124 S128	I124-G126 PolarHBondContact O-N 3.37Å; G126-S128 PolarHBondContact O-N 3.2Å
127	F	76.1	Confident	81.8	Confident	30 Å²	30	51 Å²	51	13%	0.132	31%	0.308	C	S	.	.			trans	-80.6	110.2	168.3	-70.7	1.2	0	0	0	108.7	T104 P121 I124 F154 Y158 C161 I162	T104-F127 HydrophobicContact CG2-CE2 4.12Å; T104-F127 HydrophobicContact CG2-CZ 4.37Å; P121-F127 HydrophobicContact CG-CD2 3.69Å; P121-F127 HydrophobicContact CG-CE2 3.68Å; I124-F127 HydrophobicContact CB-CD2 4.08Å; I124-F127 HydrophobicContact CB-CE2 4.4Å; I124-F127 HydrophobicContact CB-CG 4.38Å; I124-F127 HydrophobicContact CD1-CE2 4.11Å; I124-F127 HydrophobicContact CG2-CD2 4.34Å; I124-F127 HydrophobicContact CG2-CE2 4.4Å; I124-F127 HydrophobicContact CG2-CG 4.38Å; I124-F127 HydrophobicContact CG2-CZ 4.5Å; I124-F127 PolarHBondContact O-N 3Å; F127-F154 HydrophobicContact CE1-CZ 4.33Å; F127-F154 HydrophobicContact CZ-CE1 4.46Å; F127-F154 AromaticContact CZ-CZ 3.87Å; F127-F154 HydrophobicContact CZ-CZ 3.87Å; F127-Y158 AromaticContact CE2-CD1 3.47Å; F127-Y158 HydrophobicContact CE2-CD1 3.47Å; F127-Y158 VanDerWaalsContact CE2-CD1 3.47Å; F127-Y158 HydrophobicContact CE2-CE1 4.09Å; F127-Y158 HydrophobicContact CE2-CG 4.14Å; F127-Y158 AromaticContact CZ-CD1 3.59Å; F127-Y158 HydrophobicContact CZ-CD1 3.59Å; F127-Y158 HydrophobicContact CZ-CE1 4.49Å; F127-Y158 AromaticContact CZ-CG 3.76Å; F127-Y158 HydrophobicContact CZ-CG 3.76Å; F127-C161 WeakPolarHBondContact CA-O 3.34Å; F127-C161 HydrophobicContact CB-CB 4.05Å; F127-C161 HydrophobicContact CD1-CB 3.69Å; F127-C161 HydrophobicContact CD2-CB 3.64Å; F127-C161 HydrophobicContact CE1-CB 4Å; F127-C161 HydrophobicContact CE2-CB 3.96Å; F127-C161 HydrophobicContact CG-CB 3.51Å; F127-C161 HydrophobicContact CZ-CB 4.14Å; F127-I162 HydrophobicContact CD1-CG1 4Å; F127-I162 HydrophobicContact CE1-CD1 4.45Å; F127-I162 HydrophobicContact CE1-CG1 3.91Å
128	S	70.4	Confident	81.8	Confident	56 Å²	56	45.6 Å²	45.6	39%	0.392	28%	0.279	S	S	.	.			trans	-113	-11.7	-175.1	55.1	0	0	0	0	112.8	G126 C161 K163	G126-S128 PolarHBondContact O-N 3.2Å; S128-C161 PolarHBondContact N-O 3.28Å; S128-K163 WeakPolarHBondContact OG-CB 3.24Å; S128-K163 VanDerWaalsContact OG-CD 3.28Å; S128-K163 WeakPolarHBondContact OG-CD 3.07Å; S128-K163 WeakPolarHBondContact OG-CG 3.32Å
129	N	75.8	Confident	81.9	Confident	60 Å²	60	50 Å²	50	32%	0.321	30%	0.295	S	S	.	.			trans	-101	76.9	174.8	-168	4.5	0	0	0	110	C120 V131 A132 P160 C161	C120-N129 WeakPolarHBondContact CB-O 3.38Å; C120-N129 PolarHBondContact SG-O 2.88Å; C120-N129 VanDerWaalsContact SG-O 3.37Å; N129-V131 PolarHBondContact O-N 3.47Å; N129-A132 HydrophobicContact CB-CB 4.23Å; N129-A132 WeakPolarHBondContact ND2-CB 3.46Å; N129-A132 PolarHBondContact O-N 2.86Å; N129-A132 PolarHBondContact OD1-N 3.2Å; N129-P160 WeakPolarHBondContact CB-O 3.39Å; N129-P160 PolarHBondContact ND2-O 3.49Å; N129-C161 PolarHBondContact N-O 3.26Å
130	S	74.6	Confident	82.1	Confident	68 Å²	68	52.7 Å²	52.7	48%	0.476	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16	178.8	54.2	0	0	0	0	113.7
131	V	77.1	Confident	82.3	Confident	118 Å²	118	56.9 Å²	56.9	72%	0.715	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.7	-179.5	-169.8	0	0	0	0	111.9	N129	N129-V131 PolarHBondContact O-N 3.47Å
132	A	81.3	Confident	82.3	Confident	14 Å²	14	58.5 Å²	58.5	12%	0.116	34%	0.34	C	S	.	.			trans	-68	146.6	176.1	0	0	0	0	0	111.6	T119 C120 N129 P160	T119-A132 WeakPolarHBondContact CA-O 3.43Å; C120-A132 PolarHBondContact N-O 3.4Å; C120-A132 PolarHBondContact SG-O 3.4Å; C120-A132 VanDerWaalsContact SG-O 3.37Å; N129-A132 HydrophobicContact CB-CB 4.23Å; N129-A132 WeakPolarHBondContact ND2-CB 3.46Å; N129-A132 PolarHBondContact O-N 2.86Å; N129-A132 PolarHBondContact OD1-N 3.2Å; A132-P160 HydrophobicContact CB-CB 3.9Å; A132-P160 WeakPolarHBondContact CB-O 3.24Å
133	I	84.7	Confident	82.7	Confident	109 Å²	109	58.2 Å²	58.2	56%	0.559	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.3	178.2	-57.7	172.8	0	0	0	108	L117 Q118	L117-I133 HydrophobicContact CB-CG2 4.24Å; L117-I133 HydrophobicContact CD2-CG2 3.7Å; Q118-I133 CarbonylContact O-C 3.59Å; Q118-I133 WeakPolarHBondContact O-CA 3.24Å
134	V	89.2	Confident	83.1	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	147.3	172.4	-65.9	0	0	0	0	109.7	W107 Q118 V157 Y158 C161	W107-V134 HydrophobicContact CH2-CB 4.42Å; W107-V134 HydrophobicContact CH2-CG2 3.85Å; W107-V134 HydrophobicContact CZ2-CG2 4.33Å; Q118-V134 HydrophobicContact CB-CG2 4.36Å; Q118-V134 PolarHBondContact N-O 2.93Å; Q118-V134 WeakPolarHBondContact O-CG2 3.21Å; Q118-V134 PolarHBondContact O-N 3.27Å; V134-V157 HydrophobicContact CB-CG1 4.18Å; V134-V157 VanDerWaalsContact CG1-O 3.27Å; V134-V157 WeakPolarHBondContact CG1-O 3.42Å; V134-Y158 HydrophobicContact CG1-CD1 4.07Å; V134-Y158 HydrophobicContact CG1-CE1 4.47Å; V134-Y158 HydrophobicContact CG2-CE1 4.19Å; V134-C161 WeakPolarHBondContact CG1-SG 3.48Å
135	S	88.7	Confident	83.5	Confident	62 Å²	62	61.1 Å²	61.1	43%	0.434	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	137.8	-178.4	65.9	0	0	0	0	113	A116	A116-S135 WeakPolarHBondContact O-CA 3.35Å
136	I	91.2	Very high	84.2	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	157.8	166.9	65.4	166.1	0	0	0	109.9	W107 S115 A116 W144 F146 V157	W107-I136 HydrophobicContact CB-CD1 3.96Å; W107-I136 VanDerWaalsContact CD1-CD1 3.5Å; W107-I136 HydrophobicContact CD2-CD1 3.36Å; W107-I136 HydrophobicContact CD2-CG1 3.54Å; W107-I136 HydrophobicContact CE3-CD1 3.99Å; W107-I136 HydrophobicContact CE3-CG1 3.65Å; W107-I136 HydrophobicContact CG-CD1 3.32Å; W107-I136 HydrophobicContact CG-CG1 4.06Å; W107-I136 HydrophobicContact CH2-CB 4.49Å; W107-I136 HydrophobicContact CH2-CG1 4.06Å; W107-I136 HydrophobicContact CH2-CG2 4.04Å; W107-I136 HydrophobicContact CZ2-CB 4.38Å; W107-I136 HydrophobicContact CZ2-CD1 4.27Å; W107-I136 HydrophobicContact CZ2-CG1 3.99Å; W107-I136 HydrophobicContact CZ2-CG2 3.63Å; W107-I136 HydrophobicContact CZ3-CG1 3.91Å; S115-I136 CarbonylContact C-O 3.59Å; S115-I136 WeakPolarHBondContact CA-O 3.46Å; A116-I136 HydrophobicContact CB-CG1 4.22Å; A116-I136 PolarHBondContact N-O 3.46Å; A116-I136 PolarHBondContact O-N 3.45Å; A116-I136 VanDerWaalsContact O-N 3.12Å; I136-W144 HydrophobicContact CD1-CD2 3.85Å; I136-W144 HydrophobicContact CD1-CE3 3.32Å; I136-W144 HydrophobicContact CD1-CG 4.48Å; I136-W144 HydrophobicContact CD1-CH2 4.34Å; I136-W144 HydrophobicContact CD1-CZ3 3.62Å; I136-W144 HydrophobicContact CG1-CE3 3.78Å; I136-W144 HydrophobicContact CG1-CZ3 3.71Å; I136-F146 HydrophobicContact CB-CB 4.23Å; I136-F146 HydrophobicContact CG2-CB 3.76Å; I136-F146 HydrophobicContact CG2-CD1 3.99Å; I136-F146 HydrophobicContact CG2-CG 3.99Å; I136-V157 HydrophobicContact CG2-CG1 3.96Å; I136-V157 HydrophobicContact CG2-CG2 4.18Å
137	V	91.3	Very high	84.8	Confident	61 Å²	61	59.5 Å²	59.5	37%	0.37	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.4	-174.6	177	0	0	0	0	110.6	N145	V137-N145 HydrophobicContact CB-CB 4.39Å; V137-N145 WeakPolarHBondContact O-CB 3.29Å; V137-N145 PolarHBondContact O-N 3.17Å
138	C	92.4	Very high	84.6	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-86.2	120.9	168.9	178.2	0	0	0	0	109.4	C97 V110 G113 S114 W144	C97-C138 HydrophobicContact CB-CB 3.82Å; C97-C138 WeakPolarHBondContact CB-SG 3.33Å; C97-C138 VanDerWaalsContact SG-CA 3.5Å; C97-C138 WeakPolarHBondContact SG-CB 3.46Å; C97-C138 CovalentContact SG-SG 2.01Å; C97-C138 PolarHBondContact SG-SG 2.85Å; V110-C138 HydrophobicContact CG2-CB 3.53Å; G113-C138 VanDerWaalsContact CA-O 3.31Å; G113-C138 WeakPolarHBondContact CA-O 3.36Å; G113-C138 PolarHBondContact N-O 3.23Å; S114-C138 PolarHBondContact O-N 2.87Å; C138-W144 HydrophobicContact CB-CE3 4.23Å; C138-W144 HydrophobicContact CB-CZ3 4.07Å
139	R	91.5	Very high	84.8	Confident	119 Å²	119	61.5 Å²	61.5	45%	0.449	34%	0.342	S	S	.	.			trans	-70.9	162.2	178.6	-73.8	-175.4	177.7	164.6	16.2	111.6	A112 D141 S142 T143 N145	A112-R139 WeakPolarHBondContact CB-O 3.36Å; R139-D141 WeakPolarHBondContact CB-OD1 3.46Å; R139-D141 PolarHBondContact O-N 3.01Å; R139-D141 VanDerWaalsContact O-N 3.15Å; R139-S142 PolarHBondContact O-N 3.24Å; R139-T143 WeakPolarHBondContact CB-O 3.3Å; R139-T143 PolarHBondContact N-O 2.79Å; R139-N145 WeakPolarHBondContact CG-OD1 3.39Å; R139-N145 PolarHBondContact NE-OD1 3.43Å; R139-N145 PolarHBondContact NH2-OD1 3.38Å
140	N	90.9	Very high	84.8	Confident	144 Å²	144	62.4 Å²	62.4	77%	0.77	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-17	175.6	-68.1	1.5	0	0	0	113.5	G113 S142	G113-N140 WeakPolarHBondContact CA-OD1 3.24Å; N140-S142 VanDerWaalsContact C-N 3.29Å
141	D	90.7	Very high	84.7	Confident	90 Å²	90	64.1 Å²	64.1	48%	0.481	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.9	175.5	66.9	0.1	0	0	0	113.2	R139 T143	R139-D141 WeakPolarHBondContact CB-OD1 3.46Å; R139-D141 PolarHBondContact O-N 3.01Å; R139-D141 VanDerWaalsContact O-N 3.15Å; D141-T143 VanDerWaalsContact C-N 3.28Å; D141-T143 VanDerWaalsContact CG-OG1 3.22Å; D141-T143 PolarHBondContact O-N 3.17Å; D141-T143 WeakPolarHBondContact OD1-CB 3.27Å; D141-T143 PolarHBondContact OD1-N 3.11Å; D141-T143 PolarHBondContact OD1-OG1 2.79Å; D141-T143 PolarHBondContact OD2-OG1 3.24Å
142	S	86.8	Confident	84.5	Confident	45 Å²	45	64.6 Å²	64.6	32%	0.315	35%	0.353	S	S	.	.	S	Bend	trans	63.4	23.1	-175.7	67.1	0	0	0	0	115.3	C97 R139 N140	C97-S142 PolarHBondContact SG-O 3.35Å; R139-S142 PolarHBondContact O-N 3.24Å; N140-S142 VanDerWaalsContact C-N 3.29Å
143	T	89.7	Confident	84.3	Confident	60 Å²	60	66.8 Å²	66.8	37%	0.368	36%	0.361	S	S	.	.			trans	-110.3	150.7	174.8	72	0	0	0	0	113.2	C97 R139 D141	C97-T143 VanDerWaalsContact SG-C 3.57Å; R139-T143 WeakPolarHBondContact CB-O 3.3Å; R139-T143 PolarHBondContact N-O 2.79Å; D141-T143 VanDerWaalsContact C-N 3.28Å; D141-T143 VanDerWaalsContact CG-OG1 3.22Å; D141-T143 PolarHBondContact O-N 3.17Å; D141-T143 WeakPolarHBondContact OD1-CB 3.27Å; D141-T143 PolarHBondContact OD1-N 3.11Å; D141-T143 PolarHBondContact OD1-OG1 2.79Å; D141-T143 PolarHBondContact OD2-OG1 3.24Å
144	W	89.2	Confident	84.1	Confident	27 Å²	27	64.2 Å²	64.2	10%	0.102	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-77.3	137.6	176.7	-68.2	107.6	0	0	0	111.8	C97 P98 Y100 W107 V110 A116 I136 C138 F146	C97-W144 HydrophobicContact CB-CD2 3.92Å; C97-W144 VanDerWaalsContact CB-CE2 3.43Å; C97-W144 HydrophobicContact CB-CE3 4.39Å; C97-W144 HydrophobicContact CB-CG 4.47Å; C97-W144 HydrophobicContact CB-CH2 4.12Å; C97-W144 HydrophobicContact CB-CZ2 3.57Å; C97-W144 HydrophobicContact CB-CZ3 4.48Å; P98-W144 WeakPolarHBondContact O-CZ2 3.49Å; P98-W144 PolarHBondContact O-NE1 2.94Å; Y100-W144 HydrophobicContact CD1-CB 4.26Å; Y100-W144 AromaticContact CD1-CD1 3.94Å; Y100-W144 HydrophobicContact CD1-CG 4.03Å; Y100-W144 AromaticContact CG-CD1 3.55Å; Y100-W144 HydrophobicContact CG-CG 4.11Å; Y100-W144 AromaticContact CG-NE1 3.96Å; W107-W144 HydrophobicContact CB-CH2 4.27Å; W107-W144 HydrophobicContact CB-CZ2 4.15Å; V110-W144 HydrophobicContact CG2-CH2 3.56Å; V110-W144 HydrophobicContact CG2-CZ3 3.85Å; A116-W144 HydrophobicContact CB-CH2 3.79Å; A116-W144 HydrophobicContact CB-CZ3 3.83Å; I136-W144 HydrophobicContact CD1-CD2 3.85Å; I136-W144 HydrophobicContact CD1-CE3 3.32Å; I136-W144 HydrophobicContact CD1-CG 4.48Å; I136-W144 HydrophobicContact CD1-CH2 4.34Å; I136-W144 HydrophobicContact CD1-CZ3 3.62Å; I136-W144 HydrophobicContact CG1-CE3 3.78Å; I136-W144 HydrophobicContact CG1-CZ3 3.71Å; C138-W144 HydrophobicContact CB-CE3 4.23Å; C138-W144 HydrophobicContact CB-CZ3 4.07Å; W144-F146 VanDerWaalsContact C-N 3.28Å; W144-F146 PolarHBondContact O-N 2.92Å
145	N	85.5	Confident	83.7	Confident	67 Å²	67	67.8 Å²	67.8	36%	0.358	36%	0.364	S	S	.	.	S	Bend	trans	-72	-16.6	179.3	-101.1	-42.2	0	0	0	115.1	V137 R139	V137-N145 HydrophobicContact CB-CB 4.39Å; V137-N145 WeakPolarHBondContact O-CB 3.29Å; V137-N145 PolarHBondContact O-N 3.17Å; R139-N145 WeakPolarHBondContact CG-OD1 3.39Å; R139-N145 PolarHBondContact NE-OD1 3.43Å; R139-N145 PolarHBondContact NH2-OD1 3.38Å
146	F	84.6	Confident	83.3	Confident	7 Å²	7	67.9 Å²	67.9	3%	0.031	38%	0.375	C	S	.	.			trans	-113.1	125.6	-167.7	176	-115.5	0	0	0	110.2	Y100 D102 I136 W144 P148 E153 V157 Y158	Y100-F146 WeakPolarHBondContact CE1-O 3.48Å; Y100-F146 PolarHBondContact OH-O 2.94Å; D102-F146 HydrophobicContact CB-CD1 3.94Å; D102-F146 HydrophobicContact CB-CE1 3.72Å; D102-F146 VanDerWaalsContact OD2-CE1 3.3Å; D102-F146 WeakPolarHBondContact OD2-CE1 3.45Å; I136-F146 HydrophobicContact CB-CB 4.23Å; I136-F146 HydrophobicContact CG2-CB 3.76Å; I136-F146 HydrophobicContact CG2-CD1 3.99Å; I136-F146 HydrophobicContact CG2-CG 3.99Å; W144-F146 VanDerWaalsContact C-N 3.28Å; W144-F146 PolarHBondContact O-N 2.92Å; F146-P148 HydrophobicContact CE1-CB 4.4Å; F146-P148 HydrophobicContact CZ-CB 4.18Å; F146-E153 HydrophobicContact CD2-CG 3.86Å; F146-E153 HydrophobicContact CE2-CB 4.47Å; F146-E153 HydrophobicContact CE2-CG 3.85Å; F146-E153 WeakPolarHBondContact CE2-O 3.42Å; F146-V157 HydrophobicContact CD1-CG2 4.49Å; F146-V157 HydrophobicContact CD2-CG2 3.53Å; F146-V157 HydrophobicContact CE2-CB 4.18Å; F146-V157 HydrophobicContact CE2-CG2 3.58Å; F146-V157 HydrophobicContact CG-CG2 4.01Å; F146-V157 HydrophobicContact CZ-CB 4.28Å; F146-V157 HydrophobicContact CZ-CG2 4.1Å; F146-Y158 HydrophobicContact CE1-CE2 4.12Å; F146-Y158 HydrophobicContact CZ-CE2 4.26Å
147	H	78.5	Confident	83	Confident	105 Å²	105	68.7 Å²	68.7	49%	0.486	38%	0.38	S	S	.	.			trans	-134.9	114.9	172.4	-136.7	-56.2	0	0	0	109.7	Y100 T149 E153	Y100-H147 PolarHBondContact OH-CD2 3.3Å; Y100-H147 PolarHBondContact OH-CE1 2.94Å; Y100-H147 VanDerWaalsContact OH-CE1 3.28Å; Y100-H147 PolarHBondContact OH-ND1 2.92Å; Y100-H147 PolarHBondContact OH-NE2 2.95Å; H147-T149 VanDerWaalsContact C-N 3.3Å; H147-T149 HydrophobicContact CB-CG2 4.5Å; H147-T149 PolarHBondContact O-N 2.87Å; H147-E153 PolarHBondContact N-OE1 2.84Å; H147-E153 VanDerWaalsContact O-OE2 3.05Å
148	P	72.9	Confident	82.7	Confident	19 Å²	19	65.8 Å²	65.8	12%	0.123	36%	0.363	C	S	.	.			trans	-71.9	83.7	-174	31.7	-39.6	0	0	0	110.7	D102 R103 F146	D102-P148 HydrophobicContact CB-CG 4.32Å; D102-P148 WeakPolarHBondContact O-CG 3.5Å; R103-P148 HydrophobicContact CG-CG 4.3Å; F146-P148 HydrophobicContact CE1-CB 4.4Å; F146-P148 HydrophobicContact CZ-CB 4.18Å
149	T	73.5	Confident	82.2	Confident	109 Å²	109	67.1 Å²	67.1	67%	0.669	38%	0.376	S	S	*	.			trans	-108.6	-36.2	179.1	57.5	0	0	0	0	111.9	H147	H147-T149 VanDerWaalsContact C-N 3.3Å; H147-T149 HydrophobicContact CB-CG2 4.5Å; H147-T149 PolarHBondContact O-N 2.87Å
150	N	75.9	Confident	81.7	Confident	79 Å²	79	64.4 Å²	64.4	42%	0.422	37%	0.374	S	S	.	.	S	Bend	trans	-124.7	164.9	178.6	70.3	47.6	0	0	0	111.7	D152 E153 F154	N150-D152 PolarHBondContact OD1-N 3.44Å; N150-E153 WeakPolarHBondContact OD1-CB 3.18Å; N150-E153 PolarHBondContact OD1-N 2.64Å; N150-F154 PolarHBondContact O-N 3.13Å
151	V	73.2	Confident	81.2	Confident	104 Å²	104	57.6 Å²	57.6	63%	0.63	34%	0.337	S	S	*	.	H	α-helix	trans	-71.1	-34.2	-176.7	179.2	0	0	0	0	111.8	F154 L155	V151-F154 PolarHBondContact O-N 3.33Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.25Å; V151-L155 WeakPolarHBondContact O-CB 3.37Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.15Å
152	D	72.8	Confident	80.6	Confident	129 Å²	129	56.2 Å²	56.2	69%	0.69	33%	0.329	S	S	*	.	H	α-helix	trans	-69.1	-39.8	-176.3	-62.8	-39.3	0	0	0	112.1	N150 L155 G156	N150-D152 PolarHBondContact OD1-N 3.44Å; D152-L155 PolarHBondContact O-N 3.37Å; D152-G156 PolarHBondContact O-N 3.48Å
153	E	77.3	Confident	79.5	Confident	59 Å²	59	60.4 Å²	60.4	28%	0.276	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-43.8	176.4	-163.1	-178.5	164.7	0	0	110.3	F146 H147 N150 L155 G156 V157	F146-E153 HydrophobicContact CD2-CG 3.86Å; F146-E153 HydrophobicContact CE2-CB 4.47Å; F146-E153 HydrophobicContact CE2-CG 3.85Å; F146-E153 WeakPolarHBondContact CE2-O 3.42Å; H147-E153 PolarHBondContact N-OE1 2.84Å; H147-E153 VanDerWaalsContact O-OE2 3.05Å; N150-E153 WeakPolarHBondContact OD1-CB 3.18Å; N150-E153 PolarHBondContact OD1-N 2.64Å; E153-L155 PolarHBondContact O-N 3.44Å; E153-G156 PolarHBondContact O-N 3.42Å; E153-G156 VanDerWaalsContact O-N 3.13Å; E153-V157 PolarHBondContact O-N 3.04Å
154	F	81.4	Confident	77.6	Confident	56 Å²	56	62.5 Å²	62.5	25%	0.246	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-46.7	173.5	177.6	-92.3	0	0	0	111.9	T104 F127 N150 V151 G156 V157 Y158	T104-F154 HydrophobicContact CG2-CE2 4.19Å; F127-F154 HydrophobicContact CE1-CZ 4.33Å; F127-F154 HydrophobicContact CZ-CE1 4.46Å; F127-F154 AromaticContact CZ-CZ 3.87Å; F127-F154 HydrophobicContact CZ-CZ 3.87Å; N150-F154 PolarHBondContact O-N 3.13Å; V151-F154 PolarHBondContact O-N 3.33Å; F154-G156 VanDerWaalsContact C-N 3.26Å; F154-G156 PolarHBondContact O-N 3.3Å; F154-V157 PolarHBondContact O-N 3.48Å; F154-Y158 AromaticContact CD2-CD2 3.72Å; F154-Y158 HydrophobicContact CD2-CD2 3.72Å; F154-Y158 HydrophobicContact CD2-CE2 4.29Å; F154-Y158 AromaticContact CE2-CD2 3.49Å; F154-Y158 HydrophobicContact CE2-CD2 3.49Å; F154-Y158 VanDerWaalsContact CE2-CD2 3.49Å; F154-Y158 HydrophobicContact CE2-CE2 4.03Å; F154-Y158 HydrophobicContact CE2-CG 4.06Å; F154-Y158 HydrophobicContact CG-CD2 4.39Å; F154-Y158 AromaticContact CZ-CD2 3.99Å; F154-Y158 HydrophobicContact CZ-CD2 3.99Å; F154-Y158 HydrophobicContact CZ-CG 4.1Å; F154-Y158 PolarHBondContact O-N 3.46Å
155	L	78.9	Confident	75.5	Confident	77 Å²	77	69.6 Å²	69.6	40%	0.403	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-28.5	175.9	-74.1	172.4	0	0	0	112.5	V151 D152 E153 V157 G159 I162	V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.25Å; V151-L155 WeakPolarHBondContact O-CB 3.37Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.15Å; D152-L155 PolarHBondContact O-N 3.37Å; E153-L155 PolarHBondContact O-N 3.44Å; L155-V157 VanDerWaalsContact C-N 3.28Å; L155-V157 PolarHBondContact O-N 2.85Å; L155-G159 WeakPolarHBondContact O-CA 3.22Å; L155-G159 PolarHBondContact O-N 2.98Å; L155-I162 HydrophobicContact CD2-CD1 3.57Å
156	G	80.5	Confident	73.4	Confident	64 Å²	64	71.5 Å²	71.5	66%	0.66	39%	0.394	S	S	*	.	H	α-helix	trans	-61.4	-35.2	174.3	0	0	0	0	0	113.1	D152 E153 F154	D152-G156 PolarHBondContact O-N 3.48Å; E153-G156 PolarHBondContact O-N 3.42Å; E153-G156 VanDerWaalsContact O-N 3.13Å; F154-G156 VanDerWaalsContact C-N 3.26Å; F154-G156 PolarHBondContact O-N 3.3Å
157	V	85.1	Confident	71.4	Confident	22 Å²	22	77.6 Å²	77.6	13%	0.133	43%	0.434	C	S	.	.	H	α-helix	trans	-93.3	-51.7	178.9	179.3	0	0	0	0	111.7	V134 I136 F146 E153 F154 L155 P160	V134-V157 HydrophobicContact CB-CG1 4.18Å; V134-V157 VanDerWaalsContact CG1-O 3.27Å; V134-V157 WeakPolarHBondContact CG1-O 3.42Å; I136-V157 HydrophobicContact CG2-CG1 3.96Å; I136-V157 HydrophobicContact CG2-CG2 4.18Å; F146-V157 HydrophobicContact CD1-CG2 4.49Å; F146-V157 HydrophobicContact CD2-CG2 3.53Å; F146-V157 HydrophobicContact CE2-CB 4.18Å; F146-V157 HydrophobicContact CE2-CG2 3.58Å; F146-V157 HydrophobicContact CG-CG2 4.01Å; F146-V157 HydrophobicContact CZ-CB 4.28Å; F146-V157 HydrophobicContact CZ-CG2 4.1Å; E153-V157 PolarHBondContact O-N 3.04Å; F154-V157 PolarHBondContact O-N 3.48Å; L155-V157 VanDerWaalsContact C-N 3.28Å; L155-V157 PolarHBondContact O-N 2.85Å; V157-P160 WeakPolarHBondContact O-CD 3.47Å
158	Y	85.3	Confident	69.7	Low	0 Å²	0	76.3 Å²	76.3	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-94	-0.2	-172.7	-69.1	-78.3	0	0	0	114.4	D102 T104 T105 F127 V134 F146 F154 P160 C161	D102-Y158 PolarHBondContact OD1-OH 2.92Å; D102-Y158 WeakPolarHBondContact OD2-CE2 3.18Å; D102-Y158 PolarHBondContact OD2-OH 3.19Å; T104-Y158 WeakPolarHBondContact CB-OH 3.33Å; T104-Y158 HydrophobicContact CG2-CD1 4.12Å; T104-Y158 HydrophobicContact CG2-CD2 4.37Å; T104-Y158 HydrophobicContact CG2-CE1 3.6Å; T104-Y158 HydrophobicContact CG2-CE2 3.87Å; T104-Y158 HydrophobicContact CG2-CG 4.48Å; T104-Y158 VanDerWaalsContact CG2-CZ 3.46Å; T105-Y158 WeakPolarHBondContact CB-OH 3.43Å; T105-Y158 PolarHBondContact OG1-OH 3.01Å; F127-Y158 AromaticContact CE2-CD1 3.47Å; F127-Y158 HydrophobicContact CE2-CD1 3.47Å; F127-Y158 VanDerWaalsContact CE2-CD1 3.47Å; F127-Y158 HydrophobicContact CE2-CE1 4.09Å; F127-Y158 HydrophobicContact CE2-CG 4.14Å; F127-Y158 AromaticContact CZ-CD1 3.59Å; F127-Y158 HydrophobicContact CZ-CD1 3.59Å; F127-Y158 HydrophobicContact CZ-CE1 4.49Å; F127-Y158 AromaticContact CZ-CG 3.76Å; F127-Y158 HydrophobicContact CZ-CG 3.76Å; V134-Y158 HydrophobicContact CG1-CD1 4.07Å; V134-Y158 HydrophobicContact CG1-CE1 4.47Å; V134-Y158 HydrophobicContact CG2-CE1 4.19Å; F146-Y158 HydrophobicContact CE1-CE2 4.12Å; F146-Y158 HydrophobicContact CZ-CE2 4.26Å; F154-Y158 AromaticContact CD2-CD2 3.72Å; F154-Y158 HydrophobicContact CD2-CD2 3.72Å; F154-Y158 HydrophobicContact CD2-CE2 4.29Å; F154-Y158 AromaticContact CE2-CD2 3.49Å; F154-Y158 HydrophobicContact CE2-CD2 3.49Å; F154-Y158 VanDerWaalsContact CE2-CD2 3.49Å; F154-Y158 HydrophobicContact CE2-CE2 4.03Å; F154-Y158 HydrophobicContact CE2-CG 4.06Å; F154-Y158 HydrophobicContact CG-CD2 4.39Å; F154-Y158 AromaticContact CZ-CD2 3.99Å; F154-Y158 HydrophobicContact CZ-CD2 3.99Å; F154-Y158 HydrophobicContact CZ-CG 4.1Å; F154-Y158 PolarHBondContact O-N 3.46Å; Y158-P160 VanDerWaalsContact C-N 3.29Å; Y158-C161 VanDerWaalsContact O-CB 3.28Å; Y158-C161 WeakPolarHBondContact O-CB 3.13Å; Y158-C161 PolarHBondContact O-N 2.95Å
159	G	81.5	Confident	68	Low	27 Å²	27	77.6 Å²	77.6	28%	0.278	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-48.2	-43.5	173.8	0	0	0	0	0	114.1	L155 C161 I162	L155-G159 WeakPolarHBondContact O-CA 3.22Å; L155-G159 PolarHBondContact O-N 2.98Å; G159-C161 PolarHBondContact O-N 3.38Å; G159-I162 PolarHBondContact O-N 3.48Å; G159-I162 VanDerWaalsContact O-O 3.05Å
160	P	80.8	Confident	66.4	Low	63 Å²	63	78.7 Å²	78.7	41%	0.409	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.4	176.5	-24.9	35.7	0	0	0	115.1	N129 A132 V157 Y158 I162	N129-P160 WeakPolarHBondContact CB-O 3.39Å; N129-P160 PolarHBondContact ND2-O 3.49Å; A132-P160 HydrophobicContact CB-CB 3.9Å; A132-P160 WeakPolarHBondContact CB-O 3.24Å; V157-P160 WeakPolarHBondContact O-CD 3.47Å; Y158-P160 VanDerWaalsContact C-N 3.29Å; P160-I162 VanDerWaalsContact C-N 3.33Å
161	C	81.1	Confident	64.8	Low	0 Å²	0	77.9 Å²	77.9	0%	0	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-75.1	-27	178.4	-57.7	0	0	0	0	112.5	C120 F127 S128 N129 V134 Y158 G159	C120-C161 HydrophobicContact CB-CB 3.66Å; C120-C161 WeakPolarHBondContact CB-SG 3.34Å; C120-C161 WeakPolarHBondContact SG-CA 3.22Å; C120-C161 WeakPolarHBondContact SG-CB 3.42Å; C120-C161 CovalentContact SG-SG 2.02Å; C120-C161 PolarHBondContact SG-SG 2.88Å; F127-C161 WeakPolarHBondContact CA-O 3.34Å; F127-C161 HydrophobicContact CB-CB 4.05Å; F127-C161 HydrophobicContact CD1-CB 3.69Å; F127-C161 HydrophobicContact CD2-CB 3.64Å; F127-C161 HydrophobicContact CE1-CB 4Å; F127-C161 HydrophobicContact CE2-CB 3.96Å; F127-C161 HydrophobicContact CG-CB 3.51Å; F127-C161 HydrophobicContact CZ-CB 4.14Å; S128-C161 PolarHBondContact N-O 3.28Å; N129-C161 PolarHBondContact N-O 3.26Å; V134-C161 WeakPolarHBondContact CG1-SG 3.48Å; Y158-C161 VanDerWaalsContact O-CB 3.28Å; Y158-C161 WeakPolarHBondContact O-CB 3.13Å; Y158-C161 PolarHBondContact O-N 2.95Å; G159-C161 PolarHBondContact O-N 3.38Å
162	I	78.2	Confident	63.4	Low	62 Å²	62	75.5 Å²	75.5	32%	0.318	43%	0.432	S	S	.	.	S	Bend	trans	-84	126.1	176	-54.9	168.8	0	0	0	106.4	F127 L155 G159 P160	F127-I162 HydrophobicContact CD1-CG1 4Å; F127-I162 HydrophobicContact CE1-CD1 4.45Å; F127-I162 HydrophobicContact CE1-CG1 3.91Å; L155-I162 HydrophobicContact CD2-CD1 3.57Å; G159-I162 PolarHBondContact O-N 3.48Å; G159-I162 VanDerWaalsContact O-O 3.05Å; P160-I162 VanDerWaalsContact C-N 3.33Å
163	K	62.8	Low	62	Low	132 Å²	132	72.4 Å²	72.4	57%	0.574	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-53.4	130.4	175	-101.6	172.6	-169.8	-177.2	0	108.6	S128 R165	S128-K163 WeakPolarHBondContact OG-CB 3.24Å; S128-K163 VanDerWaalsContact OG-CD 3.28Å; S128-K163 WeakPolarHBondContact OG-CD 3.07Å; S128-K163 WeakPolarHBondContact OG-CG 3.32Å; K163-R165 PolarHBondContact O-N 3.49Å; K163-R165 VanDerWaalsContact O-N 3.13Å
164	P	51.5	Low	60.6	Low	104 Å²	104	72.6 Å²	72.6	68%	0.675	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-49.9	126.6	172.1	-24	31.4	0	0	0	108.4	D166	P164-D166 PolarHBondContact O-N 2.96Å
165	R	43.9	Very low	59.2	Low	176 Å²	176	72.2 Å²	72.2	66%	0.664	44%	0.44	S	S	*	.			trans	-57.1	107	167.4	-178.5	179.1	-171.6	136.6	1.1	105.7	K163 P167 S172	K163-R165 PolarHBondContact O-N 3.49Å; K163-R165 VanDerWaalsContact O-N 3.13Å; R165-P167 WeakPolarHBondContact O-CD 3.47Å; R165-S172 PolarHBondContact NH2-OG 3.24Å
166	D	42.4	Very low	58.2	Low	108 Å²	108	71.6 Å²	71.6	58%	0.578	44%	0.442	S	S	*	.			trans	-49.5	122.8	176.2	-80	-42	0	0	0	107.8	P164 S168 T169	P164-D166 PolarHBondContact O-N 2.96Å; D166-S168 PolarHBondContact O-N 3.41Å; D166-T169 WeakPolarHBondContact O-CB 3.05Å; D166-T169 PolarHBondContact O-N 3.42Å; D166-T169 PolarHBondContact O-OG1 3.49Å
167	P	41.7	Very low	57.2	Low	134 Å²	134	75.2 Å²	75.2	87%	0.87	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-3.5	-179.2	19.7	-28.2	0	0	0	113.1	R165 T169	R165-P167 WeakPolarHBondContact O-CD 3.47Å; P167-T169 PolarHBondContact O-N 2.79Å
168	S	42.7	Very low	56	Low	78 Å²	78	76.4 Å²	76.4	55%	0.545	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	8.9	164.1	53.7	0	0	0	0	114.7	D166	D166-S168 PolarHBondContact O-N 3.41Å
169	T	38.5	Very low	54.8	Low	47 Å²	47	78.7 Å²	78.7	29%	0.288	46%	0.456	S	S	.	.			trans	-108.3	53.6	-175.5	-35.6	0	0	0	0	113.9	D166 P167 Q171	D166-T169 WeakPolarHBondContact O-CB 3.05Å; D166-T169 PolarHBondContact O-N 3.42Å; D166-T169 PolarHBondContact O-OG1 3.49Å; P167-T169 PolarHBondContact O-N 2.79Å; T169-Q171 HydrophobicContact CG2-CB 4.1Å; T169-Q171 PolarHBondContact O-N 3.5Å
170	T	39.7	Very low	54.1	Low	131 Å²	131	80 Å²	80	80%	0.804	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-6.4	140.5	36.4	0	0	0	0	111.4	S172	T170-S172 VanDerWaalsContact C-N 3.31Å; T170-S172 PolarHBondContact O-N 3.27Å
171	Q	41.7	Very low	53.5	Low	63 Å²	63	78.7 Å²	78.7	29%	0.294	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-9.8	176.4	-63.7	-178.5	13.8	0	0	116.1	T169 A173 S174 A175 L588	T169-Q171 HydrophobicContact CG2-CB 4.1Å; T169-Q171 PolarHBondContact O-N 3.5Å; Q171-A173 PolarHBondContact O-N 3.01Å; Q171-S174 WeakPolarHBondContact CA-OG 3.2Å; Q171-S174 PolarHBondContact O-N 2.96Å; Q171-S174 PolarHBondContact O-OG 3.33Å; Q171-S174 VanDerWaalsContact O-OG 3.06Å; Q171-A175 WeakPolarHBondContact O-CB 3.48Å; Q171-A175 PolarHBondContact O-N 3.14Å; Q171-L588 PolarHBondContact NE2-O 2.73Å
172	S	42.9	Very low	52.9	Low	53 Å²	53	79.7 Å²	79.7	37%	0.371	46%	0.457	S	S	.	.	H	α-helix	trans	-69.3	-33.7	179.9	63.1	0	0	0	0	113.3	R165 T170 S176	R165-S172 PolarHBondContact NH2-OG 3.24Å; T170-S172 VanDerWaalsContact C-N 3.31Å; T170-S172 PolarHBondContact O-N 3.27Å; S172-S176 WeakPolarHBondContact O-CB 3.32Å; S172-S176 PolarHBondContact O-N 3.44Å; S172-S176 PolarHBondContact O-OG 3.22Å
173	A	43.2	Very low	52.4	Low	65 Å²	65	84.4 Å²	84.4	54%	0.537	47%	0.471	S	S	.	.	H	α-helix	trans	-71.8	-43.2	174.7	0	0	0	0	0	111.1	Q171 S176 Y177	Q171-A173 PolarHBondContact O-N 3.01Å; A173-S176 WeakPolarHBondContact CA-OG 3.3Å; A173-S176 PolarHBondContact O-N 3.48Å; A173-S176 PolarHBondContact O-OG 2.81Å; A173-Y177 VanDerWaalsContact O-CB 3.29Å; A173-Y177 WeakPolarHBondContact O-CB 3.13Å; A173-Y177 PolarHBondContact O-N 3.24Å
174	S	49	Very low	53	Low	63 Å²	63	83.7 Å²	83.7	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-68.4	-37.3	176.3	59.2	0	0	0	0	112.2	Q171 L178	Q171-S174 WeakPolarHBondContact CA-OG 3.2Å; Q171-S174 PolarHBondContact O-N 2.96Å; Q171-S174 PolarHBondContact O-OG 3.33Å; Q171-S174 VanDerWaalsContact O-OG 3.06Å; S174-L178 WeakPolarHBondContact O-CB 3.34Å; S174-L178 PolarHBondContact O-N 3.43Å
175	A	52.4	Low	53.9	Low	47 Å²	47	79.1 Å²	79.1	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-41.5	175.2	0	0	0	0	0	112.5	Q171 T179	Q171-A175 WeakPolarHBondContact O-CB 3.48Å; Q171-A175 PolarHBondContact O-N 3.14Å; A175-T179 WeakPolarHBondContact O-CB 3.38Å; A175-T179 VanDerWaalsContact O-CG2 3.23Å; A175-T179 WeakPolarHBondContact O-CG2 3.47Å; A175-T179 PolarHBondContact O-N 3Å; A175-T179 PolarHBondContact O-OG1 2.75Å
176	S	56.5	Low	55.3	Low	64 Å²	64	72.7 Å²	72.7	45%	0.448	42%	0.42	S	S	.	.	H	α-helix	trans	-67.9	-38.9	175.3	55.5	0	0	0	0	112.4	S172 A173 T179 S180	S172-S176 WeakPolarHBondContact O-CB 3.32Å; S172-S176 PolarHBondContact O-N 3.44Å; S172-S176 PolarHBondContact O-OG 3.22Å; A173-S176 WeakPolarHBondContact CA-OG 3.3Å; A173-S176 PolarHBondContact O-N 3.48Å; A173-S176 PolarHBondContact O-OG 2.81Å; S176-T179 WeakPolarHBondContact CA-OG1 3.32Å; S176-T179 PolarHBondContact O-OG1 2.94Å; S176-S180 WeakPolarHBondContact O-CB 3.45Å; S176-S180 PolarHBondContact O-N 3.3Å; S176-S180 PolarHBondContact O-OG 3.05Å
177	Y	60.3	Low	57	Low	141 Å²	141	73.6 Å²	73.6	55%	0.553	42%	0.419	S	S	*	.	H	α-helix	trans	-63	-51.4	171.4	178.3	-103.7	0	0	0	111.5	A173 T179 S180 V181	A173-Y177 VanDerWaalsContact O-CB 3.29Å; A173-Y177 WeakPolarHBondContact O-CB 3.13Å; A173-Y177 PolarHBondContact O-N 3.24Å; Y177-T179 PolarHBondContact O-N 3.01Å; Y177-S180 WeakPolarHBondContact O-CB 3.38Å; Y177-S180 PolarHBondContact O-N 3.48Å; Y177-V181 HydrophobicContact CD1-CG2 4.14Å; Y177-V181 HydrophobicContact CD2-CG2 4.3Å; Y177-V181 HydrophobicContact CE1-CG2 3.75Å; Y177-V181 HydrophobicContact CE2-CG2 3.9Å; Y177-V181 HydrophobicContact CG-CG2 4.41Å; Y177-V181 WeakPolarHBondContact O-CG2 3.47Å; Y177-V181 PolarHBondContact O-N 2.8Å
178	L	60.4	Low	59	Low	46 Å²	46	69.3 Å²	69.3	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-55.2	-48.3	177.4	174.5	61.8	0	0	0	111.6	S174 S180 V181 L182 L429	S174-L178 WeakPolarHBondContact O-CB 3.34Å; S174-L178 PolarHBondContact O-N 3.43Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S180 PolarHBondContact O-N 3.46Å; L178-V181 PolarHBondContact O-N 3.46Å; L178-L182 HydrophobicContact CD1-CD1 3.92Å; L178-L182 HydrophobicContact CD1-CG 4.16Å; L178-L182 HydrophobicContact CG-CD1 3.91Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.26Å; L178-L182 PolarHBondContact O-N 2.89Å; L178-L429 HydrophobicContact CD1-CD1 3.75Å; L178-L429 HydrophobicContact CD1-CD2 3.32Å; L178-L429 HydrophobicContact CD1-CG 4.13Å
179	T	59.9	Low	60.9	Low	49 Å²	49	65.6 Å²	65.6	30%	0.301	37%	0.367	S	S	.	.	H	α-helix	trans	-63.7	-36.1	177.5	51.4	0	0	0	0	112.3	A175 S176 Y177 R183	A175-T179 WeakPolarHBondContact O-CB 3.38Å; A175-T179 VanDerWaalsContact O-CG2 3.23Å; A175-T179 WeakPolarHBondContact O-CG2 3.47Å; A175-T179 PolarHBondContact O-N 3Å; A175-T179 PolarHBondContact O-OG1 2.75Å; S176-T179 WeakPolarHBondContact CA-OG1 3.32Å; S176-T179 PolarHBondContact O-OG1 2.94Å; Y177-T179 PolarHBondContact O-N 3.01Å; T179-R183 VanDerWaalsContact O-CG 3.28Å; T179-R183 WeakPolarHBondContact O-CG 3.5Å; T179-R183 PolarHBondContact O-N 3.05Å
180	S	65.6	Low	63.1	Low	55 Å²	55	64.7 Å²	64.7	39%	0.385	36%	0.361	S	S	.	.	H	α-helix	trans	-68	-45.6	175.9	-58.5	0	0	0	0	111.9	S176 Y177 L178 L182 R183 I184	S176-S180 WeakPolarHBondContact O-CB 3.45Å; S176-S180 PolarHBondContact O-N 3.3Å; S176-S180 PolarHBondContact O-OG 3.05Å; Y177-S180 WeakPolarHBondContact O-CB 3.38Å; Y177-S180 PolarHBondContact O-N 3.48Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S180 PolarHBondContact O-N 3.46Å; S180-L182 VanDerWaalsContact C-N 3.32Å; S180-L182 PolarHBondContact O-N 3.2Å; S180-R183 PolarHBondContact O-N 3.31Å; S180-I184 WeakPolarHBondContact O-CG1 3.43Å; S180-I184 PolarHBondContact O-N 3.34Å
181	V	68.9	Low	65.4	Low	34 Å²	34	61.3 Å²	61.3	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-44.2	175.5	172.1	0	0	0	0	110.7	Y177 L178 R183 I184 A185 L429	Y177-V181 HydrophobicContact CD1-CG2 4.14Å; Y177-V181 HydrophobicContact CD2-CG2 4.3Å; Y177-V181 HydrophobicContact CE1-CG2 3.75Å; Y177-V181 HydrophobicContact CE2-CG2 3.9Å; Y177-V181 HydrophobicContact CG-CG2 4.41Å; Y177-V181 WeakPolarHBondContact O-CG2 3.47Å; Y177-V181 PolarHBondContact O-N 2.8Å; L178-V181 PolarHBondContact O-N 3.46Å; V181-R183 PolarHBondContact O-N 3.43Å; V181-I184 PolarHBondContact O-N 3.12Å; V181-A185 WeakPolarHBondContact O-CB 3.21Å; V181-A185 PolarHBondContact O-N 3.39Å; V181-L429 HydrophobicContact CB-CD2 4.42Å; V181-L429 HydrophobicContact CG1-CD2 3.9Å; V181-L429 HydrophobicContact CG1-CG 4.48Å
182	L	68	Low	67.8	Low	22 Å²	22	58.5 Å²	58.5	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-42.7	176.4	-73.3	170.3	0	0	0	112.2	L178 S180 I184 A185 Q186 L429 L568	L178-L182 HydrophobicContact CD1-CD1 3.92Å; L178-L182 HydrophobicContact CD1-CG 4.16Å; L178-L182 HydrophobicContact CG-CD1 3.91Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.26Å; L178-L182 PolarHBondContact O-N 2.89Å; S180-L182 VanDerWaalsContact C-N 3.32Å; S180-L182 PolarHBondContact O-N 3.2Å; L182-I184 VanDerWaalsContact C-N 3.35Å; L182-I184 PolarHBondContact O-N 3.35Å; L182-A185 PolarHBondContact O-N 2.5Å; L182-Q186 WeakPolarHBondContact O-CB 3.12Å; L182-Q186 WeakPolarHBondContact O-CG 3.5Å; L182-Q186 PolarHBondContact O-N 3.01Å; L182-L429 HydrophobicContact CD2-CD1 3.76Å; L182-L429 HydrophobicContact CG-CD1 4.33Å; L182-L568 HydrophobicContact CD1-CD1 4.13Å; L182-L568 HydrophobicContact CD2-CD1 3.21Å; L182-L568 HydrophobicContact CG-CD1 4.31Å
183	R	68.1	Low	70.1	Confident	160 Å²	160	56.2 Å²	56.2	60%	0.604	31%	0.311	S	S	*	.	H	α-helix	trans	-62.8	-39.6	175.4	-73.5	179.2	-142.5	179.6	4.4	112.6	T179 S180 V181 Q186 F187	T179-R183 VanDerWaalsContact O-CG 3.28Å; T179-R183 WeakPolarHBondContact O-CG 3.5Å; T179-R183 PolarHBondContact O-N 3.05Å; S180-R183 PolarHBondContact O-N 3.31Å; V181-R183 PolarHBondContact O-N 3.43Å; R183-Q186 WeakPolarHBondContact O-CB 3.43Å; R183-Q186 PolarHBondContact O-N 3.19Å; R183-F187 WeakPolarHBondContact O-CB 3.39Å; R183-F187 PolarHBondContact O-N 2.96Å
184	I	75.2	Confident	72.5	Confident	117 Å²	117	55.3 Å²	55.3	60%	0.6	30%	0.3	S	S	*	.	H	α-helix	trans	-67.7	-41.8	176.8	-65.2	164.6	0	0	0	110.5	S180 V181 L182 Q186 F187 S188	S180-I184 WeakPolarHBondContact O-CG1 3.43Å; S180-I184 PolarHBondContact O-N 3.34Å; V181-I184 PolarHBondContact O-N 3.12Å; L182-I184 VanDerWaalsContact C-N 3.35Å; L182-I184 PolarHBondContact O-N 3.35Å; I184-Q186 VanDerWaalsContact C-N 3.34Å; I184-Q186 PolarHBondContact O-N 3.24Å; I184-F187 PolarHBondContact O-N 2.87Å; I184-S188 WeakPolarHBondContact O-CB 3.28Å; I184-S188 PolarHBondContact O-N 3Å; I184-S188 PolarHBondContact O-OG 3.29Å
185	A	71.6	Confident	74.7	Confident	8 Å²	8	56.1 Å²	56.1	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-40.8	175.1	0	0	0	0	0	111.6	V181 L182 S188 G189 H436	V181-A185 WeakPolarHBondContact O-CB 3.21Å; V181-A185 PolarHBondContact O-N 3.39Å; L182-A185 PolarHBondContact O-N 2.5Å; A185-S188 WeakPolarHBondContact CA-OG 3.18Å; A185-S188 PolarHBondContact O-OG 3.27Å; A185-G189 PolarHBondContact O-N 2.98Å; A185-H436 PolarHBondContact O-CD2 2.86Å
186	Q	71.7	Confident	76.8	Confident	41 Å²	41	53.9 Å²	53.9	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-53.9	174.2	-74	162.5	13.2	0	0	112.1	L182 R183 I184 S188 G189 V190 V571	L182-Q186 WeakPolarHBondContact O-CB 3.12Å; L182-Q186 WeakPolarHBondContact O-CG 3.5Å; L182-Q186 PolarHBondContact O-N 3.01Å; R183-Q186 WeakPolarHBondContact O-CB 3.43Å; R183-Q186 PolarHBondContact O-N 3.19Å; I184-Q186 VanDerWaalsContact C-N 3.34Å; I184-Q186 PolarHBondContact O-N 3.24Å; Q186-S188 VanDerWaalsContact C-N 3.31Å; Q186-S188 PolarHBondContact O-N 3.33Å; Q186-G189 PolarHBondContact O-N 2.98Å; Q186-V190 WeakPolarHBondContact O-CG2 2.97Å; Q186-V190 PolarHBondContact O-N 3.1Å; Q186-V571 HydrophobicContact CB-CG1 4.39Å; Q186-V571 VanDerWaalsContact CD-CG2 3.44Å; Q186-V571 HydrophobicContact CG-CB 3.84Å; Q186-V571 HydrophobicContact CG-CG1 3.13Å; Q186-V571 HydrophobicContact CG-CG2 3.51Å
187	F	79.3	Confident	78.7	Confident	127 Å²	127	52.3 Å²	52.3	56%	0.557	27%	0.267	S	S	*	.	H	α-helix	trans	-61.3	-44.1	-177.5	-178.3	-100.8	0	0	0	110.9	R183 I184 G189 V190 V191	R183-F187 WeakPolarHBondContact O-CB 3.39Å; R183-F187 PolarHBondContact O-N 2.96Å; I184-F187 PolarHBondContact O-N 2.87Å; F187-G189 VanDerWaalsContact C-N 3.34Å; F187-G189 PolarHBondContact O-N 3.19Å; F187-V190 PolarHBondContact O-N 3.29Å; F187-V191 HydrophobicContact CD1-CG2 4.32Å; F187-V191 HydrophobicContact CE1-CG2 3.93Å; F187-V191 HydrophobicContact CE2-CG2 4.38Å; F187-V191 HydrophobicContact CZ-CG2 3.96Å; F187-V191 VanDerWaalsContact O-CG2 3.3Å; F187-V191 WeakPolarHBondContact O-CG2 3.35Å; F187-V191 PolarHBondContact O-N 3.24Å
188	S	82.6	Confident	80.5	Confident	45 Å²	45	51 Å²	51	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-37.8	177.4	62	0	0	0	0	112.6	I184 A185 Q186 G192	I184-S188 WeakPolarHBondContact O-CB 3.28Å; I184-S188 PolarHBondContact O-N 3Å; I184-S188 PolarHBondContact O-OG 3.29Å; A185-S188 WeakPolarHBondContact CA-OG 3.18Å; A185-S188 PolarHBondContact O-OG 3.27Å; Q186-S188 VanDerWaalsContact C-N 3.31Å; Q186-S188 PolarHBondContact O-N 3.33Å; S188-G192 PolarHBondContact O-N 3.41Å
189	G	82.6	Confident	82.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-46.9	173.4	0	0	0	0	0	113.8	A185 Q186 F187 V191 G192 Y193 H436 S440	A185-G189 PolarHBondContact O-N 2.98Å; Q186-G189 PolarHBondContact O-N 2.98Å; F187-G189 VanDerWaalsContact C-N 3.34Å; F187-G189 PolarHBondContact O-N 3.19Å; G189-V191 PolarHBondContact O-N 3.01Å; G189-G192 WeakPolarHBondContact O-CA 3.41Å; G189-G192 PolarHBondContact O-N 3.43Å; G189-G192 VanDerWaalsContact O-N 3.15Å; G189-Y193 WeakPolarHBondContact O-CD2 3.27Å; G189-Y193 PolarHBondContact O-N 3.3Å; G189-H436 WeakPolarHBondContact CA-NE2 3.33Å; G189-S440 WeakPolarHBondContact O-CB 3.37Å
190	V	85.1	Confident	84	Confident	27 Å²	27	47 Å²	47	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-45.4	178	173.3	0	0	0	0	111	Q186 F187 G192 Y193 C194 Y239	Q186-V190 WeakPolarHBondContact O-CG2 2.97Å; Q186-V190 PolarHBondContact O-N 3.1Å; F187-V190 PolarHBondContact O-N 3.29Å; V190-G192 VanDerWaalsContact C-N 3.29Å; V190-G192 PolarHBondContact O-N 2.99Å; V190-Y193 PolarHBondContact O-N 2.77Å; V190-C194 PolarHBondContact O-N 3.25Å; V190-C194 PolarHBondContact O-SG 3.46Å; V190-C194 VanDerWaalsContact O-SG 3.37Å; V190-Y239 HydrophobicContact CB-CD1 4.45Å; V190-Y239 HydrophobicContact CG1-CD1 3.85Å; V190-Y239 HydrophobicContact CG1-CE1 4.07Å; V190-Y239 HydrophobicContact CG1-CG 4.31Å; V190-Y239 HydrophobicContact CG2-CD1 3.78Å; V190-Y239 HydrophobicContact CG2-CD2 3.45Å; V190-Y239 VanDerWaalsContact CG2-CD2 3.45Å; V190-Y239 HydrophobicContact CG2-CE1 4.07Å; V190-Y239 HydrophobicContact CG2-CE2 3.78Å; V190-Y239 HydrophobicContact CG2-CG 3.44Å; V190-Y239 VanDerWaalsContact CG2-CG 3.44Å
191	V	89.3	Confident	85.6	Confident	61 Å²	61	48.3 Å²	48.3	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-58.3	-44	174.9	172.1	0	0	0	0	110.6	F187 G189 C194 I195	F187-V191 HydrophobicContact CD1-CG2 4.32Å; F187-V191 HydrophobicContact CE1-CG2 3.93Å; F187-V191 HydrophobicContact CE2-CG2 4.38Å; F187-V191 HydrophobicContact CZ-CG2 3.96Å; F187-V191 VanDerWaalsContact O-CG2 3.3Å; F187-V191 WeakPolarHBondContact O-CG2 3.35Å; F187-V191 PolarHBondContact O-N 3.24Å; G189-V191 PolarHBondContact O-N 3.01Å; V191-C194 PolarHBondContact O-N 2.82Å; V191-I195 HydrophobicContact CG1-CD1 3.99Å; V191-I195 WeakPolarHBondContact O-CG1 3.31Å; V191-I195 PolarHBondContact O-N 2.86Å; V191-I195 VanDerWaalsContact O-N 3.09Å
192	G	90.6	Very high	86.9	Confident	3 Å²	3	50 Å²	50	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-47.2	175	0	0	0	0	0	113.1	S188 G189 V190 C194 I195 S196 S440	S188-G192 PolarHBondContact O-N 3.41Å; G189-G192 WeakPolarHBondContact O-CA 3.41Å; G189-G192 PolarHBondContact O-N 3.43Å; G189-G192 VanDerWaalsContact O-N 3.15Å; V190-G192 VanDerWaalsContact C-N 3.29Å; V190-G192 PolarHBondContact O-N 2.99Å; G192-C194 PolarHBondContact O-N 3.42Å; G192-I195 PolarHBondContact O-N 3.44Å; G192-S196 VanDerWaalsContact O-CB 3.3Å; G192-S196 WeakPolarHBondContact O-CB 3.27Å; G192-S196 PolarHBondContact O-N 3.26Å; G192-S440 CarbonylContact C-O 3.58Å
193	Y	91.5	Very high	88.3	Confident	5 Å²	5	49 Å²	49	2%	0.02	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-37	177.6	-77.9	-64.8	0	0	0	113.2	G189 V190 S196 L197 C235 S439 N573	G189-Y193 WeakPolarHBondContact O-CD2 3.27Å; G189-Y193 PolarHBondContact O-N 3.3Å; V190-Y193 PolarHBondContact O-N 2.77Å; Y193-S196 PolarHBondContact O-N 3.44Å; Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.48Å; Y193-L197 PolarHBondContact O-N 3.48Å; Y193-C235 HydrophobicContact CD1-CB 4.24Å; Y193-C235 HydrophobicContact CD2-CB 3.97Å; Y193-C235 WeakPolarHBondContact CE1-SG 3.42Å; Y193-C235 HydrophobicContact CE2-CB 4.34Å; Y193-C235 HydrophobicContact CG-CB 3.94Å; Y193-C235 VanDerWaalsContact CZ-SG 3.54Å; Y193-S439 PolarHBondContact OH-OG 3.06Å; Y193-N573 WeakPolarHBondContact CE2-ND2 3.2Å; Y193-N573 WeakPolarHBondContact OH-CB 3.29Å; Y193-N573 PolarHBondContact OH-ND2 3.27Å
194	C	94.3	Very high	89.7	Confident	46 Å²	46	41.5 Å²	41.5	31%	0.311	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-45.9	174.4	-72.4	0	0	0	0	111.9	V190 V191 G192 L197 I198	V190-C194 PolarHBondContact O-N 3.25Å; V190-C194 PolarHBondContact O-SG 3.46Å; V190-C194 VanDerWaalsContact O-SG 3.37Å; V191-C194 PolarHBondContact O-N 2.82Å; G192-C194 PolarHBondContact O-N 3.42Å; C194-L197 PolarHBondContact O-N 2.9Å; C194-I198 WeakPolarHBondContact O-CG1 3.3Å; C194-I198 PolarHBondContact O-N 3.49Å
195	I	95.5	Very high	90.7	Very high	80 Å²	80	40.6 Å²	40.6	41%	0.41	23%	0.226	S	C	.	.	H	α-helix	trans	-63.6	-45.5	177.2	-65.5	167.7	0	0	0	110.3	V191 G192 L197 I198 S199 L444	V191-I195 HydrophobicContact CG1-CD1 3.99Å; V191-I195 WeakPolarHBondContact O-CG1 3.31Å; V191-I195 PolarHBondContact O-N 2.86Å; V191-I195 VanDerWaalsContact O-N 3.09Å; G192-I195 PolarHBondContact O-N 3.44Å; I195-L197 PolarHBondContact O-N 3.42Å; I195-I198 PolarHBondContact O-N 2.98Å; I195-S199 WeakPolarHBondContact O-CB 3.33Å; I195-S199 PolarHBondContact O-N 2.91Å; I195-S199 PolarHBondContact O-OG 3.42Å; I195-L444 HydrophobicContact CG2-CD1 4.1Å; I195-L444 HydrophobicContact CG2-CD2 3.87Å; I195-L444 HydrophobicContact CG2-CG 4.46Å
196	S	95.1	Very high	91.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-50.7	175.3	179.8	0	0	0	0	111.1	G192 Y193 I198 S199 L200 S440 G443 L444	G192-S196 VanDerWaalsContact O-CB 3.3Å; G192-S196 WeakPolarHBondContact O-CB 3.27Å; G192-S196 PolarHBondContact O-N 3.26Å; Y193-S196 PolarHBondContact O-N 3.44Å; S196-I198 PolarHBondContact O-N 3.34Å; S196-S199 PolarHBondContact O-N 3.2Å; S196-S199 PolarHBondContact O-OG 2.9Å; S196-L200 WeakPolarHBondContact O-CB 3.37Å; S196-L200 VanDerWaalsContact O-CG 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.23Å; S196-L200 PolarHBondContact O-N 3.49Å; S196-S440 WeakPolarHBondContact CB-O 3.39Å; S196-G443 VanDerWaalsContact OG-CA 3.27Å; S196-G443 WeakPolarHBondContact OG-CA 3.29Å; S196-L444 PolarHBondContact OG-N 3.46Å
197	L	97.1	Very high	93	Very high	30 Å²	30	39.7 Å²	39.7	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-51.1	178.9	-179.2	61.7	0	0	0	112.2	Y193 C194 I195 S199 L200 L201 I229 F233	Y193-L197 VanDerWaalsContact O-CB 3.25Å; Y193-L197 WeakPolarHBondContact O-CB 3.48Å; Y193-L197 PolarHBondContact O-N 3.48Å; C194-L197 PolarHBondContact O-N 2.9Å; I195-L197 PolarHBondContact O-N 3.42Å; L197-S199 VanDerWaalsContact C-N 3.35Å; L197-S199 PolarHBondContact O-N 3.29Å; L197-L200 PolarHBondContact O-N 3.02Å; L197-L201 HydrophobicContact CD1-CD1 4.09Å; L197-L201 HydrophobicContact CD1-CG 4.27Å; L197-L201 HydrophobicContact CG-CD1 4.03Å; L197-L201 WeakPolarHBondContact O-CB 3.21Å; L197-L201 VanDerWaalsContact O-CG 3.23Å; L197-L201 WeakPolarHBondContact O-CG 3.47Å; L197-L201 PolarHBondContact O-N 2.89Å; L197-I229 HydrophobicContact CD1-CB 4.45Å; L197-I229 HydrophobicContact CD1-CG2 3.89Å; L197-F233 HydrophobicContact CD1-CB 4.31Å
198	I	97.8	Very high	93.7	Very high	113 Å²	113	37.8 Å²	37.8	58%	0.579	22%	0.216	S	C	*	.	H	α-helix	trans	-60.9	-46.6	179.1	-65.6	166.8	0	0	0	110.4	C194 I195 S196 L200 L201 V202	C194-I198 WeakPolarHBondContact O-CG1 3.3Å; C194-I198 PolarHBondContact O-N 3.49Å; I195-I198 PolarHBondContact O-N 2.98Å; S196-I198 PolarHBondContact O-N 3.34Å; I198-L200 PolarHBondContact O-N 3.13Å; I198-L201 PolarHBondContact O-N 2.92Å; I198-V202 WeakPolarHBondContact O-CG2 3.29Å; I198-V202 PolarHBondContact O-N 3.35Å; I198-V202 VanDerWaalsContact O-N 3.07Å
199	S	97.4	Very high	94.3	Very high	12 Å²	12	44 Å²	44	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-178.1	73.9	0	0	0	0	112.6	I195 S196 L197 V202 A203	I195-S199 WeakPolarHBondContact O-CB 3.33Å; I195-S199 PolarHBondContact O-N 2.91Å; I195-S199 PolarHBondContact O-OG 3.42Å; S196-S199 PolarHBondContact O-N 3.2Å; S196-S199 PolarHBondContact O-OG 2.9Å; L197-S199 VanDerWaalsContact C-N 3.35Å; L197-S199 PolarHBondContact O-N 3.29Å; S199-V202 PolarHBondContact O-N 2.95Å; S199-A203 WeakPolarHBondContact O-CB 3.35Å; S199-A203 PolarHBondContact O-N 3.44Å
200	L	97.7	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-39	178.4	-74.7	166.1	0	0	0	112.1	S196 L197 I198 V202 A203 A204 F225 F228 I229 G443 A447	S196-L200 WeakPolarHBondContact O-CB 3.37Å; S196-L200 VanDerWaalsContact O-CG 3.29Å; S196-L200 WeakPolarHBondContact O-CG 3.23Å; S196-L200 PolarHBondContact O-N 3.49Å; L197-L200 PolarHBondContact O-N 3.02Å; I198-L200 PolarHBondContact O-N 3.13Å; L200-V202 VanDerWaalsContact C-N 3.34Å; L200-V202 PolarHBondContact O-N 2.84Å; L200-A203 PolarHBondContact O-N 3.31Å; L200-A204 VanDerWaalsContact O-CB 3.3Å; L200-A204 WeakPolarHBondContact O-CB 3.44Å; L200-A204 PolarHBondContact O-N 3.38Å; L200-F225 HydrophobicContact CD2-CB 4.11Å; L200-F225 HydrophobicContact CD2-CD1 3.9Å; L200-F225 HydrophobicContact CD2-CG 4.16Å; L200-F228 HydrophobicContact CD1-CB 3.49Å; L200-F228 VanDerWaalsContact CD1-CB 3.49Å; L200-F228 HydrophobicContact CD2-CB 4.48Å; L200-I229 HydrophobicContact CB-CD1 4.1Å; L200-I229 HydrophobicContact CB-CG1 3.59Å; L200-I229 HydrophobicContact CD1-CG1 4.3Å; L200-G443 WeakPolarHBondContact CD2-O 3.42Å; L200-A447 HydrophobicContact CD2-CB 4.1Å; L200-A447 HydrophobicContact CG-CB 4.48Å
201	L	98	Very high	95	Very high	82 Å²	82	53.1 Å²	53.1	43%	0.429	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-46	174	-74.7	169.1	0	0	0	110.7	L197 I198 A203 A204 V205 I229	L197-L201 HydrophobicContact CD1-CD1 4.09Å; L197-L201 HydrophobicContact CD1-CG 4.27Å; L197-L201 HydrophobicContact CG-CD1 4.03Å; L197-L201 WeakPolarHBondContact O-CB 3.21Å; L197-L201 VanDerWaalsContact O-CG 3.23Å; L197-L201 WeakPolarHBondContact O-CG 3.47Å; L197-L201 PolarHBondContact O-N 2.89Å; I198-L201 PolarHBondContact O-N 2.92Å; L201-A203 PolarHBondContact O-N 3.29Å; L201-A204 PolarHBondContact O-N 3.07Å; L201-V205 WeakPolarHBondContact O-CB 3.3Å; L201-V205 VanDerWaalsContact O-CG2 3.24Å; L201-V205 WeakPolarHBondContact O-CG2 3.32Å; L201-V205 PolarHBondContact O-N 2.94Å; L201-I229 HydrophobicContact CD2-CD1 4.17Å; L201-I229 HydrophobicContact CD2-CG2 4.21Å
202	V	97.8	Very high	95	Very high	70 Å²	70	59.3 Å²	59.3	42%	0.424	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-45.2	175.3	173.7	0	0	0	0	110.9	I198 S199 L200 V205 I206 F452	I198-V202 WeakPolarHBondContact O-CG2 3.29Å; I198-V202 PolarHBondContact O-N 3.35Å; I198-V202 VanDerWaalsContact O-N 3.07Å; S199-V202 PolarHBondContact O-N 2.95Å; L200-V202 VanDerWaalsContact C-N 3.34Å; L200-V202 PolarHBondContact O-N 2.84Å; V202-V205 PolarHBondContact O-N 3.45Å; V202-I206 HydrophobicContact CG1-CD1 3.9Å; V202-I206 VanDerWaalsContact O-CG1 3.27Å; V202-I206 WeakPolarHBondContact O-CG1 3.47Å; V202-I206 PolarHBondContact O-N 3.4Å; V202-F452 HydrophobicContact CB-CZ 4.36Å; V202-F452 HydrophobicContact CG1-CE1 4.01Å; V202-F452 HydrophobicContact CG1-CZ 4.02Å
203	A	97	Very high	95	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-45.8	178	0	0	0	0	0	112.6	S199 L200 L201 V205 I206 F207 F225 A447 C451	S199-A203 WeakPolarHBondContact O-CB 3.35Å; S199-A203 PolarHBondContact O-N 3.44Å; L200-A203 PolarHBondContact O-N 3.31Å; L201-A203 PolarHBondContact O-N 3.29Å; A203-V205 PolarHBondContact O-N 3.45Å; A203-I206 WeakPolarHBondContact O-CB 3.45Å; A203-I206 PolarHBondContact O-N 3.49Å; A203-F207 WeakPolarHBondContact O-CD2 3.13Å; A203-F207 PolarHBondContact O-N 2.9Å; A203-F225 HydrophobicContact CB-CD2 4.35Å; A203-F225 HydrophobicContact CB-CE2 4.15Å; A203-A447 HydrophobicContact CB-CB 4.15Å; A203-C451 HydrophobicContact CB-CB 3.71Å
204	A	97.3	Very high	95	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-44.7	177.3	0	0	0	0	0	111.5	L200 L201 I206 F207 L208 L222 I229	L200-A204 VanDerWaalsContact O-CB 3.3Å; L200-A204 WeakPolarHBondContact O-CB 3.44Å; L200-A204 PolarHBondContact O-N 3.38Å; L201-A204 PolarHBondContact O-N 3.07Å; A204-I206 VanDerWaalsContact C-N 3.32Å; A204-I206 PolarHBondContact O-N 3.48Å; A204-F207 PolarHBondContact O-N 3.4Å; A204-L208 WeakPolarHBondContact O-CB 3.45Å; A204-L208 VanDerWaalsContact O-CG 3.25Å; A204-L208 WeakPolarHBondContact O-CG 3.25Å; A204-L208 PolarHBondContact O-N 2.83Å; A204-L222 HydrophobicContact CB-CD1 4.05Å; A204-I229 HydrophobicContact CB-CD1 4.09Å
205	V	96.7	Very high	94.9	Very high	97 Å²	97	65.7 Å²	65.7	59%	0.588	32%	0.318	S	S	*	.	H	α-helix	trans	-60.6	-41	176.2	169.8	0	0	0	0	111.5	L201 V202 A203 R209	L201-V205 WeakPolarHBondContact O-CB 3.3Å; L201-V205 VanDerWaalsContact O-CG2 3.24Å; L201-V205 WeakPolarHBondContact O-CG2 3.32Å; L201-V205 PolarHBondContact O-N 2.94Å; V202-V205 PolarHBondContact O-N 3.45Å; A203-V205 PolarHBondContact O-N 3.45Å; V205-R209 WeakPolarHBondContact O-CB 3.19Å; V205-R209 PolarHBondContact O-N 3.45Å
206	I	95.7	Very high	94.6	Very high	27 Å²	27	64 Å²	64	14%	0.138	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-51.4	175.7	-71	165.5	0	0	0	110.2	V202 A203 A204 L208 R209 F210 L213 F452 V457 I461	V202-I206 HydrophobicContact CG1-CD1 3.9Å; V202-I206 VanDerWaalsContact O-CG1 3.27Å; V202-I206 WeakPolarHBondContact O-CG1 3.47Å; V202-I206 PolarHBondContact O-N 3.4Å; A203-I206 WeakPolarHBondContact O-CB 3.45Å; A203-I206 PolarHBondContact O-N 3.49Å; A204-I206 VanDerWaalsContact C-N 3.32Å; A204-I206 PolarHBondContact O-N 3.48Å; I206-L208 VanDerWaalsContact C-N 3.35Å; I206-L208 PolarHBondContact O-N 3.31Å; I206-R209 PolarHBondContact O-N 3.29Å; I206-F210 HydrophobicContact CG2-CD2 3.91Å; I206-F210 HydrophobicContact CG2-CE2 4.02Å; I206-F210 WeakPolarHBondContact O-CD2 3.34Å; I206-F210 PolarHBondContact O-N 2.88Å; I206-L213 HydrophobicContact CG2-CD1 4.49Å; I206-F452 HydrophobicContact CD1-CE1 4.11Å; I206-V457 HydrophobicContact CG2-CG1 3.71Å; I206-I461 HydrophobicContact CD1-CD1 4.37Å; I206-I461 HydrophobicContact CG2-CD1 4.25Å
207	F	94.8	Very high	94.4	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-42.8	-178.6	-87.9	-119	0	0	0	112.1	A203 A204 H214 N218 H221 L222 F225 Y450 C451 V457	A203-F207 WeakPolarHBondContact O-CD2 3.13Å; A203-F207 PolarHBondContact O-N 2.9Å; A204-F207 PolarHBondContact O-N 3.4Å; F207-H214 PolarHBondContact O-CD2 3.34Å; F207-H214 PolarHBondContact O-NE2 2.93Å; F207-N218 HydrophobicContact CD1-CB 3.97Å; F207-N218 HydrophobicContact CE1-CB 3.74Å; F207-H221 HydrophobicContact CE1-CB 4.47Å; F207-L222 HydrophobicContact CB-CD1 4.28Å; F207-F225 HydrophobicContact CD1-CE2 4.39Å; F207-F225 HydrophobicContact CD2-CE2 4.05Å; F207-F225 HydrophobicContact CE1-CE2 4.39Å; F207-F225 HydrophobicContact CE2-CE2 4.06Å; F207-F225 HydrophobicContact CE2-CZ 4.48Å; F207-F225 HydrophobicContact CG-CE2 4.24Å; F207-F225 HydrophobicContact CZ-CE2 4.23Å; F207-F225 HydrophobicContact CZ-CZ 4.41Å; F207-Y450 WeakPolarHBondContact CZ-O 3.34Å; F207-C451 HydrophobicContact CD2-CB 4.42Å; F207-C451 HydrophobicContact CE2-CB 3.7Å; F207-V457 HydrophobicContact CE2-CG2 4Å; F207-V457 HydrophobicContact CZ-CG2 4.13Å
208	L	95	Very high	94.1	Very high	86 Å²	86	67.5 Å²	67.5	45%	0.45	33%	0.328	S	S	.	.	H	α-helix	trans	-69.1	-32.1	177.9	-70.6	170.9	0	0	0	113.3	A204 I206 L222 F226	A204-L208 WeakPolarHBondContact O-CB 3.45Å; A204-L208 VanDerWaalsContact O-CG 3.25Å; A204-L208 WeakPolarHBondContact O-CG 3.25Å; A204-L208 PolarHBondContact O-N 2.83Å; I206-L208 VanDerWaalsContact C-N 3.35Å; I206-L208 PolarHBondContact O-N 3.31Å; L208-L222 HydrophobicContact CD2-CD1 4.48Å; L208-L222 HydrophobicContact CD2-CD2 3.63Å; L208-L222 HydrophobicContact CG-CD1 4.22Å; L208-L222 HydrophobicContact CG-CD2 4.22Å; L208-F226 HydrophobicContact CD1-CZ 4.2Å
209	R	94.4	Very high	94	Very high	177 Å²	177	64 Å²	64	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-76.4	-36.4	-175.3	-174.8	59.8	179.9	131.7	-7.2	112.4	V205 I206 K211	V205-R209 WeakPolarHBondContact O-CB 3.19Å; V205-R209 PolarHBondContact O-N 3.45Å; I206-R209 PolarHBondContact O-N 3.29Å; R209-K211 PolarHBondContact O-N 2.94Å
210	F	92.6	Very high	93.8	Very high	39 Å²	39	63.5 Å²	63.5	17%	0.171	31%	0.308	C	S	.	.			trans	-95.4	94	-176.6	-65.5	-70.4	0	0	0	110.8	I206 R212 L213 I461 C464	I206-F210 HydrophobicContact CG2-CD2 3.91Å; I206-F210 HydrophobicContact CG2-CE2 4.02Å; I206-F210 WeakPolarHBondContact O-CD2 3.34Å; I206-F210 PolarHBondContact O-N 2.88Å; F210-R212 PolarHBondContact O-N 2.9Å; F210-L213 HydrophobicContact CB-CB 4.37Å; F210-L213 HydrophobicContact CB-CD1 3.71Å; F210-L213 HydrophobicContact CB-CG 3.86Å; F210-L213 HydrophobicContact CD2-CD1 4.11Å; F210-L213 HydrophobicContact CG-CD1 4.26Å; F210-L213 WeakPolarHBondContact O-CB 3.48Å; F210-L213 PolarHBondContact O-N 3.27Å; F210-I461 HydrophobicContact CE2-CG1 3.84Å; F210-I461 HydrophobicContact CZ-CG1 4.1Å; F210-C464 HydrophobicContact CE1-CB 3.67Å; F210-C464 HydrophobicContact CZ-CB 4.17Å
211	K	90.8	Very high	93.6	Very high	179 Å²	179	64.2 Å²	64.2	78%	0.778	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-50.5	-30.7	176	-66.9	-173.3	177	-172.6	0	114	R209 L213 H214	R209-K211 PolarHBondContact O-N 2.94Å; K211-L213 PolarHBondContact O-N 3.49Å; K211-H214 VanDerWaalsContact O-CB 3.31Å; K211-H214 WeakPolarHBondContact O-CB 3.32Å; K211-H214 PolarHBondContact O-N 3.48Å; K211-H214 VanDerWaalsContact O-N 3.1Å
212	R	89.3	Confident	93.5	Very high	191 Å²	191	61.3 Å²	61.3	72%	0.721	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-66.7	-21.8	177.1	-73.9	-177.1	174.5	-174.1	-3.3	113.8	F210 H214 E460	F210-R212 PolarHBondContact O-N 2.9Å; R212-H214 VanDerWaalsContact C-N 3.31Å; R212-E460 VanDerWaalsContact CD-OE2 3.31Å; R212-E460 WeakPolarHBondContact CD-OE2 3.2Å; R212-E460 IonicContact NH1-OE2 3.9Å
213	L	90	Very high	93.5	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-84.2	-5.5	174.5	-61.9	175.8	0	0	0	112	I206 F210 K211 C215 N218 V457 E460	I206-L213 HydrophobicContact CG2-CD1 4.49Å; F210-L213 HydrophobicContact CB-CB 4.37Å; F210-L213 HydrophobicContact CB-CD1 3.71Å; F210-L213 HydrophobicContact CB-CG 3.86Å; F210-L213 HydrophobicContact CD2-CD1 4.11Å; F210-L213 HydrophobicContact CG-CD1 4.26Å; F210-L213 WeakPolarHBondContact O-CB 3.48Å; F210-L213 PolarHBondContact O-N 3.27Å; K211-L213 PolarHBondContact O-N 3.49Å; L213-C215 VanDerWaalsContact C-N 3.35Å; L213-C215 PolarHBondContact O-N 3.48Å; L213-N218 WeakPolarHBondContact O-CB 3.3Å; L213-N218 PolarHBondContact O-ND2 3.48Å; L213-V457 HydrophobicContact CD1-CG1 4.31Å; L213-V457 HydrophobicContact CD1-CG2 4.15Å; L213-V457 HydrophobicContact CD2-CG2 4.21Å; L213-E460 HydrophobicContact CD2-CG 4.09Å
214	H	91.8	Very high	93.4	Very high	107 Å²	107	59.7 Å²	59.7	50%	0.495	28%	0.284	S	S	.	.			trans	-75.4	87.2	179.1	-65.8	-166.4	0	0	0	110.3	F207 K211 R212	F207-H214 PolarHBondContact O-CD2 3.34Å; F207-H214 PolarHBondContact O-NE2 2.93Å; K211-H214 VanDerWaalsContact O-CB 3.31Å; K211-H214 WeakPolarHBondContact O-CB 3.32Å; K211-H214 PolarHBondContact O-N 3.48Å; K211-H214 VanDerWaalsContact O-N 3.1Å; R212-H214 VanDerWaalsContact C-N 3.31Å
215	C	90.5	Very high	93.4	Very high	73 Å²	73	59.5 Å²	59.5	49%	0.493	28%	0.282	S	S	.	.			trans	-120.2	155.8	170.9	177.5	0	0	0	0	108.5	L213 R217 N218 V219	L213-C215 VanDerWaalsContact C-N 3.35Å; L213-C215 PolarHBondContact O-N 3.48Å; C215-R217 PolarHBondContact O-N 3.26Å; C215-R217 VanDerWaalsContact O-N 3.15Å; C215-N218 PolarHBondContact O-N 3.38Å; C215-V219 WeakPolarHBondContact O-CG2 3.49Å; C215-V219 PolarHBondContact O-N 2.87Å
216	A	90.3	Very high	93.4	Very high	44 Å²	44	58.3 Å²	58.3	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-50	-43.6	-179.3	0	0	0	0	0	112.7	N218 V219 V220 L311	A216-N218 PolarHBondContact O-N 2.75Å; A216-V219 PolarHBondContact O-N 2.94Å; A216-V220 PolarHBondContact O-N 3.4Å; A216-V220 VanDerWaalsContact O-N 3.13Å; A216-L311 HydrophobicContact CB-CD2 4.27Å
217	R	90.1	Very high	93.5	Very high	94 Å²	94	57 Å²	57	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-47.2	175.4	-177.3	-174	-61.2	155.7	1.4	112.5	C215 V219 V220 H221 Y297	C215-R217 PolarHBondContact O-N 3.26Å; C215-R217 VanDerWaalsContact O-N 3.15Å; R217-V219 VanDerWaalsContact C-N 3.27Å; R217-V219 PolarHBondContact O-N 3.19Å; R217-V220 WeakPolarHBondContact O-CB 3.44Å; R217-V220 PolarHBondContact O-N 2.91Å; R217-H221 WeakPolarHBondContact CG-NE2 3.25Å; R217-H221 PolarHBondContact O-CD2 2.96Å; R217-H221 VanDerWaalsContact O-CD2 3.27Å; R217-H221 PolarHBondContact O-N 2.71Å; R217-Y297 HydrophobicContact CB-CE1 4.05Å; R217-Y297 HydrophobicContact CG-CE1 4.19Å; R217-Y297 PolarHBondContact N-OH 2.72Å
218	N	92.4	Very high	93.5	Very high	12 Å²	12	57 Å²	57	6%	0.064	26%	0.263	C	S	.	.	H	α-helix	trans	-71.3	-24.6	-178.2	-70.2	-11.3	0	0	0	112.3	F207 L213 C215 A216 L222	F207-N218 HydrophobicContact CD1-CB 3.97Å; F207-N218 HydrophobicContact CE1-CB 3.74Å; L213-N218 WeakPolarHBondContact O-CB 3.3Å; L213-N218 PolarHBondContact O-ND2 3.48Å; C215-N218 PolarHBondContact O-N 3.38Å; A216-N218 PolarHBondContact O-N 2.75Å; N218-L222 VanDerWaalsContact O-CB 3.32Å; N218-L222 WeakPolarHBondContact O-CB 3.46Å; N218-L222 PolarHBondContact O-N 2.85Å
219	V	94	Very high	93.7	Very high	39 Å²	39	54 Å²	54	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-42.9	170.3	174.3	0	0	0	0	110.7	C215 A216 R217 H221 L222 H223 L311 I315	C215-V219 WeakPolarHBondContact O-CG2 3.49Å; C215-V219 PolarHBondContact O-N 2.87Å; A216-V219 PolarHBondContact O-N 2.94Å; R217-V219 VanDerWaalsContact C-N 3.27Å; R217-V219 PolarHBondContact O-N 3.19Å; V219-H221 VanDerWaalsContact C-N 3.34Å; V219-H221 PolarHBondContact O-N 2.71Å; V219-L222 WeakPolarHBondContact O-CB 3.21Å; V219-L222 PolarHBondContact O-N 2.89Å; V219-H223 PolarHBondContact O-CD2 2.64Å; V219-H223 VanDerWaalsContact O-CD2 3.25Å; V219-H223 PolarHBondContact O-N 3Å; V219-L311 HydrophobicContact CB-CD2 3.99Å; V219-L311 HydrophobicContact CG1-CD2 3.81Å; V219-I315 HydrophobicContact CG1-CD1 4.47Å
220	V	94	Very high	93.7	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-47.9	172.8	176.3	0	0	0	0	110.6	A216 R217 L222 H223 L224 W290 E294 Y297 L311	A216-V220 PolarHBondContact O-N 3.4Å; A216-V220 VanDerWaalsContact O-N 3.13Å; R217-V220 WeakPolarHBondContact O-CB 3.44Å; R217-V220 PolarHBondContact O-N 2.91Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.34Å; V220-H223 PolarHBondContact O-N 3.13Å; V220-L224 PolarHBondContact O-N 2.89Å; V220-W290 HydrophobicContact CG1-CZ3 4.47Å; V220-E294 HydrophobicContact CG1-CB 4.17Å; V220-E294 HydrophobicContact CG1-CG 4.38Å; V220-Y297 HydrophobicContact CG2-CD1 4.33Å; V220-Y297 HydrophobicContact CG2-CD2 3.98Å; V220-Y297 HydrophobicContact CG2-CE2 4.19Å; V220-Y297 HydrophobicContact CG2-CG 4.06Å; V220-L311 HydrophobicContact CG2-CD1 3.5Å
221	H	94.1	Very high	93.8	Very high	15 Å²	15	47 Å²	47	7%	0.069	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-40.6	176.1	-63.1	-38.1	0	0	0	112.7	F207 R217 V219 H223 L224 F225 E294 Y450	F207-H221 HydrophobicContact CE1-CB 4.47Å; R217-H221 WeakPolarHBondContact CG-NE2 3.25Å; R217-H221 PolarHBondContact O-CD2 2.96Å; R217-H221 VanDerWaalsContact O-CD2 3.27Å; R217-H221 PolarHBondContact O-N 2.71Å; V219-H221 VanDerWaalsContact C-N 3.34Å; V219-H221 PolarHBondContact O-N 2.71Å; H221-H223 PolarHBondContact O-N 3.28Å; H221-L224 WeakPolarHBondContact O-CB 3.36Å; H221-L224 PolarHBondContact O-N 3.35Å; H221-F225 HydrophobicContact CB-CE1 4.49Å; H221-F225 HydrophobicContact CB-CZ 4.24Å; H221-F225 WeakPolarHBondContact O-CD1 3.28Å; H221-F225 WeakPolarHBondContact O-CG 3.47Å; H221-F225 PolarHBondContact O-N 3.37Å; H221-E294 IonicContact CE1-OE2 3.64Å; H221-E294 IonicContact CG-OE2 3.99Å; H221-E294 IonicContact ND1-OE1 3.94Å; H221-E294 IonicContact ND1-OE2 2.86Å; H221-E294 PolarHBondContact ND1-OE2 3.49Å; H221-Y450 AromaticContact CE1-CD1 3.82Å; H221-Y450 AromaticContact CE1-CE1 3.39Å; H221-Y450 WeakPolarHBondContact CE1-CE1 3.39Å; H221-Y450 AromaticContact CE1-CE2 3.92Å; H221-Y450 AromaticContact CE1-CZ 3.43Å; H221-Y450 VanDerWaalsContact CE1-CZ 3.43Å; H221-Y450 AromaticContact ND1-CD2 3.96Å; H221-Y450 AromaticContact ND1-CE1 3.97Å; H221-Y450 AromaticContact ND1-CE2 3.72Å; H221-Y450 AromaticContact ND1-CZ 3.72Å; H221-Y450 AromaticContact NE2-CD1 3.82Å; H221-Y450 AromaticContact NE2-CE1 3.74Å
222	L	95.9	Very high	93.9	Very high	20 Å²	20	38.6 Å²	38.6	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-41	177.5	178.1	65.1	0	0	0	111.8	A204 F207 L208 N218 V219 V220 F225 F226	A204-L222 HydrophobicContact CB-CD1 4.05Å; F207-L222 HydrophobicContact CB-CD1 4.28Å; L208-L222 HydrophobicContact CD2-CD1 4.48Å; L208-L222 HydrophobicContact CD2-CD2 3.63Å; L208-L222 HydrophobicContact CG-CD1 4.22Å; L208-L222 HydrophobicContact CG-CD2 4.22Å; N218-L222 VanDerWaalsContact O-CB 3.32Å; N218-L222 WeakPolarHBondContact O-CB 3.46Å; N218-L222 PolarHBondContact O-N 2.85Å; V219-L222 WeakPolarHBondContact O-CB 3.21Å; V219-L222 PolarHBondContact O-N 2.89Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.34Å; L222-F225 HydrophobicContact CD1-CD2 4.47Å; L222-F225 WeakPolarHBondContact O-CB 3.17Å; L222-F225 PolarHBondContact O-N 3.32Å; L222-F226 HydrophobicContact CD1-CD2 4.3Å; L222-F226 HydrophobicContact CD1-CE2 3.72Å; L222-F226 HydrophobicContact CD1-CZ 3.95Å; L222-F226 HydrophobicContact CD2-CE2 3.93Å; L222-F226 HydrophobicContact CG-CD2 3.99Å; L222-F226 HydrophobicContact CG-CE2 3.5Å; L222-F226 VanDerWaalsContact CG-CE2 3.5Å; L222-F226 HydrophobicContact CG-CZ 4.21Å; L222-F226 WeakPolarHBondContact O-CD2 3.39Å; L222-F226 PolarHBondContact O-N 3.33Å
223	H	96.7	Very high	94.1	Very high	36 Å²	36	34.2 Å²	34.2	17%	0.167	17%	0.173	C	C	.	.	H	α-helix	trans	-68	-36.8	174.6	-79.5	-76.2	0	0	0	112.9	V219 V220 H221 F225 F226 A227 W290 W319	V219-H223 PolarHBondContact O-CD2 2.64Å; V219-H223 VanDerWaalsContact O-CD2 3.25Å; V219-H223 PolarHBondContact O-N 3Å; V220-H223 PolarHBondContact O-N 3.13Å; H221-H223 PolarHBondContact O-N 3.28Å; H223-F225 VanDerWaalsContact C-N 3.29Å; H223-F225 PolarHBondContact O-N 2.99Å; H223-F226 PolarHBondContact O-N 2.88Å; H223-A227 PolarHBondContact O-N 3.23Å; H223-W290 HydrophobicContact CB-CD2 3.92Å; H223-W290 HydrophobicContact CB-CE3 3.63Å; H223-W290 HydrophobicContact CB-CH2 3.19Å; H223-W290 HydrophobicContact CB-CZ2 3.51Å; H223-W290 HydrophobicContact CB-CZ3 3.26Å; H223-W290 AromaticContact CG-CH2 3.52Å; H223-W290 AromaticContact CG-CZ2 3.78Å; H223-W290 AromaticContact ND1-CZ2 3.94Å; H223-W319 AromaticContact CE1-NE1 3.89Å; H223-W319 AromaticContact ND1-NE1 3.23Å; H223-W319 PolarHBondContact ND1-NE1 2.82Å
224	L	95.6	Very high	94.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-42.8	169.5	-179.4	67.8	0	0	0	111	V220 H221 F226 A227 F228 W290 Q291 E294 V446 Y450	V220-L224 PolarHBondContact O-N 2.89Å; H221-L224 WeakPolarHBondContact O-CB 3.36Å; H221-L224 PolarHBondContact O-N 3.35Å; L224-F226 PolarHBondContact O-N 3.33Å; L224-A227 PolarHBondContact O-N 2.9Å; L224-F228 HydrophobicContact CD1-CD2 3.95Å; L224-F228 HydrophobicContact CD1-CE2 3.46Å; L224-F228 VanDerWaalsContact CD1-CE2 3.46Å; L224-F228 HydrophobicContact CD1-CZ 4.09Å; L224-F228 HydrophobicContact CD2-CE2 3.96Å; L224-F228 HydrophobicContact CG-CD2 3.84Å; L224-F228 HydrophobicContact CG-CE2 3.58Å; L224-F228 WeakPolarHBondContact O-CD2 3.35Å; L224-F228 PolarHBondContact O-N 3.36Å; L224-W290 HydrophobicContact CD1-CB 3.83Å; L224-Q291 HydrophobicContact CD1-CG 4.2Å; L224-E294 VanDerWaalsContact CD2-CD 3.41Å; L224-E294 WeakPolarHBondContact CD2-OE1 3.3Å; L224-E294 WeakPolarHBondContact CD2-OE2 3.06Å; L224-V446 HydrophobicContact CD2-CG1 3.96Å; L224-Y450 HydrophobicContact CD2-CE2 4.37Å
225	F	97.3	Very high	94	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-45.1	175.1	-58.6	-17	0	0	0	111.2	L200 A203 F207 H221 L222 H223 A227 F228 I229 V446 Y450	L200-F225 HydrophobicContact CD2-CB 4.11Å; L200-F225 HydrophobicContact CD2-CD1 3.9Å; L200-F225 HydrophobicContact CD2-CG 4.16Å; A203-F225 HydrophobicContact CB-CD2 4.35Å; A203-F225 HydrophobicContact CB-CE2 4.15Å; F207-F225 HydrophobicContact CD1-CE2 4.39Å; F207-F225 HydrophobicContact CD2-CE2 4.05Å; F207-F225 HydrophobicContact CE1-CE2 4.39Å; F207-F225 HydrophobicContact CE2-CE2 4.06Å; F207-F225 HydrophobicContact CE2-CZ 4.48Å; F207-F225 HydrophobicContact CG-CE2 4.24Å; F207-F225 HydrophobicContact CZ-CE2 4.23Å; F207-F225 HydrophobicContact CZ-CZ 4.41Å; H221-F225 HydrophobicContact CB-CE1 4.49Å; H221-F225 HydrophobicContact CB-CZ 4.24Å; H221-F225 WeakPolarHBondContact O-CD1 3.28Å; H221-F225 WeakPolarHBondContact O-CG 3.47Å; H221-F225 PolarHBondContact O-N 3.37Å; L222-F225 HydrophobicContact CD1-CD2 4.47Å; L222-F225 WeakPolarHBondContact O-CB 3.17Å; L222-F225 PolarHBondContact O-N 3.32Å; H223-F225 VanDerWaalsContact C-N 3.29Å; H223-F225 PolarHBondContact O-N 2.99Å; F225-A227 VanDerWaalsContact C-N 3.34Å; F225-A227 PolarHBondContact O-N 3.22Å; F225-F228 PolarHBondContact O-N 3.32Å; F225-I229 WeakPolarHBondContact O-CB 3.42Å; F225-I229 VanDerWaalsContact O-CG1 3.22Å; F225-I229 WeakPolarHBondContact O-CG1 3.2Å; F225-I229 PolarHBondContact O-N 3.4Å; F225-V446 HydrophobicContact CD1-CG1 3.92Å; F225-V446 HydrophobicContact CE1-CG1 3.68Å; F225-Y450 HydrophobicContact CE1-CD2 4.11Å
226	F	97.3	Very high	93.9	Very high	72 Å²	72	28.2 Å²	28.2	32%	0.316	14%	0.141	S	C	.	.	H	α-helix	trans	-61.1	-40.9	177.2	-73.3	-52.3	0	0	0	112.6	L208 L222 H223 L224 F228 I229 M230 W319	L208-F226 HydrophobicContact CD1-CZ 4.2Å; L222-F226 HydrophobicContact CD1-CD2 4.3Å; L222-F226 HydrophobicContact CD1-CE2 3.72Å; L222-F226 HydrophobicContact CD1-CZ 3.95Å; L222-F226 HydrophobicContact CD2-CE2 3.93Å; L222-F226 HydrophobicContact CG-CD2 3.99Å; L222-F226 HydrophobicContact CG-CE2 3.5Å; L222-F226 VanDerWaalsContact CG-CE2 3.5Å; L222-F226 HydrophobicContact CG-CZ 4.21Å; L222-F226 WeakPolarHBondContact O-CD2 3.39Å; L222-F226 PolarHBondContact O-N 3.33Å; H223-F226 PolarHBondContact O-N 2.88Å; L224-F226 PolarHBondContact O-N 3.33Å; F226-F228 PolarHBondContact O-N 3.5Å; F226-I229 HydrophobicContact CD1-CD1 4.24Å; F226-I229 PolarHBondContact O-N 3.37Å; F226-M230 WeakPolarHBondContact O-CB 3.2Å; F226-M230 WeakPolarHBondContact O-CG 3.31Å; F226-M230 PolarHBondContact O-N 3Å; F226-W319 HydrophobicContact CB-CH2 4.38Å; F226-W319 HydrophobicContact CB-CZ2 4.16Å
227	A	96.9	Very high	93.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-62.1	-42.4	176	0	0	0	0	0	111.9	H223 L224 F225 M230 R231 W290 W319	H223-A227 PolarHBondContact O-N 3.23Å; L224-A227 PolarHBondContact O-N 2.9Å; F225-A227 VanDerWaalsContact C-N 3.34Å; F225-A227 PolarHBondContact O-N 3.22Å; A227-M230 PolarHBondContact O-N 2.97Å; A227-R231 WeakPolarHBondContact O-CB 3.45Å; A227-R231 PolarHBondContact O-N 3.24Å; A227-W290 HydrophobicContact CB-CB 3.82Å; A227-W290 HydrophobicContact CB-CG 3.77Å; A227-W319 HydrophobicContact CB-CH2 4.17Å
228	F	95.7	Very high	93.2	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-71.9	-31.1	175.3	-73.6	-54.2	0	0	0	114	L200 L224 F225 F226 S232 Q291 Q442 V446	L200-F228 HydrophobicContact CD1-CB 3.49Å; L200-F228 VanDerWaalsContact CD1-CB 3.49Å; L200-F228 HydrophobicContact CD2-CB 4.48Å; L224-F228 HydrophobicContact CD1-CD2 3.95Å; L224-F228 HydrophobicContact CD1-CE2 3.46Å; L224-F228 VanDerWaalsContact CD1-CE2 3.46Å; L224-F228 HydrophobicContact CD1-CZ 4.09Å; L224-F228 HydrophobicContact CD2-CE2 3.96Å; L224-F228 HydrophobicContact CG-CD2 3.84Å; L224-F228 HydrophobicContact CG-CE2 3.58Å; L224-F228 WeakPolarHBondContact O-CD2 3.35Å; L224-F228 PolarHBondContact O-N 3.36Å; F225-F228 PolarHBondContact O-N 3.32Å; F226-F228 PolarHBondContact O-N 3.5Å; F228-S232 VanDerWaalsContact O-CB 3.32Å; F228-S232 WeakPolarHBondContact O-CB 3.24Å; F228-S232 PolarHBondContact O-N 3.35Å; F228-S232 PolarHBondContact O-OG 3.03Å; F228-Q291 HydrophobicContact CZ-CG 4.04Å; F228-Q291 VanDerWaalsContact CZ-NE2 3.3Å; F228-Q442 HydrophobicContact CE1-CG 4.42Å; F228-Q442 HydrophobicContact CZ-CG 4.15Å; F228-V446 HydrophobicContact CD2-CG1 4.37Å; F228-V446 HydrophobicContact CE2-CB 4.41Å; F228-V446 HydrophobicContact CE2-CG1 4.23Å; F228-V446 HydrophobicContact CE2-CG2 3.91Å
229	I	97.4	Very high	92.5	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.108	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-49.7	172.3	-73.1	163.2	0	0	0	109.1	L197 L200 L201 A204 F225 F226 R231 S232 F233	L197-I229 HydrophobicContact CD1-CB 4.45Å; L197-I229 HydrophobicContact CD1-CG2 3.89Å; L200-I229 HydrophobicContact CB-CD1 4.1Å; L200-I229 HydrophobicContact CB-CG1 3.59Å; L200-I229 HydrophobicContact CD1-CG1 4.3Å; L201-I229 HydrophobicContact CD2-CD1 4.17Å; L201-I229 HydrophobicContact CD2-CG2 4.21Å; A204-I229 HydrophobicContact CB-CD1 4.09Å; F225-I229 WeakPolarHBondContact O-CB 3.42Å; F225-I229 VanDerWaalsContact O-CG1 3.22Å; F225-I229 WeakPolarHBondContact O-CG1 3.2Å; F225-I229 PolarHBondContact O-N 3.4Å; F226-I229 HydrophobicContact CD1-CD1 4.24Å; F226-I229 PolarHBondContact O-N 3.37Å; I229-R231 VanDerWaalsContact C-N 3.34Å; I229-R231 PolarHBondContact O-N 3.4Å; I229-S232 PolarHBondContact O-N 3.12Å; I229-F233 WeakPolarHBondContact O-CB 3.28Å; I229-F233 PolarHBondContact O-N 3.41Å
230	M	95.7	Very high	91.9	Very high	69 Å²	69	31.7 Å²	31.7	34%	0.34	16%	0.157	S	C	.	.	H	α-helix	trans	-58.1	-47.4	176.9	-73.9	-64.1	-67.9	0	0	110.9	F226 A227 M234	F226-M230 WeakPolarHBondContact O-CB 3.2Å; F226-M230 WeakPolarHBondContact O-CG 3.31Å; F226-M230 PolarHBondContact O-N 3Å; A227-M230 PolarHBondContact O-N 2.97Å; M230-M234 HydrophobicContact CE-CE 4.25Å; M230-M234 WeakPolarHBondContact O-CB 3.27Å; M230-M234 WeakPolarHBondContact O-CG 3.5Å; M230-M234 PolarHBondContact O-N 3.46Å
231	R	94	Very high	91.1	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-54.6	175	176.8	176	175.5	147.6	3.6	111.7	A227 I229 F233 M234 C235 S287 S439 N573	A227-R231 WeakPolarHBondContact O-CB 3.45Å; A227-R231 PolarHBondContact O-N 3.24Å; I229-R231 VanDerWaalsContact C-N 3.34Å; I229-R231 PolarHBondContact O-N 3.4Å; R231-F233 VanDerWaalsContact C-N 3.34Å; R231-F233 PolarHBondContact O-N 2.92Å; R231-M234 PolarHBondContact O-N 3Å; R231-C235 PolarHBondContact O-N 3.41Å; R231-C235 PolarHBondContact O-SG 2.87Å; R231-S287 WeakPolarHBondContact CD-OG 3.29Å; R231-S287 PolarHBondContact NH1-OG 2.82Å; R231-S439 PolarHBondContact NH2-OG 3.09Å; R231-N573 PolarHBondContact NH2-O 2.95Å
232	S	92.9	Very high	89.9	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-175.9	-53.4	0	0	0	0	111.8	F228 I229 C235 V236	F228-S232 VanDerWaalsContact O-CB 3.32Å; F228-S232 WeakPolarHBondContact O-CB 3.24Å; F228-S232 PolarHBondContact O-N 3.35Å; F228-S232 PolarHBondContact O-OG 3.03Å; I229-S232 PolarHBondContact O-N 3.12Å; S232-C235 WeakPolarHBondContact O-CB 3.39Å; S232-C235 PolarHBondContact O-N 3.35Å; S232-V236 WeakPolarHBondContact O-CG2 3.5Å; S232-V236 PolarHBondContact O-N 2.88Å; S232-V236 VanDerWaalsContact O-N 3.08Å
233	F	94.6	Very high	87.9	Confident	98 Å²	98	41.6 Å²	41.6	43%	0.43	20%	0.196	S	C	.	.	H	α-helix	trans	-62.4	-47	175.9	175.8	-111	0	0	0	111.5	L197 I229 R231 C235 V236 L237	L197-F233 HydrophobicContact CD1-CB 4.31Å; I229-F233 WeakPolarHBondContact O-CB 3.28Å; I229-F233 PolarHBondContact O-N 3.41Å; R231-F233 VanDerWaalsContact C-N 3.34Å; R231-F233 PolarHBondContact O-N 2.92Å; F233-C235 VanDerWaalsContact C-N 3.31Å; F233-C235 PolarHBondContact O-N 3.47Å; F233-V236 PolarHBondContact O-N 3.3Å; F233-L237 HydrophobicContact CE1-CD2 4.45Å; F233-L237 VanDerWaalsContact O-CB 3.32Å; F233-L237 WeakPolarHBondContact O-CB 3.01Å; F233-L237 PolarHBondContact O-N 3.48Å
234	M	91.4	Very high	85.8	Confident	22 Å²	22	45.3 Å²	45.3	11%	0.108	22%	0.217	C	C	.	.	H	α-helix	trans	-67.1	-32	178.1	-64.3	-73	154	0	0	111.9	M230 R231 L237 Q238 T279 W280	M230-M234 HydrophobicContact CE-CE 4.25Å; M230-M234 WeakPolarHBondContact O-CB 3.27Å; M230-M234 WeakPolarHBondContact O-CG 3.5Å; M230-M234 PolarHBondContact O-N 3.46Å; R231-M234 PolarHBondContact O-N 3Å; M234-L237 PolarHBondContact O-N 3.29Å; M234-L237 HydrophobicContact SD-CD2 4.17Å; M234-Q238 VanDerWaalsContact O-CB 3.27Å; M234-Q238 WeakPolarHBondContact O-CB 3.38Å; M234-Q238 PolarHBondContact O-N 3.29Å; M234-T279 HydrophobicContact CE-CG2 3.68Å; M234-T279 HydrophobicContact CG-CG2 4.45Å; M234-T279 HydrophobicContact SD-CG2 3.69Å; M234-W280 VanDerWaalsContact C-CE3 3.47Å; M234-W280 HydrophobicContact CB-CE3 3.59Å; M234-W280 HydrophobicContact CB-CZ3 4.14Å
235	C	87.2	Confident	83.8	Confident	10 Å²	10	46 Å²	46	7%	0.068	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-50.1	174.2	-63.3	0	0	0	0	110.1	Y193 R231 S232 F233 L237 Q238 Y239 W280 N573	Y193-C235 HydrophobicContact CD1-CB 4.24Å; Y193-C235 HydrophobicContact CD2-CB 3.97Å; Y193-C235 WeakPolarHBondContact CE1-SG 3.42Å; Y193-C235 HydrophobicContact CE2-CB 4.34Å; Y193-C235 HydrophobicContact CG-CB 3.94Å; Y193-C235 VanDerWaalsContact CZ-SG 3.54Å; R231-C235 PolarHBondContact O-N 3.41Å; R231-C235 PolarHBondContact O-SG 2.87Å; S232-C235 WeakPolarHBondContact O-CB 3.39Å; S232-C235 PolarHBondContact O-N 3.35Å; F233-C235 VanDerWaalsContact C-N 3.31Å; F233-C235 PolarHBondContact O-N 3.47Å; C235-L237 VanDerWaalsContact C-N 3.34Å; C235-Q238 PolarHBondContact O-N 3.5Å; C235-Y239 WeakPolarHBondContact O-CB 3.44Å; C235-Y239 PolarHBondContact O-N 3.01Å; C235-W280 HydrophobicContact CB-CH2 4.09Å; C235-W280 HydrophobicContact CB-CZ3 3.77Å; C235-W280 WeakPolarHBondContact SG-CH2 3.35Å; C235-W280 WeakPolarHBondContact SG-CZ3 3.44Å; C235-N573 PolarHBondContact SG-ND2 3.49Å
236	V	89.2	Confident	81.7	Confident	30 Å²	30	47.3 Å²	47.3	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-40.1	-177.6	172.3	0	0	0	0	110.1	S232 F233 Y239 S240	S232-V236 WeakPolarHBondContact O-CG2 3.5Å; S232-V236 PolarHBondContact O-N 2.88Å; S232-V236 VanDerWaalsContact O-N 3.08Å; F233-V236 PolarHBondContact O-N 3.3Å; V236-Y239 PolarHBondContact O-N 3.31Å; V236-S240 WeakPolarHBondContact O-CB 3.38Å; V236-S240 PolarHBondContact O-N 3.15Å; V236-S240 PolarHBondContact O-OG 3.41Å
237	L	85.7	Confident	79.7	Confident	51 Å²	51	45 Å²	45	27%	0.267	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-46.2	175.8	-173.1	65.8	0	0	0	111.1	F233 M234 C235 S240 L241	F233-L237 HydrophobicContact CE1-CD2 4.45Å; F233-L237 VanDerWaalsContact O-CB 3.32Å; F233-L237 WeakPolarHBondContact O-CB 3.01Å; F233-L237 PolarHBondContact O-N 3.48Å; M234-L237 PolarHBondContact O-N 3.29Å; M234-L237 HydrophobicContact SD-CD2 4.17Å; C235-L237 VanDerWaalsContact C-N 3.34Å; L237-S240 PolarHBondContact O-N 3.23Å; L237-L241 HydrophobicContact CD1-CD1 3.63Å; L237-L241 HydrophobicContact CD1-CG 3.95Å; L237-L241 HydrophobicContact CD2-CD1 4.38Å; L237-L241 HydrophobicContact CG-CD1 3.72Å; L237-L241 HydrophobicContact CG-CG 4.27Å; L237-L241 WeakPolarHBondContact O-CB 3.21Å; L237-L241 WeakPolarHBondContact O-CG 3.35Å; L237-L241 PolarHBondContact O-N 2.91Å
238	Q	79.8	Confident	78	Confident	7 Å²	7	45.1 Å²	45.1	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-45.3	176.2	-172.2	-176.6	7.3	0	0	111.2	M234 C235 S240 L241 F242 T570	M234-Q238 VanDerWaalsContact O-CB 3.27Å; M234-Q238 WeakPolarHBondContact O-CB 3.38Å; M234-Q238 PolarHBondContact O-N 3.29Å; C235-Q238 PolarHBondContact O-N 3.5Å; Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 2.9Å; Q238-L241 PolarHBondContact O-N 2.76Å; Q238-F242 HydrophobicContact CB-CD2 4.29Å; Q238-F242 HydrophobicContact CG-CD2 3.58Å; Q238-F242 HydrophobicContact CG-CE2 3.83Å; Q238-F242 HydrophobicContact CG-CG 4.44Å; Q238-F242 WeakPolarHBondContact O-CB 3.39Å; Q238-F242 VanDerWaalsContact O-CD2 3.24Å; Q238-F242 WeakPolarHBondContact O-CD2 3.46Å; Q238-F242 PolarHBondContact O-N 2.86Å; Q238-T570 HydrophobicContact CG-CG2 3.93Å
239	Y	77.9	Confident	76.3	Confident	121 Å²	121	49.3 Å²	49.3	48%	0.475	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-37.8	175.7	-179.4	-100.1	0	0	0	112.8	V190 C235 V236	V190-Y239 HydrophobicContact CB-CD1 4.45Å; V190-Y239 HydrophobicContact CG1-CD1 3.85Å; V190-Y239 HydrophobicContact CG1-CE1 4.07Å; V190-Y239 HydrophobicContact CG1-CG 4.31Å; V190-Y239 HydrophobicContact CG2-CD1 3.78Å; V190-Y239 HydrophobicContact CG2-CD2 3.45Å; V190-Y239 VanDerWaalsContact CG2-CD2 3.45Å; V190-Y239 HydrophobicContact CG2-CE1 4.07Å; V190-Y239 HydrophobicContact CG2-CE2 3.78Å; V190-Y239 HydrophobicContact CG2-CG 3.44Å; V190-Y239 VanDerWaalsContact CG2-CG 3.44Å; C235-Y239 WeakPolarHBondContact O-CB 3.44Å; C235-Y239 PolarHBondContact O-N 3.01Å; V236-Y239 PolarHBondContact O-N 3.31Å
240	S	81.2	Confident	74.8	Confident	83 Å²	83	53 Å²	53	58%	0.58	27%	0.267	S	S	*	.	H	α-helix	trans	-77	-34.8	-177.3	-54.6	0	0	0	0	113	V236 L237 Q238	V236-S240 WeakPolarHBondContact O-CB 3.38Å; V236-S240 PolarHBondContact O-N 3.15Å; V236-S240 PolarHBondContact O-OG 3.41Å; L237-S240 PolarHBondContact O-N 3.23Å; Q238-S240 VanDerWaalsContact C-N 3.28Å; Q238-S240 PolarHBondContact O-N 2.9Å
241	L	77.7	Confident	73.1	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-89.3	-33.5	-174.6	-68	-178.2	0	0	0	113.5	L237 Q238 R243 T248 S249 I276	L237-L241 HydrophobicContact CD1-CD1 3.63Å; L237-L241 HydrophobicContact CD1-CG 3.95Å; L237-L241 HydrophobicContact CD2-CD1 4.38Å; L237-L241 HydrophobicContact CG-CD1 3.72Å; L237-L241 HydrophobicContact CG-CG 4.27Å; L237-L241 WeakPolarHBondContact O-CB 3.21Å; L237-L241 WeakPolarHBondContact O-CG 3.35Å; L237-L241 PolarHBondContact O-N 2.91Å; Q238-L241 PolarHBondContact O-N 2.76Å; L241-R243 PolarHBondContact O-N 3.1Å; L241-T248 CarbonylContact O-C 3.54Å; L241-T248 VanDerWaalsContact O-CA 3.26Å; L241-T248 WeakPolarHBondContact O-CA 3.45Å; L241-S249 PolarHBondContact O-N 2.93Å; L241-I276 HydrophobicContact CD1-CD1 3.6Å
242	F	67.3	Low	71.4	Confident	16 Å²	16	51.3 Å²	51.3	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	106.1	-176.4	-75.2	-91.8	0	0	0	111.6	Q238 T247 T248 C273 I276 I277 C341 I343	Q238-F242 HydrophobicContact CB-CD2 4.29Å; Q238-F242 HydrophobicContact CG-CD2 3.58Å; Q238-F242 HydrophobicContact CG-CE2 3.83Å; Q238-F242 HydrophobicContact CG-CG 4.44Å; Q238-F242 WeakPolarHBondContact O-CB 3.39Å; Q238-F242 VanDerWaalsContact O-CD2 3.24Å; Q238-F242 WeakPolarHBondContact O-CD2 3.46Å; Q238-F242 PolarHBondContact O-N 2.86Å; F242-T247 CarbonylContact C-O 3.37Å; F242-T247 WeakPolarHBondContact CA-O 3.43Å; F242-T248 HydrophobicContact CD1-CG2 4.31Å; F242-T248 HydrophobicContact CE1-CG2 3.87Å; F242-T248 HydrophobicContact CE2-CG2 4.27Å; F242-T248 HydrophobicContact CZ-CG2 3.85Å; F242-C273 VanDerWaalsContact CE1-SG 3.57Å; F242-C273 WeakPolarHBondContact CZ-SG 3.48Å; F242-I276 HydrophobicContact CE2-CG2 4.08Å; F242-I277 HydrophobicContact CE1-CD1 4.1Å; F242-I277 HydrophobicContact CE1-CG1 4.38Å; F242-I277 HydrophobicContact CE2-CD1 3.76Å; F242-I277 HydrophobicContact CE2-CG1 4.37Å; F242-I277 HydrophobicContact CZ-CD1 3.36Å; F242-I277 HydrophobicContact CZ-CG1 3.63Å; F242-C341 HydrophobicContact CE1-CB 4.32Å; F242-I343 HydrophobicContact CD1-CD1 3.83Å; F242-I343 HydrophobicContact CE1-CD1 3.5Å; F242-I343 HydrophobicContact CE1-CG1 4.36Å; F242-I343 HydrophobicContact CZ-CD1 4.5Å
243	R	54.6	Low	69.8	Low	187 Å²	187	58.5 Å²	58.5	71%	0.706	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	131.3	170.4	-162.3	173.6	-174.9	163.5	-0.7	108.8	L241 G245 K246 T247	L241-R243 PolarHBondContact O-N 3.1Å; R243-G245 PolarHBondContact O-N 2.86Å; R243-K246 PolarHBondContact O-N 2.84Å; R243-T247 PolarHBondContact N-O 3.02Å; R243-T247 PolarHBondContact O-N 3.06Å
244	N	51.6	Low	68.2	Low	115 Å²	115	56 Å²	56	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	14.7	-178	-57.2	-25.7	0	0	0	115.4	K246	N244-K246 VanDerWaalsContact C-N 3.26Å; N244-K246 PolarHBondContact O-N 3.46Å
245	G	54.4	Low	66.5	Low	13 Å²	13	59.6 Å²	59.6	13%	0.134	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	10.6	-179.8	0	0	0	0	0	115.6	R243 T566	R243-G245 PolarHBondContact O-N 2.86Å; G245-T566 WeakPolarHBondContact O-CG2 3.35Å
246	K	52.5	Low	64.8	Low	29 Å²	29	64.8 Å²	64.8	13%	0.126	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-45.2	-176.7	-68.3	-173.5	-179.6	178.2	0	114.1	R243 N244 L254 E262 I343 T563 T566	R243-K246 PolarHBondContact O-N 2.84Å; N244-K246 VanDerWaalsContact C-N 3.26Å; N244-K246 PolarHBondContact O-N 3.46Å; K246-L254 HydrophobicContact CB-CD2 4.46Å; K246-L254 HydrophobicContact CD-CD2 4.48Å; K246-E262 IonicContact NZ-OE1 3.94Å; K246-E262 PolarHBondContact NZ-OE1 3.03Å; K246-E262 IonicContact NZ-OE2 3.93Å; K246-I343 VanDerWaalsContact O-CD1 3.3Å; K246-I343 WeakPolarHBondContact O-CD1 3.28Å; K246-T563 VanDerWaalsContact NZ-CG2 3.26Å; K246-T566 HydrophobicContact CG-CG2 4.24Å
247	T	55.8	Low	63.1	Low	23 Å²	23	65.7 Å²	65.7	14%	0.141	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.6	-176.3	-168.7	0	0	0	0	110.8	F242 R243 G252 L254	F242-T247 CarbonylContact C-O 3.37Å; F242-T247 WeakPolarHBondContact CA-O 3.43Å; R243-T247 PolarHBondContact N-O 3.02Å; R243-T247 PolarHBondContact O-N 3.06Å; T247-G252 PolarHBondContact OG1-O 3.45Å; T247-L254 HydrophobicContact CG2-CD1 4.24Å
248	T	61.9	Low	61.4	Low	4 Å²	4	72.7 Å²	72.7	3%	0.025	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	165.5	169.6	67.4	0	0	0	0	110.2	L241 F242 F250 D251 C273	L241-T248 CarbonylContact O-C 3.54Å; L241-T248 VanDerWaalsContact O-CA 3.26Å; L241-T248 WeakPolarHBondContact O-CA 3.45Å; F242-T248 HydrophobicContact CD1-CG2 4.31Å; F242-T248 HydrophobicContact CE1-CG2 3.87Å; F242-T248 HydrophobicContact CE2-CG2 4.27Å; F242-T248 HydrophobicContact CZ-CG2 3.85Å; T248-F250 HydrophobicContact CG2-CD1 4.48Å; T248-F250 HydrophobicContact CG2-CE1 3.73Å; T248-F250 HydrophobicContact CG2-CE2 4.44Å; T248-F250 HydrophobicContact CG2-CZ 3.7Å; T248-F250 PolarHBondContact O-N 3.44Å; T248-F250 VanDerWaalsContact O-N 3.09Å; T248-F250 VanDerWaalsContact OG1-CD1 3.27Å; T248-F250 WeakPolarHBondContact OG1-CD1 3.48Å; T248-F250 WeakPolarHBondContact OG1-CD2 3.44Å; T248-F250 VanDerWaalsContact OG1-CE1 3.24Å; T248-F250 WeakPolarHBondContact OG1-CE1 3.41Å; T248-F250 VanDerWaalsContact OG1-CE2 3.32Å; T248-F250 WeakPolarHBondContact OG1-CE2 3.31Å; T248-F250 WeakPolarHBondContact OG1-CG 3.35Å; T248-F250 VanDerWaalsContact OG1-CZ 3.26Å; T248-F250 WeakPolarHBondContact OG1-CZ 3.41Å; T248-F250 PolarHBondContact OG1-N 3.01Å; T248-D251 WeakPolarHBondContact CG2-OD2 3.38Å; T248-D251 WeakPolarHBondContact OG1-CB 3.46Å; T248-D251 PolarHBondContact OG1-N 3.31Å; T248-D251 PolarHBondContact OG1-OD2 2.95Å; T248-C273 HydrophobicContact CG2-CB 3.78Å; T248-C273 WeakPolarHBondContact CG2-SG 3.32Å
249	S	59.6	Low	59.8	Low	92 Å²	92	78 Å²	78	64%	0.643	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.1	172.9	54.2	0	0	0	0	114.3	L241	L241-S249 PolarHBondContact O-N 2.93Å
250	F	66.2	Low	58.5	Low	98 Å²	98	74 Å²	74	43%	0.43	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-10.5	-173.9	59.3	-96.5	0	0	0	114.5	T248 G252 C273 I276	T248-F250 HydrophobicContact CG2-CD1 4.48Å; T248-F250 HydrophobicContact CG2-CE1 3.73Å; T248-F250 HydrophobicContact CG2-CE2 4.44Å; T248-F250 HydrophobicContact CG2-CZ 3.7Å; T248-F250 PolarHBondContact O-N 3.44Å; T248-F250 VanDerWaalsContact O-N 3.09Å; T248-F250 VanDerWaalsContact OG1-CD1 3.27Å; T248-F250 WeakPolarHBondContact OG1-CD1 3.48Å; T248-F250 WeakPolarHBondContact OG1-CD2 3.44Å; T248-F250 VanDerWaalsContact OG1-CE1 3.24Å; T248-F250 WeakPolarHBondContact OG1-CE1 3.41Å; T248-F250 VanDerWaalsContact OG1-CE2 3.32Å; T248-F250 WeakPolarHBondContact OG1-CE2 3.31Å; T248-F250 WeakPolarHBondContact OG1-CG 3.35Å; T248-F250 VanDerWaalsContact OG1-CZ 3.26Å; T248-F250 WeakPolarHBondContact OG1-CZ 3.41Å; T248-F250 PolarHBondContact OG1-N 3.01Å; F250-G252 VanDerWaalsContact C-N 3.3Å; F250-G252 PolarHBondContact O-N 3.33Å; F250-C273 HydrophobicContact CE2-CB 4.28Å; F250-C273 HydrophobicContact CZ-CB 4.11Å; F250-I276 HydrophobicContact CE1-CD1 4.06Å; F250-I276 HydrophobicContact CZ-CD1 3.99Å
251	D	60.4	Low	57.1	Low	2 Å²	2	76.2 Å²	76.2	1%	0.011	39%	0.392	C	S	.	.	S	Bend	trans	-88.3	19	-173.8	-68.1	-36.6	0	0	0	115.1	T248 F264 H270 C273 C341	T248-D251 WeakPolarHBondContact CG2-OD2 3.38Å; T248-D251 WeakPolarHBondContact OG1-CB 3.46Å; T248-D251 PolarHBondContact OG1-N 3.31Å; T248-D251 PolarHBondContact OG1-OD2 2.95Å; D251-F264 HydrophobicContact CB-CD1 4.06Å; D251-F264 HydrophobicContact CB-CE1 3.54Å; D251-F264 HydrophobicContact CB-CZ 4.08Å; D251-F264 VanDerWaalsContact O-CD1 3.28Å; D251-F264 WeakPolarHBondContact O-CD1 3.35Å; D251-H270 WeakPolarHBondContact CB-ND1 3.3Å; D251-H270 PolarHBondContact O-CE1 3.48Å; D251-H270 VanDerWaalsContact OD1-CB 3.27Å; D251-H270 WeakPolarHBondContact OD1-CB 3.41Å; D251-H270 IonicContact OD1-CE1 3.8Å; D251-H270 IonicContact OD1-CG 3.24Å; D251-H270 VanDerWaalsContact OD1-CG 3.24Å; D251-H270 IonicContact OD1-ND1 2.71Å; D251-H270 PolarHBondContact OD1-ND1 3.44Å; D251-C273 WeakPolarHBondContact OD2-CB 3.38Å; D251-C341 PolarHBondContact OD2-SG 3.15Å
252	G	57.9	Low	56.2	Low	34 Å²	34	75.8 Å²	75.8	35%	0.351	39%	0.389	S	S	.	.			trans	64.3	-174	179.8	0	0	0	0	0	113.6	T247 F250	T247-G252 PolarHBondContact OG1-O 3.45Å; F250-G252 VanDerWaalsContact C-N 3.3Å; F250-G252 PolarHBondContact O-N 3.33Å
253	E	59.8	Low	55.8	Low	153 Å²	153	79.9 Å²	79.9	72%	0.715	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-80.7	147.5	-180	-65.6	-170.2	162.5	0	0	111.8	A265	E253-A265 WeakPolarHBondContact O-CB 3.33Å; E253-A265 PolarHBondContact O-N 3.13Å
254	L	60	Low	56.1	Low	45 Å²	45	72.1 Å²	72.1	24%	0.236	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.1	171.5	-92.3	72.7	0	0	0	109	K246 T247 E262 F264 L340	K246-L254 HydrophobicContact CB-CD2 4.46Å; K246-L254 HydrophobicContact CD-CD2 4.48Å; T247-L254 HydrophobicContact CG2-CD1 4.24Å; L254-E262 HydrophobicContact CD2-CB 3.89Å; L254-E262 HydrophobicContact CD2-CG 4.08Å; L254-F264 HydrophobicContact CD1-CD1 4.23Å; L254-F264 HydrophobicContact CD1-CE1 4.12Å; L254-L340 HydrophobicContact CD2-CD2 4.1Å; L254-L340 HydrophobicContact CG-CD2 4.24Å
255	L	55.2	Low	56.3	Low	98 Å²	98	68.8 Å²	68.8	51%	0.513	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144	167.6	-63.7	178.2	0	0	0	110	Q263 A265	L255-Q263 PolarHBondContact N-O 2.67Å; L255-Q263 PolarHBondContact O-N 2.94Å; L255-A265 HydrophobicContact CD1-CB 3.78Å; L255-A265 HydrophobicContact CG-CB 3.89Å
256	L	53.1	Low	56.5	Low	119 Å²	119	73.5 Å²	73.5	62%	0.623	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.5	167.2	-73.3	111.5	0	0	0	108.8
257	D	52.8	Low	56.8	Low	49 Å²	49	75.7 Å²	75.7	26%	0.262	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-57	159.8	167.5	-175.6	19.6	0	0	0	110.6	N259 G260 R261 Q263	D257-N259 PolarHBondContact O-N 3.35Å; D257-G260 WeakPolarHBondContact O-CA 3.32Å; D257-G260 PolarHBondContact O-N 3.34Å; D257-R261 HydrophobicContact CB-CB 4.2Å; D257-R261 WeakPolarHBondContact CB-O 3.34Å; D257-R261 PolarHBondContact N-O 3.18Å; D257-R261 IonicContact OD2-CZ 3.68Å; D257-R261 IonicContact OD2-NE 2.96Å; D257-R261 PolarHBondContact OD2-NE 2.95Å; D257-R261 IonicContact OD2-NH2 3Å; D257-R261 PolarHBondContact OD2-NH2 3.44Å; D257-Q263 HydrophobicContact CB-CG 4.4Å; D257-Q263 PolarHBondContact OD2-NE2 3.29Å
258	E	49.1	Very low	57.2	Low	198 Å²	198	77.2 Å²	77.2	93%	0.925	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28	179.9	-147.3	179.8	177.7	0	0	112.1	G260	E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.28Å
259	N	47.3	Very low	57.2	Low	119 Å²	119	82.3 Å²	82.3	64%	0.636	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	8.4	174.5	-68.9	-31.7	0	0	0	114.6	D257 R261	D257-N259 PolarHBondContact O-N 3.35Å; N259-R261 VanDerWaalsContact C-N 3.29Å; N259-R261 HydrophobicContact CB-CG 4.34Å; N259-R261 PolarHBondContact ND2-NH2 2.81Å; N259-R261 VanDerWaalsContact ND2-NH2 3.16Å; N259-R261 PolarHBondContact O-N 3.49Å
260	G	51	Low	57.9	Low	36 Å²	36	78.9 Å²	78.9	37%	0.371	44%	0.441	S	S	.	.	S	Bend	trans	70.7	20.2	-175.7	0	0	0	0	0	114.4	D257 E258	D257-G260 WeakPolarHBondContact O-CA 3.32Å; D257-G260 PolarHBondContact O-N 3.34Å; E258-G260 VanDerWaalsContact C-N 3.3Å; E258-G260 PolarHBondContact O-N 3.28Å
261	R	50.9	Low	58.7	Low	130 Å²	130	83.1 Å²	83.1	49%	0.491	45%	0.454	S	S	.	.			trans	-97.4	135.5	-179.2	-65	-178.9	-62.9	-176.7	1.7	110.7	D257 N259 Q263	D257-R261 HydrophobicContact CB-CB 4.2Å; D257-R261 WeakPolarHBondContact CB-O 3.34Å; D257-R261 PolarHBondContact N-O 3.18Å; D257-R261 IonicContact OD2-CZ 3.68Å; D257-R261 IonicContact OD2-NE 2.96Å; D257-R261 PolarHBondContact OD2-NE 2.95Å; D257-R261 IonicContact OD2-NH2 3Å; D257-R261 PolarHBondContact OD2-NH2 3.44Å; N259-R261 VanDerWaalsContact C-N 3.29Å; N259-R261 HydrophobicContact CB-CG 4.34Å; N259-R261 PolarHBondContact ND2-NH2 2.81Å; N259-R261 VanDerWaalsContact ND2-NH2 3.16Å; N259-R261 PolarHBondContact O-N 3.49Å; R261-Q263 PolarHBondContact O-N 3.04Å
262	E	58.3	Low	59.8	Low	32 Å²	32	83.7 Å²	83.7	15%	0.15	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	119.4	178.8	-68.1	176.9	159.5	0	0	110.7	K246 L254 L340 Q344	K246-E262 IonicContact NZ-OE1 3.94Å; K246-E262 PolarHBondContact NZ-OE1 3.03Å; K246-E262 IonicContact NZ-OE2 3.93Å; L254-E262 HydrophobicContact CD2-CB 3.89Å; L254-E262 HydrophobicContact CD2-CG 4.08Å; E262-L340 HydrophobicContact CB-CD1 4.08Å; E262-L340 HydrophobicContact CB-CD2 4.42Å; E262-Q344 PolarHBondContact OE2-NE2 2.86Å
263	Q	59.4	Low	61	Low	102 Å²	102	82.1 Å²	82.1	48%	0.477	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.6	171.9	-62.6	-169.1	22.6	0	0	110	L255 D257 R261	L255-Q263 PolarHBondContact N-O 2.67Å; L255-Q263 PolarHBondContact O-N 2.94Å; D257-Q263 HydrophobicContact CB-CG 4.4Å; D257-Q263 PolarHBondContact OD2-NE2 3.29Å; R261-Q263 PolarHBondContact O-N 3.04Å
264	F	61.2	Low	62.2	Low	24 Å²	24	76 Å²	76	11%	0.105	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.1	171.7	-67.5	-67.6	0	0	0	109.7	D251 L254 D266 G267 H270 L340	D251-F264 HydrophobicContact CB-CD1 4.06Å; D251-F264 HydrophobicContact CB-CE1 3.54Å; D251-F264 HydrophobicContact CB-CZ 4.08Å; D251-F264 VanDerWaalsContact O-CD1 3.28Å; D251-F264 WeakPolarHBondContact O-CD1 3.35Å; L254-F264 HydrophobicContact CD1-CD1 4.23Å; L254-F264 HydrophobicContact CD1-CE1 4.12Å; F264-D266 PolarHBondContact O-N 3.41Å; F264-G267 PolarHBondContact O-N 2.96Å; F264-H270 WeakPolarHBondContact CB-NE2 3.45Å; F264-H270 AromaticContact CD1-NE2 3.97Å; F264-H270 AromaticContact CD2-CD2 3.21Å; F264-H270 WeakPolarHBondContact CD2-CD2 3.27Å; F264-H270 AromaticContact CD2-NE2 3.86Å; F264-H270 HydrophobicContact CE2-CB 4.06Å; F264-H270 AromaticContact CE2-CD2 3.63Å; F264-H270 AromaticContact CG-CD2 3.4Å; F264-H270 WeakPolarHBondContact CG-CD2 3.25Å; F264-H270 AromaticContact CG-NE2 3.51Å; F264-H270 HydrophobicContact CZ-CB 4.42Å; F264-L340 HydrophobicContact CD2-CD2 4.36Å; F264-L340 HydrophobicContact CE1-CD2 4.28Å; F264-L340 HydrophobicContact CE2-CB 4.34Å; F264-L340 HydrophobicContact CE2-CD2 4.13Å; F264-L340 HydrophobicContact CZ-CB 4.49Å; F264-L340 HydrophobicContact CZ-CD2 4.07Å
265	A	55.5	Low	63.6	Low	45 Å²	45	78.6 Å²	78.6	37%	0.372	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.1	-179.9	0	0	0	0	0	113.1	E253 L255 G267	E253-A265 WeakPolarHBondContact O-CB 3.33Å; E253-A265 PolarHBondContact O-N 3.13Å; L255-A265 HydrophobicContact CD1-CB 3.78Å; L255-A265 HydrophobicContact CG-CB 3.89Å; A265-G267 PolarHBondContact O-N 3.16Å
266	D	58.3	Low	65.1	Low	112 Å²	112	75.2 Å²	75.2	60%	0.599	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.3	-168.5	-60.8	-26.1	0	0	0	114.1	F264 A268	F264-D266 PolarHBondContact O-N 3.41Å; D266-A268 HydrophobicContact CB-CB 4.35Å; D266-A268 PolarHBondContact O-N 3.24Å
267	G	58.8	Low	66.7	Low	74 Å²	74	69.9 Å²	69.9	76%	0.763	38%	0.383	S	S	*	.			trans	58.9	1.6	-175.7	0	0	0	0	0	115.2	F264 A265	F264-G267 PolarHBondContact O-N 2.96Å; A265-G267 PolarHBondContact O-N 3.16Å
268	A	64.4	Low	68.5	Low	56 Å²	56	68.2 Å²	68.2	46%	0.463	38%	0.376	S	S	.	.			trans	-76.7	152.5	-173.9	0	0	0	0	0	111.8	D266 H270	D266-A268 HydrophobicContact CB-CB 4.35Å; D266-A268 PolarHBondContact O-N 3.24Å; A268-H270 PolarHBondContact O-CD2 3.07Å; A268-H270 PolarHBondContact O-N 3.42Å
269	T	62.6	Low	70.5	Confident	110 Å²	110	60.8 Å²	60.8	68%	0.675	34%	0.344	S	S	*	.			trans	-74.4	90	172	57.7	0	0	0	0	109.2	W271	T269-W271 PolarHBondContact O-N 3.24Å
270	H	74.4	Confident	72.6	Confident	20 Å²	20	55.8 Å²	55.8	9%	0.093	32%	0.316	C	S	.	.			trans	-65.4	71.7	175	-66.2	-82	0	0	0	112	D251 F264 A268 G272 K274	D251-H270 WeakPolarHBondContact CB-ND1 3.3Å; D251-H270 PolarHBondContact O-CE1 3.48Å; D251-H270 VanDerWaalsContact OD1-CB 3.27Å; D251-H270 WeakPolarHBondContact OD1-CB 3.41Å; D251-H270 IonicContact OD1-CE1 3.8Å; D251-H270 IonicContact OD1-CG 3.24Å; D251-H270 VanDerWaalsContact OD1-CG 3.24Å; D251-H270 IonicContact OD1-ND1 2.71Å; D251-H270 PolarHBondContact OD1-ND1 3.44Å; F264-H270 WeakPolarHBondContact CB-NE2 3.45Å; F264-H270 AromaticContact CD1-NE2 3.97Å; F264-H270 AromaticContact CD2-CD2 3.21Å; F264-H270 WeakPolarHBondContact CD2-CD2 3.27Å; F264-H270 AromaticContact CD2-NE2 3.86Å; F264-H270 HydrophobicContact CE2-CB 4.06Å; F264-H270 AromaticContact CE2-CD2 3.63Å; F264-H270 AromaticContact CG-CD2 3.4Å; F264-H270 WeakPolarHBondContact CG-CD2 3.25Å; F264-H270 AromaticContact CG-NE2 3.51Å; F264-H270 HydrophobicContact CZ-CB 4.42Å; A268-H270 PolarHBondContact O-CD2 3.07Å; A268-H270 PolarHBondContact O-N 3.42Å; H270-G272 VanDerWaalsContact C-N 3.35Å; H270-G272 PolarHBondContact O-N 3.27Å; H270-K274 WeakPolarHBondContact O-CG 3.32Å
271	W	82.6	Confident	74.5	Confident	187 Å²	187	54.4 Å²	54.4	71%	0.708	30%	0.3	S	S	*	.	H	α-helix	trans	-69.4	-31.7	-174.7	65.2	-95.5	0	0	0	112.5	T269 C273 K274 L275	T269-W271 PolarHBondContact O-N 3.24Å; W271-C273 PolarHBondContact O-N 2.87Å; W271-K274 PolarHBondContact O-N 3.39Å; W271-L275 HydrophobicContact CE3-CD2 4.48Å; W271-L275 HydrophobicContact CZ3-CD2 4.12Å; W271-L275 WeakPolarHBondContact O-CB 3.27Å; W271-L275 PolarHBondContact O-N 2.95Å
272	G	84.2	Confident	76.5	Confident	15 Å²	15	50.6 Å²	50.6	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-46.9	-177.9	0	0	0	0	0	112	H270 L275 I276	H270-G272 VanDerWaalsContact C-N 3.35Å; H270-G272 PolarHBondContact O-N 3.27Å; G272-L275 PolarHBondContact O-N 3.08Å; G272-I276 WeakPolarHBondContact O-CD1 3.18Å; G272-I276 VanDerWaalsContact O-CG1 3.32Å; G272-I276 WeakPolarHBondContact O-CG1 3.45Å; G272-I276 PolarHBondContact O-N 3.45Å
273	C	82.1	Confident	78.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-41.5	178.3	-173.8	0	0	0	0	113.2	F242 T248 F250 D251 W271 L275 I276 I277 C341	F242-C273 VanDerWaalsContact CE1-SG 3.57Å; F242-C273 WeakPolarHBondContact CZ-SG 3.48Å; T248-C273 HydrophobicContact CG2-CB 3.78Å; T248-C273 WeakPolarHBondContact CG2-SG 3.32Å; F250-C273 HydrophobicContact CE2-CB 4.28Å; F250-C273 HydrophobicContact CZ-CB 4.11Å; D251-C273 WeakPolarHBondContact OD2-CB 3.38Å; W271-C273 PolarHBondContact O-N 2.87Å; C273-L275 VanDerWaalsContact C-N 3.28Å; C273-L275 PolarHBondContact O-N 3.33Å; C273-I276 PolarHBondContact O-N 2.88Å; C273-I277 PolarHBondContact O-N 3.31Å; C273-C341 HydrophobicContact CB-CB 4.11Å; C273-C341 WeakPolarHBondContact CB-SG 3.49Å; C273-C341 WeakPolarHBondContact SG-CB 3.28Å; C273-C341 CovalentContact SG-SG 2.01Å; C273-C341 PolarHBondContact SG-SG 3.43Å
274	K	85.5	Confident	79.7	Confident	25 Å²	25	44.4 Å²	44.4	11%	0.109	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-40.8	176.1	-65.2	174	-172.9	-179.9	0	111.2	H270 W271 S278 N338 L340 W342	H270-K274 WeakPolarHBondContact O-CG 3.32Å; W271-K274 PolarHBondContact O-N 3.39Å; K274-S278 VanDerWaalsContact O-CB 3.3Å; K274-S278 WeakPolarHBondContact O-CB 3.45Å; K274-S278 PolarHBondContact O-N 3.46Å; K274-S278 PolarHBondContact O-OG 3.33Å; K274-N338 PolarHBondContact NZ-OD1 3.42Å; K274-L340 WeakPolarHBondContact CE-O 3.19Å; K274-W342 HydrophobicContact CB-CD2 4.35Å; K274-W342 HydrophobicContact CB-CE3 4.12Å; K274-W342 HydrophobicContact CB-CH2 4.28Å; K274-W342 HydrophobicContact CB-CZ2 4.49Å; K274-W342 HydrophobicContact CB-CZ3 4.1Å; K274-W342 HydrophobicContact CD-CZ2 4.06Å; K274-W342 HydrophobicContact CG-CD2 4.17Å; K274-W342 HydrophobicContact CG-CE3 4.45Å; K274-W342 HydrophobicContact CG-CZ2 4.43Å
275	L	89.1	Confident	81.2	Confident	99 Å²	99	43.2 Å²	43.2	52%	0.518	25%	0.252	S	S	.	.	H	α-helix	trans	-64.9	-43.2	175.4	-175.1	65.6	0	0	0	111.7	W271 G272 C273 S278 T279	W271-L275 HydrophobicContact CE3-CD2 4.48Å; W271-L275 HydrophobicContact CZ3-CD2 4.12Å; W271-L275 WeakPolarHBondContact O-CB 3.27Å; W271-L275 PolarHBondContact O-N 2.95Å; G272-L275 PolarHBondContact O-N 3.08Å; C273-L275 VanDerWaalsContact C-N 3.28Å; C273-L275 PolarHBondContact O-N 3.33Å; L275-S278 PolarHBondContact O-N 2.83Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 PolarHBondContact O-N 3.42Å; L275-T279 PolarHBondContact O-OG1 2.79Å
276	I	87.6	Confident	83.1	Confident	28 Å²	28	41.1 Å²	41.1	14%	0.144	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-50	177.4	-69.4	159.8	0	0	0	110.7	L241 F242 F250 G272 C273 S278 T279 W280	L241-I276 HydrophobicContact CD1-CD1 3.6Å; F242-I276 HydrophobicContact CE2-CG2 4.08Å; F250-I276 HydrophobicContact CE1-CD1 4.06Å; F250-I276 HydrophobicContact CZ-CD1 3.99Å; G272-I276 WeakPolarHBondContact O-CD1 3.18Å; G272-I276 VanDerWaalsContact O-CG1 3.32Å; G272-I276 WeakPolarHBondContact O-CG1 3.45Å; G272-I276 PolarHBondContact O-N 3.45Å; C273-I276 PolarHBondContact O-N 2.88Å; I276-S278 VanDerWaalsContact C-N 3.32Å; I276-S278 PolarHBondContact O-N 3.11Å; I276-T279 PolarHBondContact O-N 3.4Å; I276-W280 VanDerWaalsContact O-CB 3.28Å; I276-W280 WeakPolarHBondContact O-CB 3.19Å; I276-W280 PolarHBondContact O-N 2.74Å
277	I	85.5	Confident	84.8	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-37.9	178.9	-68.7	-60.2	0	0	0	111.8	F242 C273 W280 N281 W329 C341 I343	F242-I277 HydrophobicContact CE1-CD1 4.1Å; F242-I277 HydrophobicContact CE1-CG1 4.38Å; F242-I277 HydrophobicContact CE2-CD1 3.76Å; F242-I277 HydrophobicContact CE2-CG1 4.37Å; F242-I277 HydrophobicContact CZ-CD1 3.36Å; F242-I277 HydrophobicContact CZ-CG1 3.63Å; C273-I277 PolarHBondContact O-N 3.31Å; I277-W280 WeakPolarHBondContact O-CB 3.22Å; I277-W280 PolarHBondContact O-N 3.17Å; I277-N281 PolarHBondContact O-N 3.01Å; I277-N281 PolarHBondContact O-ND2 2.94Å; I277-W329 HydrophobicContact CG2-CH2 4.37Å; I277-C341 WeakPolarHBondContact CG1-O 3.3Å; I277-I343 HydrophobicContact CD1-CG1 4.4Å; I277-I343 HydrophobicContact CG1-CG1 4.43Å
278	S	90.6	Very high	86.4	Confident	15 Å²	15	32.3 Å²	32.3	11%	0.105	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-43.7	176.1	-58.5	0	0	0	0	111.9	K274 L275 I276 W280 N281 Y282 W342	K274-S278 VanDerWaalsContact O-CB 3.3Å; K274-S278 WeakPolarHBondContact O-CB 3.45Å; K274-S278 PolarHBondContact O-N 3.46Å; K274-S278 PolarHBondContact O-OG 3.33Å; L275-S278 PolarHBondContact O-N 2.83Å; I276-S278 VanDerWaalsContact C-N 3.32Å; I276-S278 PolarHBondContact O-N 3.11Å; S278-W280 VanDerWaalsContact C-N 3.34Å; S278-N281 PolarHBondContact O-N 3.5Å; S278-Y282 WeakPolarHBondContact O-CB 3.4Å; S278-Y282 PolarHBondContact O-N 3.34Å; S278-W342 VanDerWaalsContact OG-CZ3 3.25Å; S278-W342 WeakPolarHBondContact OG-CZ3 2.95Å
279	T	92.5	Very high	87.8	Confident	41 Å²	41	30.6 Å²	30.6	25%	0.252	15%	0.152	S	C	.	.	H	α-helix	trans	-66.8	-38.2	178.3	-53.5	0	0	0	0	111.3	M234 L275 I276 Y282 S283	M234-T279 HydrophobicContact CE-CG2 3.68Å; M234-T279 HydrophobicContact CG-CG2 4.45Å; M234-T279 HydrophobicContact SD-CG2 3.69Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 PolarHBondContact O-N 3.42Å; L275-T279 PolarHBondContact O-OG1 2.79Å; I276-T279 PolarHBondContact O-N 3.4Å; T279-Y282 PolarHBondContact O-N 2.93Å; T279-S283 WeakPolarHBondContact O-CB 2.97Å; T279-S283 PolarHBondContact O-N 2.94Å
280	W	89.8	Confident	89.4	Confident	14 Å²	14	25.4 Å²	25.4	5%	0.053	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-54.9	171	164.2	-105.1	0	0	0	111.4	M234 C235 I276 I277 S278 Y282 S283 L284 N573	M234-W280 VanDerWaalsContact C-CE3 3.47Å; M234-W280 HydrophobicContact CB-CE3 3.59Å; M234-W280 HydrophobicContact CB-CZ3 4.14Å; C235-W280 HydrophobicContact CB-CH2 4.09Å; C235-W280 HydrophobicContact CB-CZ3 3.77Å; C235-W280 WeakPolarHBondContact SG-CH2 3.35Å; C235-W280 WeakPolarHBondContact SG-CZ3 3.44Å; I276-W280 VanDerWaalsContact O-CB 3.28Å; I276-W280 WeakPolarHBondContact O-CB 3.19Å; I276-W280 PolarHBondContact O-N 2.74Å; I277-W280 WeakPolarHBondContact O-CB 3.22Å; I277-W280 PolarHBondContact O-N 3.17Å; S278-W280 VanDerWaalsContact C-N 3.34Å; W280-Y282 VanDerWaalsContact C-N 3.31Å; W280-Y282 PolarHBondContact O-N 2.82Å; W280-S283 PolarHBondContact O-N 3.42Å; W280-S283 VanDerWaalsContact O-N 3.13Å; W280-S283 PolarHBondContact O-OG 2.88Å; W280-L284 PolarHBondContact O-N 2.87Å; W280-N573 HydrophobicContact CH2-CB 4.17Å; W280-N573 WeakPolarHBondContact CH2-ND2 3.47Å; W280-N573 WeakPolarHBondContact CH2-OD1 3.38Å; W280-N573 HydrophobicContact CZ2-CB 4.13Å; W280-N573 VanDerWaalsContact CZ2-CG 3.44Å; W280-N573 WeakPolarHBondContact CZ2-OD1 3.3Å
281	N	90.4	Very high	90.3	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-39.1	178.7	-78.3	-66.5	0	0	0	112.2	I277 S278 L284 V285 I326 W329 L354	I277-N281 PolarHBondContact O-N 3.01Å; I277-N281 PolarHBondContact O-ND2 2.94Å; S278-N281 PolarHBondContact O-N 3.5Å; N281-L284 WeakPolarHBondContact O-CB 3.43Å; N281-L284 PolarHBondContact O-N 3.04Å; N281-V285 WeakPolarHBondContact O-CG2 3.47Å; N281-V285 PolarHBondContact O-N 3.39Å; N281-I326 HydrophobicContact CB-CD1 3.86Å; N281-W329 HydrophobicContact CB-CZ3 4.49Å; N281-L354 HydrophobicContact CB-CD2 4.07Å; N281-L354 WeakPolarHBondContact OD1-CD2 3.39Å
282	Y	94.7	Very high	90.9	Very high	49 Å²	49	16.5 Å²	16.5	19%	0.192	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-48.1	172.8	174.4	-98.7	0	0	0	112	S278 T279 W280 L284 V285 A286 W319 P322 L323 I326	S278-Y282 WeakPolarHBondContact O-CB 3.4Å; S278-Y282 PolarHBondContact O-N 3.34Å; T279-Y282 PolarHBondContact O-N 2.93Å; W280-Y282 VanDerWaalsContact C-N 3.31Å; W280-Y282 PolarHBondContact O-N 2.82Å; Y282-L284 VanDerWaalsContact C-N 3.25Å; Y282-L284 PolarHBondContact O-N 3.13Å; Y282-V285 PolarHBondContact O-N 3.28Å; Y282-A286 HydrophobicContact CE1-CB 4.41Å; Y282-A286 WeakPolarHBondContact O-CB 3.3Å; Y282-A286 PolarHBondContact O-N 2.95Å; Y282-W319 HydrophobicContact CE1-CE3 4.41Å; Y282-W319 HydrophobicContact CE1-CZ3 4.46Å; Y282-W319 PolarHBondContact OH-O 3.15Å; Y282-P322 HydrophobicContact CD2-CB 4.07Å; Y282-P322 HydrophobicContact CE2-CB 3.75Å; Y282-L323 HydrophobicContact CE2-CB 4.15Å; Y282-I326 HydrophobicContact CD2-CG1 4.21Å
283	S	93.9	Very high	91.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-61.4	-35.4	179.1	77.5	0	0	0	0	112.5	T279 W280 S287	T279-S283 WeakPolarHBondContact O-CB 2.97Å; T279-S283 PolarHBondContact O-N 2.94Å; W280-S283 PolarHBondContact O-N 3.42Å; W280-S283 VanDerWaalsContact O-N 3.13Å; W280-S283 PolarHBondContact O-OG 2.88Å; S283-S287 WeakPolarHBondContact O-CB 3.37Å; S283-S287 PolarHBondContact O-N 3.01Å
284	L	90.2	Very high	91.8	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-64	-55.8	174.4	-177.7	69.9	0	0	0	110.6	W280 N281 Y282 A286 S287 Y288	W280-L284 PolarHBondContact O-N 2.87Å; N281-L284 WeakPolarHBondContact O-CB 3.43Å; N281-L284 PolarHBondContact O-N 3.04Å; Y282-L284 VanDerWaalsContact C-N 3.25Å; Y282-L284 PolarHBondContact O-N 3.13Å; L284-A286 PolarHBondContact O-N 3.32Å; L284-S287 PolarHBondContact O-N 2.82Å; L284-S287 PolarHBondContact O-OG 2.69Å; L284-Y288 HydrophobicContact CD1-CE2 3.74Å; L284-Y288 HydrophobicContact CG-CD2 4.37Å; L284-Y288 HydrophobicContact CG-CE2 3.92Å; L284-Y288 WeakPolarHBondContact O-CD2 3.26Å; L284-Y288 PolarHBondContact O-N 3.01Å
285	V	92.7	Very high	92.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-45.2	-179.8	177.7	0	0	0	0	110.9	N281 Y282 S287 Y288 F289 P322 I325 I326 L354 I358	N281-V285 WeakPolarHBondContact O-CG2 3.47Å; N281-V285 PolarHBondContact O-N 3.39Å; Y282-V285 PolarHBondContact O-N 3.28Å; V285-S287 VanDerWaalsContact C-N 3.29Å; V285-S287 PolarHBondContact O-N 3.35Å; V285-Y288 PolarHBondContact O-N 3.32Å; V285-Y288 VanDerWaalsContact O-N 3.1Å; V285-F289 HydrophobicContact CG1-CD2 3.6Å; V285-F289 HydrophobicContact CG1-CE2 3.6Å; V285-F289 WeakPolarHBondContact O-CD2 3.32Å; V285-F289 PolarHBondContact O-N 3.23Å; V285-P322 HydrophobicContact CB-CB 4.35Å; V285-P322 HydrophobicContact CG1-CB 3.85Å; V285-P322 HydrophobicContact CG1-CG 4.39Å; V285-I325 HydrophobicContact CG1-CD1 4.49Å; V285-I326 HydrophobicContact CG2-CD1 4.18Å; V285-L354 HydrophobicContact CG2-CD1 3.74Å; V285-I358 HydrophobicContact CG2-CD1 3.88Å; V285-I358 HydrophobicContact CG2-CG1 3.99Å
286	A	95.4	Very high	92.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-58.2	-39	177.1	0	0	0	0	0	112.5	Y282 L284 Y288 F289 W290 W319 P322	Y282-A286 HydrophobicContact CE1-CB 4.41Å; Y282-A286 WeakPolarHBondContact O-CB 3.3Å; Y282-A286 PolarHBondContact O-N 2.95Å; L284-A286 PolarHBondContact O-N 3.32Å; A286-Y288 VanDerWaalsContact C-N 3.34Å; A286-Y288 PolarHBondContact O-N 2.7Å; A286-F289 PolarHBondContact O-N 2.95Å; A286-W290 WeakPolarHBondContact O-CB 3.35Å; A286-W290 VanDerWaalsContact O-CD1 3.32Å; A286-W290 PolarHBondContact O-N 3.39Å; A286-W319 HydrophobicContact CB-CE3 4.35Å; A286-W319 HydrophobicContact CB-CZ3 4.17Å; A286-P322 HydrophobicContact CB-CB 4.12Å; A286-P322 HydrophobicContact CB-CG 3.98Å
287	S	93	Very high	92.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-38.8	176.1	75.2	0	0	0	0	113	R231 S283 L284 V285 Q291	R231-S287 WeakPolarHBondContact CD-OG 3.29Å; R231-S287 PolarHBondContact NH1-OG 2.82Å; S283-S287 WeakPolarHBondContact O-CB 3.37Å; S283-S287 PolarHBondContact O-N 3.01Å; L284-S287 PolarHBondContact O-N 2.82Å; L284-S287 PolarHBondContact O-OG 2.69Å; V285-S287 VanDerWaalsContact C-N 3.29Å; V285-S287 PolarHBondContact O-N 3.35Å; S287-Q291 WeakPolarHBondContact O-CG 3.47Å; S287-Q291 PolarHBondContact O-N 3.37Å; S287-Q291 VanDerWaalsContact O-N 3.12Å
288	Y	92.8	Very high	92.5	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.079	C	C	.	.	H	α-helix	trans	-71.6	-38.8	176.3	-71.4	-66.1	0	0	0	112.3	L284 V285 A286 Q291 L292 I358 I362 Y409	L284-Y288 HydrophobicContact CD1-CE2 3.74Å; L284-Y288 HydrophobicContact CG-CD2 4.37Å; L284-Y288 HydrophobicContact CG-CE2 3.92Å; L284-Y288 WeakPolarHBondContact O-CD2 3.26Å; L284-Y288 PolarHBondContact O-N 3.01Å; V285-Y288 PolarHBondContact O-N 3.32Å; V285-Y288 VanDerWaalsContact O-N 3.1Å; A286-Y288 VanDerWaalsContact C-N 3.34Å; A286-Y288 PolarHBondContact O-N 2.7Å; Y288-Q291 WeakPolarHBondContact O-CB 3.36Å; Y288-Q291 PolarHBondContact O-N 3.19Å; Y288-L292 PolarHBondContact O-N 3.34Å; Y288-I358 HydrophobicContact CD2-CG2 3.78Å; Y288-I358 HydrophobicContact CE2-CG2 3.91Å; Y288-I358 HydrophobicContact CG-CG2 4.3Å; Y288-I362 HydrophobicContact CD1-CG1 4.39Å; Y288-I362 HydrophobicContact CE1-CD1 4.42Å; Y288-I362 HydrophobicContact CE1-CG1 4.31Å; Y288-Y409 HydrophobicContact CE1-CD1 4.4Å; Y288-Y409 AromaticContact CE1-CD2 3.74Å; Y288-Y409 HydrophobicContact CE1-CD2 3.74Å; Y288-Y409 HydrophobicContact CE1-CE1 4.32Å; Y288-Y409 AromaticContact CE1-CE2 3.67Å; Y288-Y409 HydrophobicContact CE1-CE2 3.67Å; Y288-Y409 HydrophobicContact CE1-CG 4.14Å; Y288-Y409 AromaticContact CE1-CZ 3.97Å; Y288-Y409 WeakPolarHBondContact OH-CE1 2.8Å
289	F	94.7	Very high	92.3	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.088	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-37.6	173.9	-91.1	-83.7	0	0	0	112.6	V285 A286 L292 M293 A321 P322 I325 I361	V285-F289 HydrophobicContact CG1-CD2 3.6Å; V285-F289 HydrophobicContact CG1-CE2 3.6Å; V285-F289 WeakPolarHBondContact O-CD2 3.32Å; V285-F289 PolarHBondContact O-N 3.23Å; A286-F289 PolarHBondContact O-N 2.95Å; F289-L292 HydrophobicContact CD1-CD2 4.31Å; F289-L292 HydrophobicContact CE1-CD2 4.49Å; F289-L292 CarbonylContact O-C 3.04Å; F289-L292 WeakPolarHBondContact O-CA 3.37Å; F289-L292 WeakPolarHBondContact O-CB 3.26Å; F289-L292 PolarHBondContact O-N 2.81Å; F289-M293 HydrophobicContact CD1-CE 4.39Å; F289-M293 WeakPolarHBondContact O-CG 3.35Å; F289-M293 PolarHBondContact O-N 3.49Å; F289-A321 HydrophobicContact CD1-CB 3.81Å; F289-A321 HydrophobicContact CE1-CB 3.39Å; F289-A321 HydrophobicContact CZ-CB 3.77Å; F289-P322 HydrophobicContact CB-CG 3.78Å; F289-P322 HydrophobicContact CD2-CB 4.32Å; F289-P322 HydrophobicContact CD2-CG 3.59Å; F289-P322 HydrophobicContact CE2-CG 4.31Å; F289-P322 HydrophobicContact CG-CG 3.78Å; F289-I325 HydrophobicContact CE2-CD1 3.4Å; F289-I325 VanDerWaalsContact CE2-CD1 3.4Å; F289-I325 HydrophobicContact CZ-CD1 3.45Å; F289-I325 VanDerWaalsContact CZ-CD1 3.45Å; F289-I361 HydrophobicContact CD2-CD1 3.62Å; F289-I361 HydrophobicContact CE1-CD1 4.09Å; F289-I361 HydrophobicContact CE2-CD1 3.12Å; F289-I361 HydrophobicContact CE2-CG1 4.31Å; F289-I361 HydrophobicContact CG-CD1 4.32Å; F289-I361 HydrophobicContact CZ-CD1 3.4Å; F289-I361 HydrophobicContact CZ-CG1 4.18Å
290	W	95.7	Very high	92.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69.3	-33.7	175.6	-87.9	101.4	0	0	0	112.7	V220 H223 L224 A227 A286 L292 M293 E294 I315 G318 W319	V220-W290 HydrophobicContact CG1-CZ3 4.47Å; H223-W290 HydrophobicContact CB-CD2 3.92Å; H223-W290 HydrophobicContact CB-CE3 3.63Å; H223-W290 HydrophobicContact CB-CH2 3.19Å; H223-W290 HydrophobicContact CB-CZ2 3.51Å; H223-W290 HydrophobicContact CB-CZ3 3.26Å; H223-W290 AromaticContact CG-CH2 3.52Å; H223-W290 AromaticContact CG-CZ2 3.78Å; H223-W290 AromaticContact ND1-CZ2 3.94Å; L224-W290 HydrophobicContact CD1-CB 3.83Å; A227-W290 HydrophobicContact CB-CB 3.82Å; A227-W290 HydrophobicContact CB-CG 3.77Å; A286-W290 WeakPolarHBondContact O-CB 3.35Å; A286-W290 VanDerWaalsContact O-CD1 3.32Å; A286-W290 PolarHBondContact O-N 3.39Å; W290-L292 VanDerWaalsContact C-N 3.31Å; W290-M293 HydrophobicContact CE3-CB 4.17Å; W290-M293 HydrophobicContact CZ3-CB 4.33Å; W290-M293 PolarHBondContact O-N 3.48Å; W290-E294 WeakPolarHBondContact O-CB 3.49Å; W290-E294 PolarHBondContact O-N 3.38Å; W290-I315 HydrophobicContact CH2-CB 4.47Å; W290-I315 HydrophobicContact CH2-CG1 4.17Å; W290-G318 PolarHBondContact NE1-O 2.89Å; W290-W319 AromaticContact CE2-CD1 3.92Å; W290-W319 AromaticContact CE2-CE2 3.73Å; W290-W319 AromaticContact CE2-NE1 3.48Å; W290-W319 AromaticContact CZ2-CD1 3.45Å; W290-W319 VanDerWaalsContact CZ2-CD1 3.45Å; W290-W319 AromaticContact CZ2-CE2 3.92Å; W290-W319 HydrophobicContact CZ2-CG 4.25Å; W290-W319 AromaticContact CZ2-NE1 3.17Å; W290-W319 AromaticContact NE1-CD1 3.78Å; W290-W319 AromaticContact NE1-CD2 3.39Å; W290-W319 AromaticContact NE1-CE2 3.15Å; W290-W319 AromaticContact NE1-CE3 3.91Å; W290-W319 AromaticContact NE1-CG 3.79Å; W290-W319 AromaticContact NE1-CZ2 3.51Å; W290-W319 AromaticContact NE1-NE1 3.38Å
291	Q	93.3	Very high	91.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60.2	-43.2	167.4	-70	166	14	0	0	111.2	L224 F228 S287 Y288 E294 G295	L224-Q291 HydrophobicContact CD1-CG 4.2Å; F228-Q291 HydrophobicContact CZ-CG 4.04Å; F228-Q291 VanDerWaalsContact CZ-NE2 3.3Å; S287-Q291 WeakPolarHBondContact O-CG 3.47Å; S287-Q291 PolarHBondContact O-N 3.37Å; S287-Q291 VanDerWaalsContact O-N 3.12Å; Y288-Q291 WeakPolarHBondContact O-CB 3.36Å; Y288-Q291 PolarHBondContact O-N 3.19Å; Q291-E294 PolarHBondContact O-N 3.49Å; Q291-G295 PolarHBondContact O-N 3.28Å
292	L	94.3	Very high	91.6	Very high	19 Å²	19	23 Å²	23	10%	0.099	11%	0.11	C	C	.	.	H	α-helix	trans	-62.2	-47.1	175.3	176.1	63.8	0	0	0	112	Y288 F289 W290 E294 G295 L296 I361 V364 N365 L368	Y288-L292 PolarHBondContact O-N 3.34Å; F289-L292 HydrophobicContact CD1-CD2 4.31Å; F289-L292 HydrophobicContact CE1-CD2 4.49Å; F289-L292 CarbonylContact O-C 3.04Å; F289-L292 WeakPolarHBondContact O-CA 3.37Å; F289-L292 WeakPolarHBondContact O-CB 3.26Å; F289-L292 PolarHBondContact O-N 2.81Å; W290-L292 VanDerWaalsContact C-N 3.31Å; L292-E294 VanDerWaalsContact C-N 3.33Å; L292-E294 PolarHBondContact O-N 2.58Å; L292-G295 PolarHBondContact O-N 3.36Å; L292-L296 HydrophobicContact CD1-CD1 3.92Å; L292-L296 HydrophobicContact CD1-CG 3.94Å; L292-L296 HydrophobicContact CG-CD1 3.87Å; L292-L296 HydrophobicContact CG-CG 4.3Å; L292-L296 WeakPolarHBondContact O-CB 3.24Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.34Å; L292-L296 PolarHBondContact O-N 2.69Å; L292-I361 HydrophobicContact CB-CG2 4.26Å; L292-I361 HydrophobicContact CD2-CG2 4.39Å; L292-V364 HydrophobicContact CD1-CB 4.47Å; L292-V364 HydrophobicContact CD1-CG1 3.63Å; L292-N365 WeakPolarHBondContact CA-OD1 3.27Å; L292-N365 WeakPolarHBondContact CB-OD1 3.33Å; L292-N365 WeakPolarHBondContact CD1-OD1 3.36Å; L292-L368 HydrophobicContact CD1-CD1 3.56Å
293	M	94.4	Very high	90.8	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-39.6	179.2	-69	-53.8	123.7	0	0	111.8	F289 W290 L296 Y297 Y314 L317	F289-M293 HydrophobicContact CD1-CE 4.39Å; F289-M293 WeakPolarHBondContact O-CG 3.35Å; F289-M293 PolarHBondContact O-N 3.49Å; W290-M293 HydrophobicContact CE3-CB 4.17Å; W290-M293 HydrophobicContact CZ3-CB 4.33Å; W290-M293 PolarHBondContact O-N 3.48Å; M293-L296 HydrophobicContact CE-CD1 4.16Å; M293-Y297 WeakPolarHBondContact O-CB 3.4Å; M293-Y297 PolarHBondContact O-N 2.93Å; M293-Y314 HydrophobicContact SD-CD1 4.24Å; M293-L317 HydrophobicContact CE-CB 3.87Å; M293-L317 HydrophobicContact SD-CB 3.74Å; M293-L317 HydrophobicContact SD-CD1 4.46Å
294	E	92.6	Very high	89.7	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-43.1	174.1	-176.8	165.1	117.5	0	0	111.9	V220 H221 L224 W290 Q291 L292 Y297 L298 V404 Y450	V220-E294 HydrophobicContact CG1-CB 4.17Å; V220-E294 HydrophobicContact CG1-CG 4.38Å; H221-E294 IonicContact CE1-OE2 3.64Å; H221-E294 IonicContact CG-OE2 3.99Å; H221-E294 IonicContact ND1-OE1 3.94Å; H221-E294 IonicContact ND1-OE2 2.86Å; H221-E294 PolarHBondContact ND1-OE2 3.49Å; L224-E294 VanDerWaalsContact CD2-CD 3.41Å; L224-E294 WeakPolarHBondContact CD2-OE1 3.3Å; L224-E294 WeakPolarHBondContact CD2-OE2 3.06Å; W290-E294 WeakPolarHBondContact O-CB 3.49Å; W290-E294 PolarHBondContact O-N 3.38Å; Q291-E294 PolarHBondContact O-N 3.49Å; L292-E294 VanDerWaalsContact C-N 3.33Å; L292-E294 PolarHBondContact O-N 2.58Å; E294-Y297 PolarHBondContact O-N 2.86Å; E294-L298 WeakPolarHBondContact O-CB 3.42Å; E294-L298 PolarHBondContact O-N 3.48Å; E294-V404 VanDerWaalsContact OE1-CG1 3.3Å; E294-V404 WeakPolarHBondContact OE1-CG1 3.49Å; E294-Y450 WeakPolarHBondContact OE1-CE2 3.49Å; E294-Y450 PolarHBondContact OE1-OH 3.01Å
295	G	91.6	Very high	88.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-46.1	174.8	0	0	0	0	0	112.9	Q291 L292 L298 H299	Q291-G295 PolarHBondContact O-N 3.28Å; L292-G295 PolarHBondContact O-N 3.36Å; G295-L298 PolarHBondContact O-N 3.2Å; G295-H299 VanDerWaalsContact O-CB 3.24Å; G295-H299 WeakPolarHBondContact O-CB 3.48Å; G295-H299 PolarHBondContact O-N 3.48Å
296	L	91.2	Very high	86.7	Confident	51 Å²	51	45 Å²	45	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-41.9	176.2	-73.3	174	0	0	0	111.8	L292 M293 H299 N300 L368	L292-L296 HydrophobicContact CD1-CD1 3.92Å; L292-L296 HydrophobicContact CD1-CG 3.94Å; L292-L296 HydrophobicContact CG-CD1 3.87Å; L292-L296 HydrophobicContact CG-CG 4.3Å; L292-L296 WeakPolarHBondContact O-CB 3.24Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.34Å; L292-L296 PolarHBondContact O-N 2.69Å; M293-L296 HydrophobicContact CE-CD1 4.16Å; L296-H299 PolarHBondContact O-N 3.41Å; L296-N300 VanDerWaalsContact O-CB 3.31Å; L296-N300 WeakPolarHBondContact O-CB 3.06Å; L296-N300 PolarHBondContact O-N 3.31Å; L296-N300 PolarHBondContact O-ND2 3.2Å; L296-L368 HydrophobicContact CD2-CD1 3.77Å; L296-L368 HydrophobicContact CD2-CD2 4.01Å; L296-L368 HydrophobicContact CG-CD1 3.91Å
297	Y	90.7	Very high	85	Confident	44 Å²	44	54 Å²	54	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-46.4	176.4	-179	-93.6	0	0	0	111	R217 V220 M293 E294 F301 Y314	R217-Y297 HydrophobicContact CB-CE1 4.05Å; R217-Y297 HydrophobicContact CG-CE1 4.19Å; R217-Y297 PolarHBondContact N-OH 2.72Å; V220-Y297 HydrophobicContact CG2-CD1 4.33Å; V220-Y297 HydrophobicContact CG2-CD2 3.98Å; V220-Y297 HydrophobicContact CG2-CE2 4.19Å; V220-Y297 HydrophobicContact CG2-CG 4.06Å; M293-Y297 WeakPolarHBondContact O-CB 3.4Å; M293-Y297 PolarHBondContact O-N 2.93Å; E294-Y297 PolarHBondContact O-N 2.86Å; Y297-F301 VanDerWaalsContact O-CB 3.3Å; Y297-F301 WeakPolarHBondContact O-CB 3.46Å; Y297-F301 PolarHBondContact O-N 3.04Å; Y297-Y314 HydrophobicContact CD2-CD2 4.44Å; Y297-Y314 HydrophobicContact CD2-CE2 4.27Å
298	L	87.9	Confident	84	Confident	53 Å²	53	61.6 Å²	61.6	28%	0.277	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177.1	-178.1	59.7	0	0	0	111.9	E294 G295 F301 V302 I372	E294-L298 WeakPolarHBondContact O-CB 3.42Å; E294-L298 PolarHBondContact O-N 3.48Å; G295-L298 PolarHBondContact O-N 3.2Å; L298-F301 PolarHBondContact O-N 3.17Å; L298-V302 HydrophobicContact CD1-CG2 4.2Å; L298-V302 WeakPolarHBondContact O-CB 3.21Å; L298-V302 VanDerWaalsContact O-CG2 3.24Å; L298-V302 WeakPolarHBondContact O-CG2 3.27Å; L298-V302 PolarHBondContact O-N 3.15Å; L298-I372 HydrophobicContact CB-CD1 4.41Å; L298-I372 HydrophobicContact CD2-CD1 4.2Å; L298-I372 HydrophobicContact CD2-CG2 3.99Å; L298-I372 HydrophobicContact CG-CD1 4.33Å; L298-I372 HydrophobicContact CG-CG2 4.48Å
299	H	87.3	Confident	83.5	Confident	42 Å²	42	64 Å²	64	19%	0.194	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-46.9	177	-179.8	-83.8	0	0	0	111.6	G295 L296 V302 Y303 L368 I372	G295-H299 VanDerWaalsContact O-CB 3.24Å; G295-H299 WeakPolarHBondContact O-CB 3.48Å; G295-H299 PolarHBondContact O-N 3.48Å; L296-H299 PolarHBondContact O-N 3.41Å; H299-V302 PolarHBondContact O-N 3.4Å; H299-Y303 WeakPolarHBondContact O-CB 3.47Å; H299-Y303 PolarHBondContact O-N 3.26Å; H299-L368 HydrophobicContact CB-CD2 4.26Å; H299-I372 HydrophobicContact CB-CD1 4.3Å; H299-I372 HydrophobicContact CB-CG1 4.3Å
300	N	88.5	Confident	83.2	Confident	40 Å²	40	66.5 Å²	66.5	21%	0.214	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-43.5	177.2	-69.4	-27.9	0	0	0	111.3	L296 V302 Y303 I304 Y314	L296-N300 VanDerWaalsContact O-CB 3.31Å; L296-N300 WeakPolarHBondContact O-CB 3.06Å; L296-N300 PolarHBondContact O-N 3.31Å; L296-N300 PolarHBondContact O-ND2 3.2Å; N300-V302 PolarHBondContact O-N 3.29Å; N300-Y303 PolarHBondContact O-N 3.48Å; N300-I304 CarbonylContact O-C 3.47Å; N300-I304 VanDerWaalsContact O-C 3.3Å; N300-I304 WeakPolarHBondContact O-CA 2.99Å; N300-I304 PolarHBondContact O-N 3.2Å; N300-Y314 PolarHBondContact ND2-OH 2.95Å
301	F	85.3	Confident	83	Confident	113 Å²	113	68.7 Å²	68.7	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-34.2	175	178.4	-97.3	0	0	0	112.6	Y297 L298	Y297-F301 VanDerWaalsContact O-CB 3.3Å; Y297-F301 WeakPolarHBondContact O-CB 3.46Å; Y297-F301 PolarHBondContact O-N 3.04Å; L298-F301 PolarHBondContact O-N 3.17Å
302	V	83.1	Confident	82.9	Confident	33 Å²	33	73.3 Å²	73.3	20%	0.2	36%	0.357	C	S	.	.	H	α-helix	trans	-82.8	-42.2	-177.2	166.5	0	0	0	0	112.8	L298 H299 N300 E375	L298-V302 HydrophobicContact CD1-CG2 4.2Å; L298-V302 WeakPolarHBondContact O-CB 3.21Å; L298-V302 VanDerWaalsContact O-CG2 3.24Å; L298-V302 WeakPolarHBondContact O-CG2 3.27Å; L298-V302 PolarHBondContact O-N 3.15Å; H299-V302 PolarHBondContact O-N 3.4Å; N300-V302 PolarHBondContact O-N 3.29Å; V302-E375 HydrophobicContact CG1-CB 4.05Å; V302-E375 HydrophobicContact CG1-CG 3.17Å
303	Y	78	Confident	82.9	Confident	169 Å²	169	75.1 Å²	75.1	66%	0.663	37%	0.369	S	S	*	.	H	α-helix	trans	-97.8	-39.1	-171.8	-171.5	-101.3	0	0	0	113.4	H299 N300	H299-Y303 WeakPolarHBondContact O-CB 3.47Å; H299-Y303 PolarHBondContact O-N 3.26Å; N300-Y303 PolarHBondContact O-N 3.48Å
304	I	71.7	Confident	82.9	Confident	58 Å²	58	75.7 Å²	75.7	30%	0.297	37%	0.37	S	S	.	.			trans	-111.4	85.8	-176.1	-46.2	177.1	0	0	0	107.5	N300 F306 R307	N300-I304 CarbonylContact O-C 3.47Å; N300-I304 VanDerWaalsContact O-C 3.3Å; N300-I304 WeakPolarHBondContact O-CA 2.99Å; N300-I304 PolarHBondContact O-N 3.2Å; I304-F306 PolarHBondContact O-N 3.3Å; I304-R307 HydrophobicContact CG2-CB 3.77Å; I304-R307 HydrophobicContact CG2-CG 4.04Å
305	V	64.9	Low	83	Confident	111 Å²	111	77.2 Å²	77.2	67%	0.673	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-12.2	178.8	-178.7	0	0	0	0	112.4
306	F	54.2	Low	83.2	Confident	177 Å²	177	82.2 Å²	82.2	78%	0.776	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.1	30.8	-168.6	-69.9	-77.4	0	0	0	117.5	I304	I304-F306 PolarHBondContact O-N 3.3Å
307	R	59.7	Low	83.4	Confident	190 Å²	190	83.7 Å²	83.7	72%	0.717	41%	0.411	S	S	*	.			trans	-92.9	107.7	161.9	-104.6	-171.6	-165.6	-167	4.9	108.8	I304 T309	I304-R307 HydrophobicContact CG2-CB 3.77Å; I304-R307 HydrophobicContact CG2-CG 4.04Å; R307-T309 PolarHBondContact O-N 3.12Å
308	D	72	Confident	83.6	Confident	158 Å²	158	81.6 Å²	81.6	85%	0.845	40%	0.403	S	S	*	.			trans	-65	51.1	168.8	-65.5	-43.8	0	0	0	111.7	P310	D308-P310 VanDerWaalsContact O-CD 3.24Å; D308-P310 WeakPolarHBondContact O-CD 3.48Å
309	T	82.8	Confident	84.1	Confident	51 Å²	51	81.9 Å²	81.9	31%	0.313	40%	0.401	S	S	.	.			trans	-71	115	173.2	-51.8	0	0	0	0	106.6	R307 L311 V313 Y314	R307-T309 PolarHBondContact O-N 3.12Å; T309-L311 PolarHBondContact O-N 3.37Å; T309-V313 HydrophobicContact CG2-CB 4.26Å; T309-V313 HydrophobicContact CG2-CG1 4.33Å; T309-Y314 HydrophobicContact CG2-CD2 4.48Å; T309-Y314 HydrophobicContact CG2-CE2 3.66Å
310	P	88.3	Confident	84.5	Confident	73 Å²	73	81.5 Å²	81.5	47%	0.474	41%	0.408	S	S	.	.			trans	-67.7	139.5	-174	28.9	-34.6	0	0	0	109.5	D308 I312 V313	D308-P310 VanDerWaalsContact O-CD 3.24Å; D308-P310 WeakPolarHBondContact O-CD 3.48Å; P310-I312 HydrophobicContact CB-CG2 4.04Å; P310-I312 HydrophobicContact CG-CG2 4.13Å; P310-I312 PolarHBondContact O-N 3.48Å; P310-V313 HydrophobicContact CG-CG2 3.83Å; P310-V313 WeakPolarHBondContact O-CB 3.38Å; P310-V313 PolarHBondContact O-N 2.72Å
311	L	90.6	Very high	84.8	Confident	47 Å²	47	80.7 Å²	80.7	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-50.2	-33.6	-177.7	177.6	63.4	0	0	0	113	A216 V219 V220 T309 V313 Y314 I315	A216-L311 HydrophobicContact CB-CD2 4.27Å; V219-L311 HydrophobicContact CB-CD2 3.99Å; V219-L311 HydrophobicContact CG1-CD2 3.81Å; V220-L311 HydrophobicContact CG2-CD1 3.5Å; T309-L311 PolarHBondContact O-N 3.37Å; L311-V313 PolarHBondContact O-N 3.46Å; L311-Y314 PolarHBondContact O-N 3.32Å; L311-Y314 VanDerWaalsContact O-N 3.16Å; L311-I315 HydrophobicContact CG-CD1 4.09Å; L311-I315 PolarHBondContact O-N 2.88Å
312	I	92.6	Very high	85.4	Confident	97 Å²	97	75.3 Å²	75.3	50%	0.497	38%	0.383	S	S	.	.	H	α-helix	trans	-57.8	-32.8	179.4	-166.1	60.4	0	0	0	113.2	P310 Y314 I315 I316	P310-I312 HydrophobicContact CB-CG2 4.04Å; P310-I312 HydrophobicContact CG-CG2 4.13Å; P310-I312 PolarHBondContact O-N 3.48Å; I312-Y314 PolarHBondContact O-N 3.21Å; I312-I315 PolarHBondContact O-N 3.35Å; I312-I316 HydrophobicContact CG1-CD1 3.91Å; I312-I316 HydrophobicContact CG1-CG1 4.31Å; I312-I316 WeakPolarHBondContact O-CG1 3.24Å; I312-I316 PolarHBondContact O-N 2.9Å
313	V	93.2	Very high	85.9	Confident	58 Å²	58	77.7 Å²	77.7	35%	0.352	40%	0.395	S	S	.	.	H	α-helix	trans	-64.4	-43.4	178.7	170.6	0	0	0	0	110.3	T309 P310 L311 I315 I316 L317	T309-V313 HydrophobicContact CG2-CB 4.26Å; T309-V313 HydrophobicContact CG2-CG1 4.33Å; P310-V313 HydrophobicContact CG-CG2 3.83Å; P310-V313 WeakPolarHBondContact O-CB 3.38Å; P310-V313 PolarHBondContact O-N 2.72Å; L311-V313 PolarHBondContact O-N 3.46Å; V313-I315 VanDerWaalsContact C-N 3.31Å; V313-I315 PolarHBondContact O-N 3.23Å; V313-I316 PolarHBondContact O-N 3.09Å; V313-L317 HydrophobicContact CG1-CD1 3.88Å; V313-L317 HydrophobicContact CG1-CG 4.41Å; V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 VanDerWaalsContact O-CG 3.27Å; V313-L317 WeakPolarHBondContact O-CG 3.06Å; V313-L317 PolarHBondContact O-N 3.35Å
314	Y	93.8	Very high	86.7	Confident	19 Å²	19	76 Å²	76	8%	0.075	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-36.8	176	-60.2	-82.3	0	0	0	112	M293 Y297 N300 T309 L311 I312 G318	M293-Y314 HydrophobicContact SD-CD1 4.24Å; Y297-Y314 HydrophobicContact CD2-CD2 4.44Å; Y297-Y314 HydrophobicContact CD2-CE2 4.27Å; N300-Y314 PolarHBondContact ND2-OH 2.95Å; T309-Y314 HydrophobicContact CG2-CD2 4.48Å; T309-Y314 HydrophobicContact CG2-CE2 3.66Å; L311-Y314 PolarHBondContact O-N 3.32Å; L311-Y314 VanDerWaalsContact O-N 3.16Å; I312-Y314 PolarHBondContact O-N 3.21Å; Y314-G318 PolarHBondContact O-N 3.38Å
315	I	95.7	Very high	87.8	Confident	36 Å²	36	74.6 Å²	74.6	19%	0.185	39%	0.389	C	S	.	.	H	α-helix	trans	-67.7	-46	177.6	-62.6	170.7	0	0	0	111.1	V219 W290 L311 I312 V313 G318 W319	V219-I315 HydrophobicContact CG1-CD1 4.47Å; W290-I315 HydrophobicContact CH2-CB 4.47Å; W290-I315 HydrophobicContact CH2-CG1 4.17Å; L311-I315 HydrophobicContact CG-CD1 4.09Å; L311-I315 PolarHBondContact O-N 2.88Å; I312-I315 PolarHBondContact O-N 3.35Å; V313-I315 VanDerWaalsContact C-N 3.31Å; V313-I315 PolarHBondContact O-N 3.23Å; I315-G318 PolarHBondContact O-N 3.4Å; I315-W319 PolarHBondContact O-N 3.32Å
316	I	96	Very high	89.1	Confident	106 Å²	106	69.8 Å²	69.8	54%	0.544	36%	0.359	S	S	.	.	H	α-helix	trans	-62.3	-45.1	177.6	-68.9	168.9	0	0	0	110.1	I312 V313 G320	I312-I316 HydrophobicContact CG1-CD1 3.91Å; I312-I316 HydrophobicContact CG1-CG1 4.31Å; I312-I316 WeakPolarHBondContact O-CG1 3.24Å; I312-I316 PolarHBondContact O-N 2.9Å; V313-I316 PolarHBondContact O-N 3.09Å; I316-G320 WeakPolarHBondContact O-CA 2.87Å; I316-G320 PolarHBondContact O-N 3.47Å
317	L	95.3	Very high	91	Very high	82 Å²	82	65.7 Å²	65.7	43%	0.429	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-41.4	178.1	-70.4	175.2	0	0	0	112.1	M293 V313 W319 A321	M293-L317 HydrophobicContact CE-CB 3.87Å; M293-L317 HydrophobicContact SD-CB 3.74Å; M293-L317 HydrophobicContact SD-CD1 4.46Å; V313-L317 HydrophobicContact CG1-CD1 3.88Å; V313-L317 HydrophobicContact CG1-CG 4.41Å; V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 VanDerWaalsContact O-CG 3.27Å; V313-L317 WeakPolarHBondContact O-CG 3.06Å; V313-L317 PolarHBondContact O-N 3.35Å; L317-W319 PolarHBondContact O-N 2.99Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.34Å; L317-A321 VanDerWaalsContact O-N 3.11Å
318	G	95.8	Very high	92.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-35.9	-178.5	0	0	0	0	0	114.3	W290 Y314 I315 P322	W290-G318 PolarHBondContact NE1-O 2.89Å; Y314-G318 PolarHBondContact O-N 3.38Å; I315-G318 PolarHBondContact O-N 3.4Å; G318-P322 WeakPolarHBondContact O-CD 3.36Å; G318-P322 VanDerWaalsContact O-CG 3.22Å; G318-P322 WeakPolarHBondContact O-CG 3.11Å
319	W	97.2	Very high	93.5	Very high	60 Å²	60	52.1 Å²	52.1	23%	0.227	29%	0.29	C	S	.	.	H	α-helix	trans	-101.7	-31.8	178.6	-65.9	109.7	0	0	0	114.3	H223 F226 A227 Y282 A286 W290 I315 L317	H223-W319 AromaticContact CE1-NE1 3.89Å; H223-W319 AromaticContact ND1-NE1 3.23Å; H223-W319 PolarHBondContact ND1-NE1 2.82Å; F226-W319 HydrophobicContact CB-CH2 4.38Å; F226-W319 HydrophobicContact CB-CZ2 4.16Å; A227-W319 HydrophobicContact CB-CH2 4.17Å; Y282-W319 HydrophobicContact CE1-CE3 4.41Å; Y282-W319 HydrophobicContact CE1-CZ3 4.46Å; Y282-W319 PolarHBondContact OH-O 3.15Å; A286-W319 HydrophobicContact CB-CE3 4.35Å; A286-W319 HydrophobicContact CB-CZ3 4.17Å; W290-W319 AromaticContact CE2-CD1 3.92Å; W290-W319 AromaticContact CE2-CE2 3.73Å; W290-W319 AromaticContact CE2-NE1 3.48Å; W290-W319 AromaticContact CZ2-CD1 3.45Å; W290-W319 VanDerWaalsContact CZ2-CD1 3.45Å; W290-W319 AromaticContact CZ2-CE2 3.92Å; W290-W319 HydrophobicContact CZ2-CG 4.25Å; W290-W319 AromaticContact CZ2-NE1 3.17Å; W290-W319 AromaticContact NE1-CD1 3.78Å; W290-W319 AromaticContact NE1-CD2 3.39Å; W290-W319 AromaticContact NE1-CE2 3.15Å; W290-W319 AromaticContact NE1-CE3 3.91Å; W290-W319 AromaticContact NE1-CG 3.79Å; W290-W319 AromaticContact NE1-CZ2 3.51Å; W290-W319 AromaticContact NE1-NE1 3.38Å; I315-W319 PolarHBondContact O-N 3.32Å; L317-W319 PolarHBondContact O-N 2.99Å
320	G	96.4	Very high	93.9	Very high	34 Å²	34	51 Å²	51	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-79.8	-39.2	-177	0	0	0	0	0	113.7	I316 L323 L324	I316-G320 WeakPolarHBondContact O-CA 2.87Å; I316-G320 PolarHBondContact O-N 3.47Å; G320-L323 WeakPolarHBondContact O-CB 3.46Å; G320-L323 PolarHBondContact O-N 2.62Å; G320-L324 PolarHBondContact O-N 3.06Å
321	A	95.2	Very high	94	Very high	23 Å²	23	53 Å²	53	19%	0.19	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-40.1	178.4	0	0	0	0	0	113.4	F289 L317 L323 L324 I325	F289-A321 HydrophobicContact CD1-CB 3.81Å; F289-A321 HydrophobicContact CE1-CB 3.39Å; F289-A321 HydrophobicContact CZ-CB 3.77Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.34Å; L317-A321 VanDerWaalsContact O-N 3.11Å; A321-L323 VanDerWaalsContact C-N 3.29Å; A321-L323 PolarHBondContact O-N 3.5Å; A321-L324 WeakPolarHBondContact O-CB 3.46Å; A321-L324 PolarHBondContact O-N 3.39Å; A321-I325 PolarHBondContact O-N 2.71Å
322	P	96.2	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.4	-40.9	169.2	-26.4	32.6	0	0	0	113.6	Y282 V285 A286 F289 G318 L324 I325 I326	Y282-P322 HydrophobicContact CD2-CB 4.07Å; Y282-P322 HydrophobicContact CE2-CB 3.75Å; V285-P322 HydrophobicContact CB-CB 4.35Å; V285-P322 HydrophobicContact CG1-CB 3.85Å; V285-P322 HydrophobicContact CG1-CG 4.39Å; A286-P322 HydrophobicContact CB-CB 4.12Å; A286-P322 HydrophobicContact CB-CG 3.98Å; F289-P322 HydrophobicContact CB-CG 3.78Å; F289-P322 HydrophobicContact CD2-CB 4.32Å; F289-P322 HydrophobicContact CD2-CG 3.59Å; F289-P322 HydrophobicContact CE2-CG 4.31Å; F289-P322 HydrophobicContact CG-CG 3.78Å; G318-P322 WeakPolarHBondContact O-CD 3.36Å; G318-P322 VanDerWaalsContact O-CG 3.22Å; G318-P322 WeakPolarHBondContact O-CG 3.11Å; P322-L324 VanDerWaalsContact C-N 3.33Å; P322-I325 PolarHBondContact O-N 3.03Å; P322-I326 WeakPolarHBondContact O-CB 3.2Å; P322-I326 VanDerWaalsContact O-CG1 3.27Å; P322-I326 WeakPolarHBondContact O-CG1 3.09Å; P322-I326 PolarHBondContact O-N 2.92Å
323	L	95.1	Very high	93.6	Very high	83 Å²	83	47.8 Å²	47.8	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-40.8	178.8	-175.4	64	0	0	0	110.9	Y282 G320 A321 I325 I326 L327	Y282-L323 HydrophobicContact CE2-CB 4.15Å; G320-L323 WeakPolarHBondContact O-CB 3.46Å; G320-L323 PolarHBondContact O-N 2.62Å; A321-L323 VanDerWaalsContact C-N 3.29Å; A321-L323 PolarHBondContact O-N 3.5Å; L323-I325 PolarHBondContact O-N 2.01Å; L323-I326 PolarHBondContact O-N 2.69Å; L323-L327 HydrophobicContact CD1-CD1 4.17Å; L323-L327 HydrophobicContact CD1-CD2 4.25Å; L323-L327 HydrophobicContact CD1-CG 3.94Å; L323-L327 HydrophobicContact CD2-CD1 4.5Å; L323-L327 HydrophobicContact CG-CD1 3.87Å; L323-L327 HydrophobicContact CG-CG 4.12Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 VanDerWaalsContact O-CG 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.06Å
324	L	94.7	Very high	93.2	Very high	132 Å²	132	49 Å²	49	69%	0.691	27%	0.268	S	S	*	.	H	α-helix	trans	-62	-28.7	177.2	-172.9	65.7	0	0	0	113.2	G320 A321 P322 P328	G320-L324 PolarHBondContact O-N 3.06Å; A321-L324 WeakPolarHBondContact O-CB 3.46Å; A321-L324 PolarHBondContact O-N 3.39Å; P322-L324 VanDerWaalsContact C-N 3.33Å; L324-P328 WeakPolarHBondContact O-CD 3.42Å; L324-P328 WeakPolarHBondContact O-CG 3.37Å
325	I	93.6	Very high	92.8	Very high	30 Å²	30	56 Å²	56	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-84.1	-40.4	175.8	-70.7	158.5	0	0	0	111.6	V285 F289 A321 P322 L323 L354 P357	V285-I325 HydrophobicContact CG1-CD1 4.49Å; F289-I325 HydrophobicContact CE2-CD1 3.4Å; F289-I325 VanDerWaalsContact CE2-CD1 3.4Å; F289-I325 HydrophobicContact CZ-CD1 3.45Å; F289-I325 VanDerWaalsContact CZ-CD1 3.45Å; A321-I325 PolarHBondContact O-N 2.71Å; P322-I325 PolarHBondContact O-N 3.03Å; L323-I325 PolarHBondContact O-N 2.01Å; I325-L354 HydrophobicContact CG2-CD1 4.05Å; I325-P357 HydrophobicContact CD1-CB 3.66Å; I325-P357 HydrophobicContact CD1-CG 4.43Å; I325-P357 HydrophobicContact CG1-CB 4.11Å; I325-P357 HydrophobicContact CG1-CG 4.35Å; I325-P357 HydrophobicContact CG2-CB 4.13Å; I325-P357 HydrophobicContact CG2-CG 4.06Å
326	I	93.6	Very high	91.8	Very high	9 Å²	9	59 Å²	59	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-37.7	-177	-68.7	-73.3	0	0	0	111.7	N281 Y282 V285 P322 L323 W329 V330 L354	N281-I326 HydrophobicContact CB-CD1 3.86Å; Y282-I326 HydrophobicContact CD2-CG1 4.21Å; V285-I326 HydrophobicContact CG2-CD1 4.18Å; P322-I326 WeakPolarHBondContact O-CB 3.2Å; P322-I326 VanDerWaalsContact O-CG1 3.27Å; P322-I326 WeakPolarHBondContact O-CG1 3.09Å; P322-I326 PolarHBondContact O-N 2.92Å; L323-I326 PolarHBondContact O-N 2.69Å; I326-W329 WeakPolarHBondContact O-CB 3.36Å; I326-W329 PolarHBondContact O-N 2.93Å; I326-V330 HydrophobicContact CG2-CG2 3.88Å; I326-V330 WeakPolarHBondContact O-CG2 3.14Å; I326-V330 PolarHBondContact O-N 3.18Å; I326-L354 HydrophobicContact CD1-CD1 3.62Å
327	L	93.4	Very high	90.7	Very high	91 Å²	91	54.1 Å²	54.1	48%	0.476	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-52.7	-177.8	-74.3	173.8	0	0	0	112.9	L323 W329 V330 L331	L323-L327 HydrophobicContact CD1-CD1 4.17Å; L323-L327 HydrophobicContact CD1-CD2 4.25Å; L323-L327 HydrophobicContact CD1-CG 3.94Å; L323-L327 HydrophobicContact CD2-CD1 4.5Å; L323-L327 HydrophobicContact CG-CD1 3.87Å; L323-L327 HydrophobicContact CG-CG 4.12Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 VanDerWaalsContact O-CG 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 3.06Å; L327-W329 VanDerWaalsContact C-N 3.28Å; L327-W329 PolarHBondContact O-N 3.32Å; L327-V330 PolarHBondContact O-N 3.42Å; L327-L331 VanDerWaalsContact O-CG 3.32Å; L327-L331 WeakPolarHBondContact O-CG 3.31Å; L327-L331 PolarHBondContact O-N 3.4Å
328	P	92.5	Very high	89.7	Confident	61 Å²	61	54 Å²	54	40%	0.396	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-40.4	173.4	-26.2	34.4	0	0	0	113.4	L324 L331 V332	L324-P328 WeakPolarHBondContact O-CD 3.42Å; L324-P328 WeakPolarHBondContact O-CG 3.37Å; P328-L331 PolarHBondContact O-N 2.86Å; P328-V332 WeakPolarHBondContact O-CG2 3.41Å; P328-V332 PolarHBondContact O-N 3.42Å
329	W	91	Very high	88.5	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-44.4	178.1	176.5	78.7	0	0	0	112.2	I277 N281 I326 L327 V332 K333 W342 I353 L354	I277-W329 HydrophobicContact CG2-CH2 4.37Å; N281-W329 HydrophobicContact CB-CZ3 4.49Å; I326-W329 WeakPolarHBondContact O-CB 3.36Å; I326-W329 PolarHBondContact O-N 2.93Å; L327-W329 VanDerWaalsContact C-N 3.28Å; L327-W329 PolarHBondContact O-N 3.32Å; W329-V332 PolarHBondContact O-N 3.35Å; W329-K333 HydrophobicContact CD2-CG 4.4Å; W329-K333 HydrophobicContact CZ2-CG 4.11Å; W329-K333 WeakPolarHBondContact O-CG 3.32Å; W329-K333 PolarHBondContact O-N 3.38Å; W329-W342 HydrophobicContact CH2-CE3 4.45Å; W329-I353 HydrophobicContact CB-CG2 4.21Å; W329-L354 HydrophobicContact CD2-CD2 4.16Å; W329-L354 HydrophobicContact CG-CB 4Å; W329-L354 HydrophobicContact CG-CD2 4.43Å; W329-L354 HydrophobicContact CZ2-CD2 4.34Å
330	V	91.6	Very high	87.3	Confident	28 Å²	28	54.2 Å²	54.2	17%	0.17	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-42.6	175.4	171.5	0	0	0	0	110.9	I326 L327 V332 K333 L334 W342	I326-V330 HydrophobicContact CG2-CG2 3.88Å; I326-V330 WeakPolarHBondContact O-CG2 3.14Å; I326-V330 PolarHBondContact O-N 3.18Å; L327-V330 PolarHBondContact O-N 3.42Å; V330-V332 PolarHBondContact O-N 3.16Å; V330-K333 PolarHBondContact O-N 2.99Å; V330-L334 HydrophobicContact CG1-CD1 3.75Å; V330-L334 HydrophobicContact CG1-CG 4.28Å; V330-L334 WeakPolarHBondContact O-CB 3.47Å; V330-L334 VanDerWaalsContact O-CG 3.31Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 3.36Å; V330-W342 HydrophobicContact CG1-CH2 3.99Å; V330-W342 HydrophobicContact CG1-CZ3 4.15Å
331	L	91	Very high	86.2	Confident	114 Å²	114	52.6 Å²	52.6	60%	0.597	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-44.1	178.8	-69.3	173.3	0	0	0	112.2	L327 P328 L334 H335	L327-L331 VanDerWaalsContact O-CG 3.32Å; L327-L331 WeakPolarHBondContact O-CG 3.31Å; L327-L331 PolarHBondContact O-N 3.4Å; P328-L331 PolarHBondContact O-N 2.86Å; L331-L334 PolarHBondContact O-N 2.89Å; L331-H335 PolarHBondContact O-N 3.43Å
332	V	88.8	Confident	85.2	Confident	35 Å²	35	52 Å²	52	21%	0.212	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-41.7	176.2	170.9	0	0	0	0	111	P328 W329 V330 L334 H335 N336 N350 I353	P328-V332 WeakPolarHBondContact O-CG2 3.41Å; P328-V332 PolarHBondContact O-N 3.42Å; W329-V332 PolarHBondContact O-N 3.35Å; V330-V332 PolarHBondContact O-N 3.16Å; V332-L334 PolarHBondContact O-N 3.34Å; V332-H335 PolarHBondContact O-N 2.95Å; V332-N336 WeakPolarHBondContact O-CB 3.41Å; V332-N336 PolarHBondContact O-N 2.81Å; V332-N350 HydrophobicContact CG1-CB 4.43Å; V332-N350 WeakPolarHBondContact CG1-OD1 3.35Å; V332-I353 HydrophobicContact CB-CD1 4.31Å; V332-I353 HydrophobicContact CG1-CD1 4.04Å; V332-I353 HydrophobicContact CG2-CD1 4Å
333	K	84.6	Confident	83.8	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-34.9	176	-76.2	-65.9	-170.1	-180	0	113.2	W329 V330 E337 N338 W342 Q344	W329-K333 HydrophobicContact CD2-CG 4.4Å; W329-K333 HydrophobicContact CZ2-CG 4.11Å; W329-K333 WeakPolarHBondContact O-CG 3.32Å; W329-K333 PolarHBondContact O-N 3.38Å; V330-K333 PolarHBondContact O-N 2.99Å; K333-E337 HydrophobicContact CD-CB 4.05Å; K333-E337 IonicContact NZ-OE2 2.69Å; K333-E337 PolarHBondContact NZ-OE2 2.94Å; K333-E337 CarbonylContact O-C 3.5Å; K333-E337 PolarHBondContact O-N 2.87Å; K333-N338 PolarHBondContact O-N 3.13Å; K333-W342 HydrophobicContact CB-CD2 3.87Å; K333-W342 HydrophobicContact CB-CE3 4.28Å; K333-W342 HydrophobicContact CB-CG 4.21Å; K333-W342 HydrophobicContact CB-CH2 4.48Å; K333-W342 HydrophobicContact CB-CZ2 4.08Å; K333-W342 HydrophobicContact CD-CB 4.47Å; K333-W342 HydrophobicContact CD-CG 4.34Å; K333-W342 HydrophobicContact CG-CD2 4.43Å; K333-W342 HydrophobicContact CG-CG 4.43Å; K333-Q344 PolarHBondContact NZ-O 3.41Å
334	L	86.3	Confident	82.1	Confident	84 Å²	84	50.2 Å²	50.2	44%	0.44	26%	0.26	S	S	.	.	H	α-helix	trans	-69.1	-41.6	176.1	-77.5	165.9	0	0	0	112.7	V330 L331 V332 W342	V330-L334 HydrophobicContact CG1-CD1 3.75Å; V330-L334 HydrophobicContact CG1-CG 4.28Å; V330-L334 WeakPolarHBondContact O-CB 3.47Å; V330-L334 VanDerWaalsContact O-CG 3.31Å; V330-L334 WeakPolarHBondContact O-CG 3.35Å; V330-L334 PolarHBondContact O-N 3.36Å; L331-L334 PolarHBondContact O-N 2.89Å; V332-L334 PolarHBondContact O-N 3.34Å; L334-W342 HydrophobicContact CD1-CH2 4.49Å; L334-W342 HydrophobicContact CD2-CH2 3.75Å; L334-W342 HydrophobicContact CD2-CZ2 3.53Å; L334-W342 HydrophobicContact CG-CH2 3.71Å; L334-W342 HydrophobicContact CG-CZ2 3.67Å
335	H	84.3	Confident	80.4	Confident	166 Å²	166	45.4 Å²	45.4	77%	0.769	23%	0.233	S	C	*	.	H	α-helix	trans	-85.9	-42.4	-174.1	-165.4	59.5	0	0	0	113.1	L331 V332	L331-H335 PolarHBondContact O-N 3.43Å; V332-H335 PolarHBondContact O-N 2.95Å
336	N	76.2	Confident	78.6	Confident	98 Å²	98	50.2 Å²	50.2	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-102.6	-25.9	-169	-61.8	-14.3	0	0	0	113.6	V332	V332-N336 WeakPolarHBondContact O-CB 3.41Å; V332-N336 PolarHBondContact O-N 2.81Å
337	E	71.2	Confident	77	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	27%	0.273	C	S	.	.			trans	-142.2	47.7	-166.7	-71	-173.4	-179.6	0	0	112.8	K333 Y339 W342 N347 N350	K333-E337 HydrophobicContact CD-CB 4.05Å; K333-E337 IonicContact NZ-OE2 2.69Å; K333-E337 PolarHBondContact NZ-OE2 2.94Å; K333-E337 CarbonylContact O-C 3.5Å; K333-E337 PolarHBondContact O-N 2.87Å; E337-Y339 HydrophobicContact CB-CD1 4.17Å; E337-Y339 HydrophobicContact CB-CE1 3.69Å; E337-Y339 HydrophobicContact CG-CE1 4.04Å; E337-Y339 PolarHBondContact O-N 2.65Å; E337-W342 PolarHBondContact O-NE1 2.89Å; E337-N347 WeakPolarHBondContact OE1-CB 3.26Å; E337-N347 PolarHBondContact OE1-N 3.17Å; E337-N347 PolarHBondContact OE1-ND2 3.17Å; E337-N350 VanDerWaalsContact CD-ND2 3.33Å; E337-N350 PolarHBondContact OE1-ND2 3.01Å
338	N	75.4	Confident	75.4	Confident	80 Å²	80	54 Å²	54	43%	0.428	28%	0.275	S	S	.	.			trans	-81.6	43.5	-175	-163.1	25.1	0	0	0	114.7	K274 K333	K274-N338 PolarHBondContact NZ-OD1 3.42Å; K333-N338 PolarHBondContact O-N 3.13Å
339	Y	70.5	Confident	74.2	Confident	47 Å²	47	57.5 Å²	57.5	18%	0.184	29%	0.29	C	S	.	.	S	Bend	trans	-106.8	145.7	178.7	63.3	-85.7	0	0	0	111.4	E337 W342 Q344 Q346	E337-Y339 HydrophobicContact CB-CD1 4.17Å; E337-Y339 HydrophobicContact CB-CE1 3.69Å; E337-Y339 HydrophobicContact CG-CE1 4.04Å; E337-Y339 PolarHBondContact O-N 2.65Å; Y339-W342 PolarHBondContact O-N 3.25Å; Y339-Q344 HydrophobicContact CE2-CB 3.71Å; Y339-Q344 VanDerWaalsContact OH-C 3.32Å; Y339-Q344 PolarHBondContact OH-O 2.99Å; Y339-Q346 HydrophobicContact CE1-CG 4.31Å; Y339-Q346 WeakPolarHBondContact OH-CG 3.48Å; Y339-Q346 PolarHBondContact OH-N 2.7Å
340	L	71.4	Confident	73.1	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.089	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-148.9	179.3	-65.4	162.9	0	0	0	112.5	L254 E262 F264 K274 W342	L254-L340 HydrophobicContact CD2-CD2 4.1Å; L254-L340 HydrophobicContact CG-CD2 4.24Å; E262-L340 HydrophobicContact CB-CD1 4.08Å; E262-L340 HydrophobicContact CB-CD2 4.42Å; F264-L340 HydrophobicContact CD2-CD2 4.36Å; F264-L340 HydrophobicContact CE1-CD2 4.28Å; F264-L340 HydrophobicContact CE2-CB 4.34Å; F264-L340 HydrophobicContact CE2-CD2 4.13Å; F264-L340 HydrophobicContact CZ-CB 4.49Å; F264-L340 HydrophobicContact CZ-CD2 4.07Å; K274-L340 WeakPolarHBondContact CE-O 3.19Å; L340-W342 VanDerWaalsContact C-N 3.33Å
341	C	72.9	Confident	72.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	19.9	175.5	-76.3	0	0	0	0	114.5	F242 D251 C273 I277 I343	F242-C341 HydrophobicContact CE1-CB 4.32Å; D251-C341 PolarHBondContact OD2-SG 3.15Å; C273-C341 HydrophobicContact CB-CB 4.11Å; C273-C341 WeakPolarHBondContact CB-SG 3.49Å; C273-C341 WeakPolarHBondContact SG-CB 3.28Å; C273-C341 CovalentContact SG-SG 2.01Å; C273-C341 PolarHBondContact SG-SG 3.43Å; I277-C341 WeakPolarHBondContact CG1-O 3.3Å; C341-I343 HydrophobicContact CB-CD1 3.85Å; C341-I343 HydrophobicContact CB-CG1 3.67Å; C341-I343 PolarHBondContact O-N 3.19Å; C341-I343 VanDerWaalsContact O-N 3.16Å
342	W	75	Confident	71.5	Confident	9 Å²	9	59.7 Å²	59.7	3%	0.034	29%	0.29	C	S	.	.	S	Bend	trans	59.1	18.8	-173.7	-59.4	-26.7	0	0	0	116.5	K274 S278 W329 V330 K333 L334 E337 Y339 L340	K274-W342 HydrophobicContact CB-CD2 4.35Å; K274-W342 HydrophobicContact CB-CE3 4.12Å; K274-W342 HydrophobicContact CB-CH2 4.28Å; K274-W342 HydrophobicContact CB-CZ2 4.49Å; K274-W342 HydrophobicContact CB-CZ3 4.1Å; K274-W342 HydrophobicContact CD-CZ2 4.06Å; K274-W342 HydrophobicContact CG-CD2 4.17Å; K274-W342 HydrophobicContact CG-CE3 4.45Å; K274-W342 HydrophobicContact CG-CZ2 4.43Å; S278-W342 VanDerWaalsContact OG-CZ3 3.25Å; S278-W342 WeakPolarHBondContact OG-CZ3 2.95Å; W329-W342 HydrophobicContact CH2-CE3 4.45Å; V330-W342 HydrophobicContact CG1-CH2 3.99Å; V330-W342 HydrophobicContact CG1-CZ3 4.15Å; K333-W342 HydrophobicContact CB-CD2 3.87Å; K333-W342 HydrophobicContact CB-CE3 4.28Å; K333-W342 HydrophobicContact CB-CG 4.21Å; K333-W342 HydrophobicContact CB-CH2 4.48Å; K333-W342 HydrophobicContact CB-CZ2 4.08Å; K333-W342 HydrophobicContact CD-CB 4.47Å; K333-W342 HydrophobicContact CD-CG 4.34Å; K333-W342 HydrophobicContact CG-CD2 4.43Å; K333-W342 HydrophobicContact CG-CG 4.43Å; L334-W342 HydrophobicContact CD1-CH2 4.49Å; L334-W342 HydrophobicContact CD2-CH2 3.75Å; L334-W342 HydrophobicContact CD2-CZ2 3.53Å; L334-W342 HydrophobicContact CG-CH2 3.71Å; L334-W342 HydrophobicContact CG-CZ2 3.67Å; E337-W342 PolarHBondContact O-NE1 2.89Å; Y339-W342 PolarHBondContact O-N 3.25Å; L340-W342 VanDerWaalsContact C-N 3.33Å
343	I	66.1	Low	71.2	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.072	29%	0.294	C	S	.	.			trans	-79.2	-29.5	-178.3	-39.9	172.1	0	0	0	111.8	F242 K246 I277 C341 T566	F242-I343 HydrophobicContact CD1-CD1 3.83Å; F242-I343 HydrophobicContact CE1-CD1 3.5Å; F242-I343 HydrophobicContact CE1-CG1 4.36Å; F242-I343 HydrophobicContact CZ-CD1 4.5Å; K246-I343 VanDerWaalsContact O-CD1 3.3Å; K246-I343 WeakPolarHBondContact O-CD1 3.28Å; I277-I343 HydrophobicContact CD1-CG1 4.4Å; I277-I343 HydrophobicContact CG1-CG1 4.43Å; C341-I343 HydrophobicContact CB-CD1 3.85Å; C341-I343 HydrophobicContact CB-CG1 3.67Å; C341-I343 PolarHBondContact O-N 3.19Å; C341-I343 VanDerWaalsContact O-N 3.16Å; I343-T566 HydrophobicContact CB-CG2 3.91Å; I343-T566 HydrophobicContact CD1-CG2 4.44Å; I343-T566 HydrophobicContact CG2-CG2 3.28Å
344	Q	61.2	Low	71.1	Confident	32 Å²	32	60.8 Å²	60.8	15%	0.15	29%	0.294	C	S	.	.			trans	-90	148.1	-179.7	-72.4	177.2	3.8	0	0	110.5	E262 K333 Y339	E262-Q344 PolarHBondContact OE2-NE2 2.86Å; K333-Q344 PolarHBondContact NZ-O 3.41Å; Y339-Q344 HydrophobicContact CE2-CB 3.71Å; Y339-Q344 VanDerWaalsContact OH-C 3.32Å; Y339-Q344 PolarHBondContact OH-O 2.99Å
345	Y	58.7	Low	70.8	Confident	32 Å²	32	57.5 Å²	57.5	13%	0.125	28%	0.276	C	S	.	.			trans	-117.9	124	172.5	-58.6	-98	0	0	0	108.4	F351	Y345-F351 HydrophobicContact CD1-CB 4.01Å; Y345-F351 AromaticContact CD1-CD2 3.76Å; Y345-F351 HydrophobicContact CD1-CD2 3.76Å; Y345-F351 HydrophobicContact CD1-CG 4.39Å; Y345-F351 HydrophobicContact CD2-CD2 4.02Å; Y345-F351 HydrophobicContact CD2-CE2 4.49Å; Y345-F351 HydrophobicContact CE1-CB 4.43Å; Y345-F351 AromaticContact CE1-CD2 3.76Å; Y345-F351 HydrophobicContact CE1-CD2 3.76Å; Y345-F351 HydrophobicContact CE2-CD2 4.04Å; Y345-F351 HydrophobicContact CE2-CE2 4.26Å; Y345-F351 AromaticContact CG-CD2 3.89Å; Y345-F351 HydrophobicContact CG-CD2 3.89Å; Y345-F351 AromaticContact CZ-CD2 3.91Å
346	Q	54.9	Low	70.8	Confident	131 Å²	131	50.4 Å²	50.4	61%	0.612	25%	0.247	S	C	*	.	S	Bend	trans	-92.7	-43.2	171.8	-77.5	-174.4	10.3	0	0	111.1	Y339	Y339-Q346 HydrophobicContact CE1-CG 4.31Å; Y339-Q346 WeakPolarHBondContact OH-CG 3.48Å; Y339-Q346 PolarHBondContact OH-N 2.7Å
347	N	61.2	Low	71.5	Confident	81 Å²	81	47.7 Å²	47.7	43%	0.433	24%	0.235	S	C	.	.			trans	-98.5	127.3	179.5	-59.8	-59.8	0	0	0	112	E337 D349 N350 F351	E337-N347 WeakPolarHBondContact OE1-CB 3.26Å; E337-N347 PolarHBondContact OE1-N 3.17Å; E337-N347 PolarHBondContact OE1-ND2 3.17Å; N347-D349 VanDerWaalsContact C-N 3.26Å; N347-D349 PolarHBondContact O-N 2.85Å; N347-N350 HydrophobicContact CB-CB 4.39Å; N347-N350 PolarHBondContact O-N 3.4Å; N347-F351 PolarHBondContact O-N 3.37Å
348	L	60	Low	72.2	Confident	97 Å²	97	47.5 Å²	47.5	51%	0.508	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-29.1	176	-68.4	172.7	0	0	0	112.2	F351	L348-F351 VanDerWaalsContact O-CB 3.29Å; L348-F351 WeakPolarHBondContact O-CB 3.35Å; L348-F351 PolarHBondContact O-N 3.34Å
349	D	65.4	Low	72.7	Confident	135 Å²	135	44.7 Å²	44.7	72%	0.722	22%	0.219	S	C	*	.	H	α-helix	trans	-69.1	-41.7	-179.7	-61.4	-25.6	0	0	0	111.4	N347 F351 W352	N347-D349 VanDerWaalsContact C-N 3.26Å; N347-D349 PolarHBondContact O-N 2.85Å; D349-F351 PolarHBondContact O-N 2.8Å; D349-W352 PolarHBondContact O-N 3.35Å
350	N	68.4	Low	73.6	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-24.7	176.4	-68.9	-18.7	0	0	0	112.5	V332 E337 N347 W352	V332-N350 HydrophobicContact CG1-CB 4.43Å; V332-N350 WeakPolarHBondContact CG1-OD1 3.35Å; E337-N350 VanDerWaalsContact CD-ND2 3.33Å; E337-N350 PolarHBondContact OE1-ND2 3.01Å; N347-N350 HydrophobicContact CB-CB 4.39Å; N347-N350 PolarHBondContact O-N 3.4Å; N350-W352 VanDerWaalsContact C-N 3.34Å
351	F	70.5	Confident	74.6	Confident	10 Å²	10	46.4 Å²	46.4	4%	0.044	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-36.4	176.5	177	-92.9	0	0	0	112.1	Y345 N347 L348 D349 I353 R355 V579	Y345-F351 HydrophobicContact CD1-CB 4.01Å; Y345-F351 AromaticContact CD1-CD2 3.76Å; Y345-F351 HydrophobicContact CD1-CD2 3.76Å; Y345-F351 HydrophobicContact CD1-CG 4.39Å; Y345-F351 HydrophobicContact CD2-CD2 4.02Å; Y345-F351 HydrophobicContact CD2-CE2 4.49Å; Y345-F351 HydrophobicContact CE1-CB 4.43Å; Y345-F351 AromaticContact CE1-CD2 3.76Å; Y345-F351 HydrophobicContact CE1-CD2 3.76Å; Y345-F351 HydrophobicContact CE2-CD2 4.04Å; Y345-F351 HydrophobicContact CE2-CE2 4.26Å; Y345-F351 AromaticContact CG-CD2 3.89Å; Y345-F351 HydrophobicContact CG-CD2 3.89Å; Y345-F351 AromaticContact CZ-CD2 3.91Å; N347-F351 PolarHBondContact O-N 3.37Å; L348-F351 VanDerWaalsContact O-CB 3.29Å; L348-F351 WeakPolarHBondContact O-CB 3.35Å; L348-F351 PolarHBondContact O-N 3.34Å; D349-F351 PolarHBondContact O-N 2.8Å; F351-I353 PolarHBondContact O-N 3.42Å; F351-R355 HydrophobicContact CD1-CG 4.23Å; F351-R355 HydrophobicContact CE1-CB 4.2Å; F351-R355 HydrophobicContact CE1-CG 3.76Å; F351-R355 HydrophobicContact CE2-CG 4.08Å; F351-R355 HydrophobicContact CZ-CG 3.68Å; F351-R355 WeakPolarHBondContact O-CG 3.4Å; F351-R355 PolarHBondContact O-N 2.99Å; F351-V579 HydrophobicContact CE1-CG2 3.62Å; F351-V579 HydrophobicContact CZ-CG2 3.47Å; F351-V579 VanDerWaalsContact CZ-CG2 3.47Å
352	W	78.7	Confident	75.3	Confident	158 Å²	158	46.6 Å²	46.6	60%	0.598	24%	0.235	S	C	*	.	H	α-helix	trans	-74.2	-21	-177.6	-81	99.6	0	0	0	114.4	D349 N350 L354 R355 G356	D349-W352 PolarHBondContact O-N 3.35Å; N350-W352 VanDerWaalsContact C-N 3.34Å; W352-L354 VanDerWaalsContact C-N 3.31Å; W352-L354 PolarHBondContact O-N 3.05Å; W352-R355 PolarHBondContact O-N 3.16Å; W352-G356 WeakPolarHBondContact O-CA 3.3Å; W352-G356 PolarHBondContact O-N 3.4Å
353	I	83	Confident	76	Confident	59 Å²	59	49.7 Å²	49.7	30%	0.303	25%	0.252	S	S	.	.	H	α-helix	trans	-56.9	-44.1	-178.8	-62.3	176.2	0	0	0	111.7	W329 V332 F351 P357	W329-I353 HydrophobicContact CB-CG2 4.21Å; V332-I353 HydrophobicContact CB-CD1 4.31Å; V332-I353 HydrophobicContact CG1-CD1 4.04Å; V332-I353 HydrophobicContact CG2-CD1 4Å; F351-I353 PolarHBondContact O-N 3.42Å; I353-P357 WeakPolarHBondContact O-CD 3.36Å; I353-P357 WeakPolarHBondContact O-CG 3.3Å
354	L	83	Confident	77.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-87.6	-39.1	178.1	179.7	61.2	0	0	0	112.1	N281 V285 I325 I326 W329 W352 I358	N281-L354 HydrophobicContact CB-CD2 4.07Å; N281-L354 WeakPolarHBondContact OD1-CD2 3.39Å; V285-L354 HydrophobicContact CG2-CD1 3.74Å; I325-L354 HydrophobicContact CG2-CD1 4.05Å; I326-L354 HydrophobicContact CD1-CD1 3.62Å; W329-L354 HydrophobicContact CD2-CD2 4.16Å; W329-L354 HydrophobicContact CG-CB 4Å; W329-L354 HydrophobicContact CG-CD2 4.43Å; W329-L354 HydrophobicContact CZ2-CD2 4.34Å; W352-L354 VanDerWaalsContact C-N 3.31Å; W352-L354 PolarHBondContact O-N 3.05Å; L354-I358 HydrophobicContact CD1-CD1 4.49Å; L354-I358 HydrophobicContact CG-CD1 4.3Å; L354-I358 WeakPolarHBondContact O-CD1 2.96Å; L354-I358 WeakPolarHBondContact O-CG1 2.77Å
355	R	79.2	Confident	78.7	Confident	14 Å²	14	50.6 Å²	50.6	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-78.8	-36.5	-172	-62.6	-50.6	-157.1	-174.4	1.9	113.6	F351 W352 I358 M359 T578	F351-R355 HydrophobicContact CD1-CG 4.23Å; F351-R355 HydrophobicContact CE1-CB 4.2Å; F351-R355 HydrophobicContact CE1-CG 3.76Å; F351-R355 HydrophobicContact CE2-CG 4.08Å; F351-R355 HydrophobicContact CZ-CG 3.68Å; F351-R355 WeakPolarHBondContact O-CG 3.4Å; F351-R355 PolarHBondContact O-N 2.99Å; W352-R355 PolarHBondContact O-N 3.16Å; R355-I358 PolarHBondContact O-N 3.03Å; R355-I358 VanDerWaalsContact O-N 3.15Å; R355-M359 WeakPolarHBondContact O-CG 3.46Å; R355-M359 PolarHBondContact O-N 3.2Å; R355-T578 PolarHBondContact NE-OG1 2.89Å; R355-T578 VanDerWaalsContact NH2-CG2 3.34Å; R355-T578 PolarHBondContact NH2-OG1 3.04Å
356	G	84.3	Confident	80.1	Confident	17 Å²	17	51.3 Å²	51.3	18%	0.175	26%	0.264	C	S	.	.	H	α-helix	trans	-54	-52.6	177.7	0	0	0	0	0	112.8	W352 I358 M359 V360	W352-G356 WeakPolarHBondContact O-CA 3.3Å; W352-G356 PolarHBondContact O-N 3.4Å; G356-I358 VanDerWaalsContact C-N 3.32Å; G356-I358 PolarHBondContact O-N 3.1Å; G356-M359 WeakPolarHBondContact O-CB 3.34Å; G356-M359 PolarHBondContact O-N 3.38Å; G356-M359 VanDerWaalsContact O-N 3.13Å; G356-V360 WeakPolarHBondContact O-CG2 3.39Å; G356-V360 PolarHBondContact O-N 3.42Å
357	P	90.4	Very high	81.9	Confident	41 Å²	41	48.1 Å²	48.1	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-58.2	-40	175.3	-27.5	35.7	0	0	0	113.7	I325 I353 M359 V360 I361	I325-P357 HydrophobicContact CD1-CB 3.66Å; I325-P357 HydrophobicContact CD1-CG 4.43Å; I325-P357 HydrophobicContact CG1-CB 4.11Å; I325-P357 HydrophobicContact CG1-CG 4.35Å; I325-P357 HydrophobicContact CG2-CB 4.13Å; I325-P357 HydrophobicContact CG2-CG 4.06Å; I353-P357 WeakPolarHBondContact O-CD 3.36Å; I353-P357 WeakPolarHBondContact O-CG 3.3Å; P357-M359 VanDerWaalsContact C-N 3.31Å; P357-M359 PolarHBondContact O-N 3.44Å; P357-V360 PolarHBondContact O-N 2.86Å; P357-I361 VanDerWaalsContact O-CD1 3.27Å; P357-I361 WeakPolarHBondContact O-CD1 2.93Å; P357-I361 WeakPolarHBondContact O-CG1 3.39Å; P357-I361 PolarHBondContact O-N 2.93Å
358	I	87.2	Confident	83.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-41	177.3	-56.3	166.9	0	0	0	110.5	V285 Y288 L354 R355 G356 I361 I362 V575	V285-I358 HydrophobicContact CG2-CD1 3.88Å; V285-I358 HydrophobicContact CG2-CG1 3.99Å; Y288-I358 HydrophobicContact CD2-CG2 3.78Å; Y288-I358 HydrophobicContact CE2-CG2 3.91Å; Y288-I358 HydrophobicContact CG-CG2 4.3Å; L354-I358 HydrophobicContact CD1-CD1 4.49Å; L354-I358 HydrophobicContact CG-CD1 4.3Å; L354-I358 WeakPolarHBondContact O-CD1 2.96Å; L354-I358 WeakPolarHBondContact O-CG1 2.77Å; R355-I358 PolarHBondContact O-N 3.03Å; R355-I358 VanDerWaalsContact O-N 3.15Å; G356-I358 VanDerWaalsContact C-N 3.32Å; G356-I358 PolarHBondContact O-N 3.1Å; I358-I361 PolarHBondContact O-N 3.28Å; I358-I362 HydrophobicContact CG2-CD1 3.96Å; I358-I362 HydrophobicContact CG2-CG1 4.4Å; I358-I362 WeakPolarHBondContact O-CG1 3.09Å; I358-I362 PolarHBondContact O-N 3.49Å; I358-V575 HydrophobicContact CB-CG2 4.08Å; I358-V575 HydrophobicContact CD1-CG2 4.29Å; I358-V575 HydrophobicContact CG2-CG2 3.35Å
359	M	84.9	Confident	84.6	Confident	22 Å²	22	40.6 Å²	40.6	11%	0.108	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-44.9	176.6	-73.6	-49.3	-47.3	0	0	112.8	R355 G356 P357 I361 I362 I363 V575 Y576	R355-M359 WeakPolarHBondContact O-CG 3.46Å; R355-M359 PolarHBondContact O-N 3.2Å; G356-M359 WeakPolarHBondContact O-CB 3.34Å; G356-M359 PolarHBondContact O-N 3.38Å; G356-M359 VanDerWaalsContact O-N 3.13Å; P357-M359 VanDerWaalsContact C-N 3.31Å; P357-M359 PolarHBondContact O-N 3.44Å; M359-I361 VanDerWaalsContact C-N 3.29Å; M359-I361 PolarHBondContact O-N 3.37Å; M359-I362 PolarHBondContact O-N 3.17Å; M359-I362 HydrophobicContact SD-CD1 4.31Å; M359-I363 VanDerWaalsContact O-CG1 3.31Å; M359-I363 WeakPolarHBondContact O-CG1 3.35Å; M359-I363 PolarHBondContact O-N 3.09Å; M359-V575 HydrophobicContact CG-CG1 4.26Å; M359-V575 HydrophobicContact SD-CG1 3.69Å; M359-Y576 HydrophobicContact CE-CE2 3.68Å; M359-Y576 WeakPolarHBondContact CE-OH 3.38Å; M359-Y576 HydrophobicContact SD-CD2 4.34Å; M359-Y576 HydrophobicContact SD-CE1 4.42Å; M359-Y576 HydrophobicContact SD-CE2 3.26Å; M359-Y576 WeakPolarHBondContact SD-CE2 3.41Å; M359-Y576 PolarHBondContact SD-OH 2.95Å
360	V	90	Very high	85.7	Confident	89 Å²	89	38.3 Å²	38.3	54%	0.539	20%	0.202	S	C	.	.	H	α-helix	trans	-58.9	-43.7	175.3	174	0	0	0	0	110.6	G356 P357 I362 I363 V364	G356-V360 WeakPolarHBondContact O-CG2 3.39Å; G356-V360 PolarHBondContact O-N 3.42Å; P357-V360 PolarHBondContact O-N 2.86Å; V360-I362 PolarHBondContact O-N 2.96Å; V360-I363 PolarHBondContact O-N 3.46Å; V360-V364 HydrophobicContact CG1-CG2 4.38Å; V360-V364 VanDerWaalsContact O-CG2 3.3Å; V360-V364 WeakPolarHBondContact O-CG2 3.44Å; V360-V364 PolarHBondContact O-N 3.39Å
361	I	91.4	Very high	86.7	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-42.8	178.8	-65	156.5	0	0	0	111.6	F289 L292 P357 I358 M359 I363 V364 N365	F289-I361 HydrophobicContact CD2-CD1 3.62Å; F289-I361 HydrophobicContact CE1-CD1 4.09Å; F289-I361 HydrophobicContact CE2-CD1 3.12Å; F289-I361 HydrophobicContact CE2-CG1 4.31Å; F289-I361 HydrophobicContact CG-CD1 4.32Å; F289-I361 HydrophobicContact CZ-CD1 3.4Å; F289-I361 HydrophobicContact CZ-CG1 4.18Å; L292-I361 HydrophobicContact CB-CG2 4.26Å; L292-I361 HydrophobicContact CD2-CG2 4.39Å; P357-I361 VanDerWaalsContact O-CD1 3.27Å; P357-I361 WeakPolarHBondContact O-CD1 2.93Å; P357-I361 WeakPolarHBondContact O-CG1 3.39Å; P357-I361 PolarHBondContact O-N 2.93Å; I358-I361 PolarHBondContact O-N 3.28Å; M359-I361 VanDerWaalsContact C-N 3.29Å; M359-I361 PolarHBondContact O-N 3.37Å; I361-I363 VanDerWaalsContact C-N 3.31Å; I361-I363 PolarHBondContact O-N 3.04Å; I361-V364 PolarHBondContact O-N 3.46Å; I361-N365 WeakPolarHBondContact O-CB 3.18Å; I361-N365 VanDerWaalsContact O-CG 3.27Å; I361-N365 PolarHBondContact O-N 3.46Å
362	I	88.5	Confident	87.5	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-43.8	177.1	-71	167.6	0	0	0	110.5	Y288 I358 M359 V360 N365 F366 F410 V575	Y288-I362 HydrophobicContact CD1-CG1 4.39Å; Y288-I362 HydrophobicContact CE1-CD1 4.42Å; Y288-I362 HydrophobicContact CE1-CG1 4.31Å; I358-I362 HydrophobicContact CG2-CD1 3.96Å; I358-I362 HydrophobicContact CG2-CG1 4.4Å; I358-I362 WeakPolarHBondContact O-CG1 3.09Å; I358-I362 PolarHBondContact O-N 3.49Å; M359-I362 PolarHBondContact O-N 3.17Å; M359-I362 HydrophobicContact SD-CD1 4.31Å; V360-I362 PolarHBondContact O-N 2.96Å; I362-N365 PolarHBondContact O-N 3.04Å; I362-F366 WeakPolarHBondContact O-CB 3.35Å; I362-F366 PolarHBondContact O-N 3.23Å; I362-F410 HydrophobicContact CG2-CB 3.81Å; I362-F410 HydrophobicContact CG2-CD2 4.38Å; I362-V575 HydrophobicContact CD1-CG2 4.18Å
363	I	89.3	Confident	87.9	Confident	75 Å²	75	33 Å²	33	39%	0.385	19%	0.187	S	C	.	.	H	α-helix	trans	-63	-48	177.1	-66.5	164.7	0	0	0	110.5	M359 V360 I361 N365 F366 C367 F410	M359-I363 VanDerWaalsContact O-CG1 3.31Å; M359-I363 WeakPolarHBondContact O-CG1 3.35Å; M359-I363 PolarHBondContact O-N 3.09Å; V360-I363 PolarHBondContact O-N 3.46Å; I361-I363 VanDerWaalsContact C-N 3.31Å; I361-I363 PolarHBondContact O-N 3.04Å; I363-N365 VanDerWaalsContact C-N 3.35Å; I363-N365 PolarHBondContact O-N 3.47Å; I363-F366 WeakPolarHBondContact O-CB 2.99Å; I363-F366 PolarHBondContact O-N 3.37Å; I363-C367 PolarHBondContact O-N 3.2Å; I363-C367 PolarHBondContact O-SG 3.49Å; I363-C367 VanDerWaalsContact O-SG 3.35Å; I363-F410 HydrophobicContact CG1-CD2 4.02Å; I363-F410 HydrophobicContact CG1-CE2 3.86Å
364	V	91.7	Very high	88.1	Confident	60 Å²	60	37.1 Å²	37.1	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-61.5	-43.1	178.4	174.3	0	0	0	0	111.1	L292 V360 I361 F366 C367 L368	L292-V364 HydrophobicContact CD1-CB 4.47Å; L292-V364 HydrophobicContact CD1-CG1 3.63Å; V360-V364 HydrophobicContact CG1-CG2 4.38Å; V360-V364 VanDerWaalsContact O-CG2 3.3Å; V360-V364 WeakPolarHBondContact O-CG2 3.44Å; V360-V364 PolarHBondContact O-N 3.39Å; I361-V364 PolarHBondContact O-N 3.46Å; V364-F366 VanDerWaalsContact C-N 3.31Å; V364-F366 PolarHBondContact O-N 3.06Å; V364-C367 PolarHBondContact O-N 3.35Å; V364-L368 HydrophobicContact CG1-CD1 4.18Å; V364-L368 HydrophobicContact CG1-CG 4.45Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.42Å
365	N	91.1	Very high	88.2	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-40.3	175.6	-77.1	-8.3	0	0	0	112	L292 I361 I362 I363 L368 C369	L292-N365 WeakPolarHBondContact CA-OD1 3.27Å; L292-N365 WeakPolarHBondContact CB-OD1 3.33Å; L292-N365 WeakPolarHBondContact CD1-OD1 3.36Å; I361-N365 WeakPolarHBondContact O-CB 3.18Å; I361-N365 VanDerWaalsContact O-CG 3.27Å; I361-N365 PolarHBondContact O-N 3.46Å; I362-N365 PolarHBondContact O-N 3.04Å; I363-N365 VanDerWaalsContact C-N 3.35Å; I363-N365 PolarHBondContact O-N 3.47Å; N365-L368 PolarHBondContact O-N 2.84Å; N365-C369 VanDerWaalsContact O-CB 3.31Å; N365-C369 WeakPolarHBondContact O-CB 3.43Å; N365-C369 PolarHBondContact O-N 3.45Å
366	F	89.6	Confident	88.5	Confident	48 Å²	48	41.2 Å²	41.2	21%	0.211	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-44.9	175.5	-178.5	-105.5	0	0	0	112	I362 I363 V364 L368 C369 I370 F410 I411	I362-F366 WeakPolarHBondContact O-CB 3.35Å; I362-F366 PolarHBondContact O-N 3.23Å; I363-F366 WeakPolarHBondContact O-CB 2.99Å; I363-F366 PolarHBondContact O-N 3.37Å; V364-F366 VanDerWaalsContact C-N 3.31Å; V364-F366 PolarHBondContact O-N 3.06Å; F366-L368 PolarHBondContact O-N 3.49Å; F366-C369 WeakPolarHBondContact O-CB 3.41Å; F366-C369 PolarHBondContact O-N 2.96Å; F366-I370 HydrophobicContact CD1-CD1 3.95Å; F366-I370 HydrophobicContact CE1-CD1 3.38Å; F366-I370 HydrophobicContact CE1-CG1 4.34Å; F366-I370 HydrophobicContact CE2-CD1 4.4Å; F366-I370 HydrophobicContact CZ-CD1 3.65Å; F366-I370 HydrophobicContact CZ-CG1 4.31Å; F366-I370 PolarHBondContact O-N 2.95Å; F366-F410 HydrophobicContact CB-CB 3.84Å; F366-F410 HydrophobicContact CB-CD1 4.23Å; F366-F410 HydrophobicContact CB-CG 3.99Å; F366-F410 AromaticContact CD1-CD1 3.42Å; F366-F410 HydrophobicContact CD1-CD1 3.42Å; F366-F410 VanDerWaalsContact CD1-CD1 3.42Å; F366-F410 AromaticContact CD1-CE1 3.67Å; F366-F410 HydrophobicContact CD1-CE1 3.67Å; F366-F410 HydrophobicContact CD1-CG 4.02Å; F366-F410 HydrophobicContact CD1-CZ 4.46Å; F366-F410 HydrophobicContact CD2-CB 3.88Å; F366-F410 AromaticContact CD2-CD1 3.72Å; F366-F410 HydrophobicContact CD2-CD1 3.72Å; F366-F410 HydrophobicContact CD2-CG 4.12Å; F366-F410 AromaticContact CE1-CD1 3.53Å; F366-F410 HydrophobicContact CE1-CD1 3.53Å; F366-F410 AromaticContact CE1-CE1 3.55Å; F366-F410 HydrophobicContact CE1-CE1 3.55Å; F366-F410 AromaticContact CE2-CD1 3.83Å; F366-F410 HydrophobicContact CE2-CD1 3.83Å; F366-F410 HydrophobicContact CG-CB 3.86Å; F366-F410 AromaticContact CG-CD1 3.51Å; F366-F410 HydrophobicContact CG-CD1 3.51Å; F366-F410 HydrophobicContact CG-CE1 4.24Å; F366-F410 AromaticContact CG-CG 3.78Å; F366-F410 HydrophobicContact CG-CG 3.78Å; F366-F410 AromaticContact CZ-CD1 3.73Å; F366-F410 HydrophobicContact CZ-CD1 3.73Å; F366-F410 HydrophobicContact CZ-CE1 4.04Å; F366-I411 HydrophobicContact CE2-CD1 4.36Å; F366-I411 HydrophobicContact CE2-CG1 4Å
367	C	91.3	Very high	88.4	Confident	63 Å²	63	44.4 Å²	44.4	43%	0.426	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-43.9	174.2	-65.9	0	0	0	0	112.2	I363 V364 C369 I370 N371	I363-C367 PolarHBondContact O-N 3.2Å; I363-C367 PolarHBondContact O-SG 3.49Å; I363-C367 VanDerWaalsContact O-SG 3.35Å; V364-C367 PolarHBondContact O-N 3.35Å; C367-C369 VanDerWaalsContact C-N 3.33Å; C367-C369 PolarHBondContact O-N 3.22Å; C367-I370 PolarHBondContact O-N 2.99Å; C367-N371 PolarHBondContact O-N 3.44Å; C367-N371 PolarHBondContact O-ND2 3.49Å
368	L	90.2	Very high	88.2	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-42	174.9	-71.2	173.5	0	0	0	111.6	L292 L296 H299 V364 N365 F366 I370 N371 I372	L292-L368 HydrophobicContact CD1-CD1 3.56Å; L296-L368 HydrophobicContact CD2-CD1 3.77Å; L296-L368 HydrophobicContact CD2-CD2 4.01Å; L296-L368 HydrophobicContact CG-CD1 3.91Å; H299-L368 HydrophobicContact CB-CD2 4.26Å; V364-L368 HydrophobicContact CG1-CD1 4.18Å; V364-L368 HydrophobicContact CG1-CG 4.45Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.42Å; N365-L368 PolarHBondContact O-N 2.84Å; F366-L368 PolarHBondContact O-N 3.49Å; L368-I370 PolarHBondContact O-N 2.94Å; L368-N371 PolarHBondContact O-N 3.41Å; L368-I372 WeakPolarHBondContact O-CB 3.38Å; L368-I372 WeakPolarHBondContact O-CD1 2.97Å; L368-I372 VanDerWaalsContact O-CG1 3.24Å; L368-I372 WeakPolarHBondContact O-CG1 3.11Å; L368-I372 PolarHBondContact O-N 2.97Å
369	C	89.4	Confident	88	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.027	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-47.7	176.1	-175.6	0	0	0	0	111.3	N365 F366 C367 N371 I372 C373 I402 L405	N365-C369 VanDerWaalsContact O-CB 3.31Å; N365-C369 WeakPolarHBondContact O-CB 3.43Å; N365-C369 PolarHBondContact O-N 3.45Å; F366-C369 WeakPolarHBondContact O-CB 3.41Å; F366-C369 PolarHBondContact O-N 2.96Å; C367-C369 VanDerWaalsContact C-N 3.33Å; C367-C369 PolarHBondContact O-N 3.22Å; C369-N371 PolarHBondContact O-N 3.33Å; C369-I372 PolarHBondContact O-N 2.88Å; C369-C373 VanDerWaalsContact O-CB 3.27Å; C369-C373 WeakPolarHBondContact O-CB 3.36Å; C369-C373 PolarHBondContact O-N 3.42Å; C369-C373 PolarHBondContact O-SG 2.95Å; C369-I402 WeakPolarHBondContact SG-CG1 3.06Å; C369-L405 HydrophobicContact CB-CD1 4.18Å
370	I	88.2	Confident	87.8	Confident	88 Å²	88	50 Å²	50	45%	0.451	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-47	176.7	-68.7	174	0	0	0	110.9	F366 C367 L368 I372 C373 R374	F366-I370 HydrophobicContact CD1-CD1 3.95Å; F366-I370 HydrophobicContact CE1-CD1 3.38Å; F366-I370 HydrophobicContact CE1-CG1 4.34Å; F366-I370 HydrophobicContact CE2-CD1 4.4Å; F366-I370 HydrophobicContact CZ-CD1 3.65Å; F366-I370 HydrophobicContact CZ-CG1 4.31Å; F366-I370 PolarHBondContact O-N 2.95Å; C367-I370 PolarHBondContact O-N 2.99Å; L368-I370 PolarHBondContact O-N 2.94Å; I370-I372 PolarHBondContact O-N 3.15Å; I370-C373 PolarHBondContact O-N 3.14Å; I370-R374 WeakPolarHBondContact O-CB 3.33Å; I370-R374 PolarHBondContact O-N 3.44Å
371	N	88.8	Confident	87.4	Confident	54 Å²	54	52.2 Å²	52.2	29%	0.289	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-43.5	-178.8	-73.3	-20.2	0	0	0	112.3	C367 L368 C369 R374 E375	C367-N371 PolarHBondContact O-N 3.44Å; C367-N371 PolarHBondContact O-ND2 3.49Å; L368-N371 PolarHBondContact O-N 3.41Å; C369-N371 PolarHBondContact O-N 3.33Å; N371-R374 PolarHBondContact O-N 2.68Å; N371-E375 WeakPolarHBondContact O-CB 3.16Å; N371-E375 PolarHBondContact O-N 3.29Å
372	I	87.6	Confident	86.9	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.041	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-42.9	177.2	-67.6	163.6	0	0	0	110.6	L298 H299 L368 C369 I370 E375 L376 V401 L405	L298-I372 HydrophobicContact CB-CD1 4.41Å; L298-I372 HydrophobicContact CD2-CD1 4.2Å; L298-I372 HydrophobicContact CD2-CG2 3.99Å; L298-I372 HydrophobicContact CG-CD1 4.33Å; L298-I372 HydrophobicContact CG-CG2 4.48Å; H299-I372 HydrophobicContact CB-CD1 4.3Å; H299-I372 HydrophobicContact CB-CG1 4.3Å; L368-I372 WeakPolarHBondContact O-CB 3.38Å; L368-I372 WeakPolarHBondContact O-CD1 2.97Å; L368-I372 VanDerWaalsContact O-CG1 3.24Å; L368-I372 WeakPolarHBondContact O-CG1 3.11Å; L368-I372 PolarHBondContact O-N 2.97Å; C369-I372 PolarHBondContact O-N 2.88Å; I370-I372 PolarHBondContact O-N 3.15Å; I372-E375 PolarHBondContact O-N 2.8Å; I372-L376 VanDerWaalsContact O-CB 3.28Å; I372-L376 WeakPolarHBondContact O-CB 3.28Å; I372-L376 PolarHBondContact O-N 3.18Å; I372-V401 HydrophobicContact CG2-CG1 4.24Å; I372-L405 HydrophobicContact CD1-CD1 3.76Å
373	C	86.2	Confident	86.6	Confident	17 Å²	17	60.2 Å²	60.2	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-43	176.7	-72.6	0	0	0	0	111.9	C369 I370 E375 L376 F377 T398	C369-C373 VanDerWaalsContact O-CB 3.27Å; C369-C373 WeakPolarHBondContact O-CB 3.36Å; C369-C373 PolarHBondContact O-N 3.42Å; C369-C373 PolarHBondContact O-SG 2.95Å; I370-C373 PolarHBondContact O-N 3.14Å; C373-E375 VanDerWaalsContact C-N 3.33Å; C373-E375 PolarHBondContact O-N 2.86Å; C373-L376 PolarHBondContact O-N 2.9Å; C373-F377 VanDerWaalsContact O-CB 3.29Å; C373-F377 WeakPolarHBondContact O-CB 3.45Å; C373-F377 PolarHBondContact O-N 3.16Å; C373-T398 HydrophobicContact CB-CG2 4.43Å
374	R	87.5	Confident	86.2	Confident	144 Å²	144	66.1 Å²	66.1	54%	0.543	32%	0.316	S	S	.	.	H	α-helix	trans	-57.5	-48.1	174.5	-176.8	-172	73.1	-166.3	0.8	110.6	I370 N371 F377 M378	I370-R374 WeakPolarHBondContact O-CB 3.33Å; I370-R374 PolarHBondContact O-N 3.44Å; N371-R374 PolarHBondContact O-N 2.68Å; R374-F377 WeakPolarHBondContact O-CB 3.27Å; R374-F377 PolarHBondContact O-N 3.04Å; R374-M378 VanDerWaalsContact O-CG 3.29Å; R374-M378 WeakPolarHBondContact O-CG 3.4Å; R374-M378 PolarHBondContact O-N 2.95Å
375	E	85.3	Confident	85.6	Confident	53 Å²	53	65.1 Å²	65.1	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-40.7	-176.8	-173.5	51.6	-147.2	0	0	112.6	V302 N371 I372 C373 F377 M378 K379	V302-E375 HydrophobicContact CG1-CB 4.05Å; V302-E375 HydrophobicContact CG1-CG 3.17Å; N371-E375 WeakPolarHBondContact O-CB 3.16Å; N371-E375 PolarHBondContact O-N 3.29Å; I372-E375 PolarHBondContact O-N 2.8Å; C373-E375 VanDerWaalsContact C-N 3.33Å; C373-E375 PolarHBondContact O-N 2.86Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.46Å; E375-M378 PolarHBondContact O-N 3.22Å; E375-K379 PolarHBondContact O-N 3.4Å; E375-K379 WeakPolarHBondContact OE1-CE 3.1Å
376	L	84.8	Confident	85.2	Confident	49 Å²	49	73 Å²	73	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-40	172.3	177.6	65.2	0	0	0	111.4	I372 C373 L380 S397	I372-L376 VanDerWaalsContact O-CB 3.28Å; I372-L376 WeakPolarHBondContact O-CB 3.28Å; I372-L376 PolarHBondContact O-N 3.18Å; C373-L376 PolarHBondContact O-N 2.9Å; L376-L380 VanDerWaalsContact O-CB 3.24Å; L376-L380 WeakPolarHBondContact O-CB 3.23Å; L376-L380 PolarHBondContact O-N 3.47Å; L376-S397 WeakPolarHBondContact CD2-OG 3.35Å
377	F	83.6	Confident	84.9	Confident	83 Å²	83	75.6 Å²	75.6	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-45.7	174.8	177.6	-108.7	0	0	0	111.6	C373 R374 E375 L380 R381 L394	C373-F377 VanDerWaalsContact O-CB 3.29Å; C373-F377 WeakPolarHBondContact O-CB 3.45Å; C373-F377 PolarHBondContact O-N 3.16Å; R374-F377 WeakPolarHBondContact O-CB 3.27Å; R374-F377 PolarHBondContact O-N 3.04Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.46Å; F377-L380 PolarHBondContact O-N 2.98Å; F377-R381 WeakPolarHBondContact O-CB 3.34Å; F377-R381 PolarHBondContact O-N 3.16Å; F377-L394 HydrophobicContact CB-CD1 4Å; F377-L394 HydrophobicContact CD2-CD1 3.92Å; F377-L394 HydrophobicContact CD2-CD2 3.36Å; F377-L394 HydrophobicContact CD2-CG 4.26Å; F377-L394 HydrophobicContact CE2-CD2 3.77Å; F377-L394 HydrophobicContact CG-CD1 4.49Å; F377-L394 HydrophobicContact CG-CD2 4.49Å
378	M	85.3	Confident	84.3	Confident	62 Å²	62	78.1 Å²	78.1	31%	0.305	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-49.5	177.6	-67.4	-62.1	-68.8	0	0	111.7	R374 E375 L380 R381 E382	R374-M378 VanDerWaalsContact O-CG 3.29Å; R374-M378 WeakPolarHBondContact O-CG 3.4Å; R374-M378 PolarHBondContact O-N 2.95Å; E375-M378 PolarHBondContact O-N 3.22Å; M378-L380 VanDerWaalsContact C-N 3.32Å; M378-L380 PolarHBondContact O-N 3.48Å; M378-R381 VanDerWaalsContact CE-NH2 3.32Å; M378-R381 WeakPolarHBondContact O-CB 3.39Å; M378-R381 PolarHBondContact O-N 3Å; M378-R381 VanDerWaalsContact O-N 3.15Å; M378-E382 PolarHBondContact O-N 3.26Å
379	K	83.3	Confident	83.9	Confident	100 Å²	100	82.7 Å²	82.7	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-36.8	177.2	-69.6	-175.4	-177.2	-176.6	0	113	E375 R381 E382 S383	E375-K379 PolarHBondContact O-N 3.4Å; E375-K379 WeakPolarHBondContact OE1-CE 3.1Å; K379-R381 VanDerWaalsContact C-N 3.35Å; K379-E382 PolarHBondContact O-N 3.49Å; K379-S383 PolarHBondContact O-N 3.47Å
380	L	81.3	Confident	83.3	Confident	18 Å²	18	85.1 Å²	85.1	9%	0.094	40%	0.397	C	S	.	.	H	α-helix	trans	-73.8	-29.8	177.7	-166.1	72.2	0	0	0	111.9	L376 F377 M378 E382 S383 L385 R390 K393 L394	L376-L380 VanDerWaalsContact O-CB 3.24Å; L376-L380 WeakPolarHBondContact O-CB 3.23Å; L376-L380 PolarHBondContact O-N 3.47Å; F377-L380 PolarHBondContact O-N 2.98Å; M378-L380 VanDerWaalsContact C-N 3.32Å; M378-L380 PolarHBondContact O-N 3.48Å; L380-E382 VanDerWaalsContact C-N 3.25Å; L380-E382 PolarHBondContact O-N 2.9Å; L380-S383 WeakPolarHBondContact O-CB 3.41Å; L380-S383 PolarHBondContact O-N 3.24Å; L380-S383 VanDerWaalsContact O-N 3.13Å; L380-S383 PolarHBondContact O-OG 2.93Å; L380-L385 HydrophobicContact CD1-CD1 3.87Å; L380-R390 HydrophobicContact CD2-CG 3.93Å; L380-R390 WeakPolarHBondContact CD2-O 3.46Å; L380-R390 HydrophobicContact CG-CG 3.74Å; L380-K393 HydrophobicContact CD1-CD 4.04Å; L380-K393 HydrophobicContact CD1-CG 4.39Å; L380-L394 HydrophobicContact CD2-CB 3.54Å; L380-L394 HydrophobicContact CD2-CD1 4.1Å; L380-L394 HydrophobicContact CD2-CG 4.39Å
381	R	80.8	Confident	82.8	Confident	136 Å²	136	87.8 Å²	87.8	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-33	173.5	-168.3	177	73.6	176.4	5.8	112.1	F377 M378 K379 S383 R390	F377-R381 WeakPolarHBondContact O-CB 3.34Å; F377-R381 PolarHBondContact O-N 3.16Å; M378-R381 VanDerWaalsContact CE-NH2 3.32Å; M378-R381 WeakPolarHBondContact O-CB 3.39Å; M378-R381 PolarHBondContact O-N 3Å; M378-R381 VanDerWaalsContact O-N 3.15Å; K379-R381 VanDerWaalsContact C-N 3.35Å; R381-S383 VanDerWaalsContact C-N 3.29Å; R381-R390 PolarHBondContact O-NH1 3.23Å
382	E	82.3	Confident	82.4	Confident	148 Å²	148	91.8 Å²	91.8	69%	0.692	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.3	174.6	-67.5	175.4	179.5	0	0	113.3	M378 K379 L380	M378-E382 PolarHBondContact O-N 3.26Å; K379-E382 PolarHBondContact O-N 3.49Å; L380-E382 VanDerWaalsContact C-N 3.25Å; L380-E382 PolarHBondContact O-N 2.9Å
383	S	80.5	Confident	82	Confident	34 Å²	34	97.4 Å²	97.4	24%	0.238	44%	0.441	C	S	.	.	S	Bend	trans	-72.9	140.9	179.2	74.8	0	0	0	0	112.3	K379 L380 R381 L385 R390	K379-S383 PolarHBondContact O-N 3.47Å; L380-S383 WeakPolarHBondContact O-CB 3.41Å; L380-S383 PolarHBondContact O-N 3.24Å; L380-S383 VanDerWaalsContact O-N 3.13Å; L380-S383 PolarHBondContact O-OG 2.93Å; R381-S383 VanDerWaalsContact C-N 3.29Å; S383-L385 PolarHBondContact O-N 3.46Å; S383-L385 WeakPolarHBondContact OG-CD1 3.49Å; S383-R390 PolarHBondContact O-NH2 3.38Å
384	H	81.5	Confident	81.6	Confident	200 Å²	200	97.8 Å²	97.8	93%	0.926	44%	0.442	S	S	*	.			trans	-70.1	22.5	176.9	-61.2	-74	0	0	0	114.5
385	L	79.6	Confident	80.9	Confident	39 Å²	39	93.9 Å²	93.9	20%	0.204	44%	0.44	C	S	.	.			trans	-74.3	144.7	178.7	-69	172	0	0	0	111.1	L380 S383 E389 R390 K393	L380-L385 HydrophobicContact CD1-CD1 3.87Å; S383-L385 PolarHBondContact O-N 3.46Å; S383-L385 WeakPolarHBondContact OG-CD1 3.49Å; L385-E389 HydrophobicContact CD2-CG 4.35Å; L385-R390 HydrophobicContact CB-CB 4.1Å; L385-R390 PolarHBondContact O-NE 2.87Å; L385-R390 PolarHBondContact O-NH2 2.96Å; L385-K393 HydrophobicContact CD1-CD 3.96Å
386	K	83.1	Confident	80.7	Confident	170 Å²	170	98.3 Å²	98.3	74%	0.739	46%	0.459	S	S	*	.			trans	-58.1	145.5	168.5	-66.1	-177.1	179	-178.3	0	110.1	L388 E389 R390	K386-L388 VanDerWaalsContact C-N 3.31Å; K386-L388 PolarHBondContact O-N 2.78Å; K386-E389 PolarHBondContact O-N 3.46Å; K386-R390 WeakPolarHBondContact O-CB 3.44Å; K386-R390 PolarHBondContact O-N 3.1Å
387	D	82.3	Confident	80.4	Confident	101 Å²	101	97.9 Å²	97.9	54%	0.54	46%	0.46	S	S	.	.	H	α-helix	trans	-52.7	-45.9	-173.3	-62.8	-31.2	0	0	0	113	E389 R390 Y391	D387-E389 PolarHBondContact O-N 2.81Å; D387-R390 WeakPolarHBondContact O-CB 3.33Å; D387-R390 PolarHBondContact O-N 3.28Å; D387-R390 IonicContact OD1-CZ 3.9Å; D387-R390 IonicContact OD1-NH2 3.8Å; D387-Y391 HydrophobicContact CB-CD2 4.36Å; D387-Y391 HydrophobicContact CB-CE2 4.23Å; D387-Y391 WeakPolarHBondContact O-CD2 3.27Å; D387-Y391 PolarHBondContact O-N 2.98Å
388	L	79.3	Confident	80.2	Confident	116 Å²	116	95.5 Å²	95.5	61%	0.607	45%	0.452	S	S	*	.	H	α-helix	trans	-62.9	-40.7	179	-175.7	63.7	0	0	0	113.2	K386 K392	K386-L388 VanDerWaalsContact C-N 3.31Å; K386-L388 PolarHBondContact O-N 2.78Å; L388-K392 HydrophobicContact CG-CD 4.3Å; L388-K392 WeakPolarHBondContact O-CB 2.85Å; L388-K392 VanDerWaalsContact O-CG 3.27Å; L388-K392 WeakPolarHBondContact O-CG 3.18Å; L388-K392 PolarHBondContact O-N 3.5Å
389	E	81.7	Confident	80	Confident	112 Å²	112	95.8 Å²	95.8	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-72	-37.1	179	-171.3	171.2	-174.2	0	0	111.1	L385 K386 D387 K392 K393	L385-E389 HydrophobicContact CD2-CG 4.35Å; K386-E389 PolarHBondContact O-N 3.46Å; D387-E389 PolarHBondContact O-N 2.81Å; E389-K392 PolarHBondContact O-N 3.32Å; E389-K393 VanDerWaalsContact O-CB 3.26Å; E389-K393 WeakPolarHBondContact O-CB 3.33Å; E389-K393 PolarHBondContact O-N 3.18Å
390	R	77.3	Confident	79.9	Confident	56 Å²	56	93.7 Å²	93.7	21%	0.211	45%	0.453	C	S	.	.	H	α-helix	trans	-58.4	-53.9	172	-162.1	-171	-55.6	-156	0.9	110.7	L380 R381 S383 L385 K386 D387 K392 K393 L394	L380-R390 HydrophobicContact CD2-CG 3.93Å; L380-R390 WeakPolarHBondContact CD2-O 3.46Å; L380-R390 HydrophobicContact CG-CG 3.74Å; R381-R390 PolarHBondContact O-NH1 3.23Å; S383-R390 PolarHBondContact O-NH2 3.38Å; L385-R390 HydrophobicContact CB-CB 4.1Å; L385-R390 PolarHBondContact O-NE 2.87Å; L385-R390 PolarHBondContact O-NH2 2.96Å; K386-R390 WeakPolarHBondContact O-CB 3.44Å; K386-R390 PolarHBondContact O-N 3.1Å; D387-R390 WeakPolarHBondContact O-CB 3.33Å; D387-R390 PolarHBondContact O-N 3.28Å; D387-R390 IonicContact OD1-CZ 3.9Å; D387-R390 IonicContact OD1-NH2 3.8Å; R390-K392 PolarHBondContact O-N 3.48Å; R390-K393 PolarHBondContact O-N 3.1Å; R390-L394 WeakPolarHBondContact O-CB 3.24Å; R390-L394 PolarHBondContact O-N 3.38Å
391	Y	77	Confident	79.9	Confident	143 Å²	143	94 Å²	94	56%	0.561	46%	0.455	S	S	*	.	H	α-helix	trans	-62.9	-42.1	178.6	-75.7	-63.8	0	0	0	112.7	D387 K393 L394 A395	D387-Y391 HydrophobicContact CB-CD2 4.36Å; D387-Y391 HydrophobicContact CB-CE2 4.23Å; D387-Y391 WeakPolarHBondContact O-CD2 3.27Å; D387-Y391 PolarHBondContact O-N 2.98Å; Y391-K393 PolarHBondContact O-N 3.36Å; Y391-L394 WeakPolarHBondContact O-CB 3.46Å; Y391-L394 PolarHBondContact O-N 2.94Å; Y391-A395 WeakPolarHBondContact O-CB 3.44Å; Y391-A395 PolarHBondContact O-N 2.82Å
392	K	79.8	Confident	79.9	Confident	138 Å²	138	89.8 Å²	89.8	60%	0.6	44%	0.443	S	S	*	.	H	α-helix	trans	-61.6	-43.2	176.1	-77.2	176.9	179.2	179.8	0	112.2	L388 E389 R390 K396	L388-K392 HydrophobicContact CG-CD 4.3Å; L388-K392 WeakPolarHBondContact O-CB 2.85Å; L388-K392 VanDerWaalsContact O-CG 3.27Å; L388-K392 WeakPolarHBondContact O-CG 3.18Å; L388-K392 PolarHBondContact O-N 3.5Å; E389-K392 PolarHBondContact O-N 3.32Å; R390-K392 PolarHBondContact O-N 3.48Å; K392-K396 VanDerWaalsContact O-CB 3.28Å; K392-K396 WeakPolarHBondContact O-CB 3.39Å; K392-K396 PolarHBondContact O-N 3.49Å; K392-K396 VanDerWaalsContact O-N 3.09Å
393	K	80.1	Confident	79.8	Confident	127 Å²	127	84.2 Å²	84.2	55%	0.552	42%	0.417	S	S	*	.	H	α-helix	trans	-68	-39.6	178.5	-171.2	171.6	178.6	-176.4	0	111.5	L380 L385 E389 R390 Y391 S397	L380-K393 HydrophobicContact CD1-CD 4.04Å; L380-K393 HydrophobicContact CD1-CG 4.39Å; L385-K393 HydrophobicContact CD1-CD 3.96Å; E389-K393 VanDerWaalsContact O-CB 3.26Å; E389-K393 WeakPolarHBondContact O-CB 3.33Å; E389-K393 PolarHBondContact O-N 3.18Å; R390-K393 PolarHBondContact O-N 3.1Å; Y391-K393 PolarHBondContact O-N 3.36Å; K393-S397 WeakPolarHBondContact O-CB 3.46Å; K393-S397 PolarHBondContact O-N 3.47Å
394	L	76.7	Confident	79.7	Confident	24 Å²	24	82.8 Å²	82.8	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-60.5	-59.4	173.2	-176.3	68.8	0	0	0	111.2	F377 L380 R390 Y391 K396 S397 T398	F377-L394 HydrophobicContact CB-CD1 4Å; F377-L394 HydrophobicContact CD2-CD1 3.92Å; F377-L394 HydrophobicContact CD2-CD2 3.36Å; F377-L394 HydrophobicContact CD2-CG 4.26Å; F377-L394 HydrophobicContact CE2-CD2 3.77Å; F377-L394 HydrophobicContact CG-CD1 4.49Å; F377-L394 HydrophobicContact CG-CD2 4.49Å; L380-L394 HydrophobicContact CD2-CB 3.54Å; L380-L394 HydrophobicContact CD2-CD1 4.1Å; L380-L394 HydrophobicContact CD2-CG 4.39Å; R390-L394 WeakPolarHBondContact O-CB 3.24Å; R390-L394 PolarHBondContact O-N 3.38Å; Y391-L394 WeakPolarHBondContact O-CB 3.46Å; Y391-L394 PolarHBondContact O-N 2.94Å; L394-K396 PolarHBondContact O-N 3.21Å; L394-S397 CarbonylContact O-C 3.56Å; L394-S397 PolarHBondContact O-N 3.22Å; L394-T398 WeakPolarHBondContact O-CB 3.23Å; L394-T398 PolarHBondContact O-N 3.44Å; L394-T398 PolarHBondContact O-OG1 3.47Å; L394-T398 VanDerWaalsContact O-OG1 3.1Å
395	A	74.3	Confident	79.9	Confident	62 Å²	62	73.4 Å²	73.4	51%	0.512	36%	0.364	S	S	.	.	H	α-helix	trans	-56.7	-42.4	-175.1	0	0	0	0	0	111.1	Y391 C399	Y391-A395 WeakPolarHBondContact O-CB 3.44Å; Y391-A395 PolarHBondContact O-N 2.82Å; A395-C399 WeakPolarHBondContact O-CB 3.17Å; A395-C399 PolarHBondContact O-N 3.45Å
396	K	80.9	Confident	79.9	Confident	146 Å²	146	71.7 Å²	71.7	64%	0.635	36%	0.355	S	S	*	.	H	α-helix	trans	-58.8	-52.8	173	-177.6	176.8	179.2	179.2	0	111	K392 L394 L400	K392-K396 VanDerWaalsContact O-CB 3.28Å; K392-K396 WeakPolarHBondContact O-CB 3.39Å; K392-K396 PolarHBondContact O-N 3.49Å; K392-K396 VanDerWaalsContact O-N 3.09Å; L394-K396 PolarHBondContact O-N 3.21Å; K396-L400 HydrophobicContact CG-CD1 3.82Å; K396-L400 WeakPolarHBondContact O-CB 3.17Å; K396-L400 VanDerWaalsContact O-CD1 3.32Å; K396-L400 WeakPolarHBondContact O-CD1 3.44Å; K396-L400 WeakPolarHBondContact O-CG 3.39Å; K396-L400 PolarHBondContact O-N 3.05Å; K396-L400 VanDerWaalsContact O-N 3.12Å
397	S	78	Confident	79.8	Confident	41 Å²	41	63.6 Å²	63.6	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-41.8	-176.9	-164.7	0	0	0	0	112.6	L376 K393 L394 L400 V401	L376-S397 WeakPolarHBondContact CD2-OG 3.35Å; K393-S397 WeakPolarHBondContact O-CB 3.46Å; K393-S397 PolarHBondContact O-N 3.47Å; L394-S397 CarbonylContact O-C 3.56Å; L394-S397 PolarHBondContact O-N 3.22Å; S397-L400 PolarHBondContact O-N 3.37Å; S397-V401 WeakPolarHBondContact O-CB 3.36Å; S397-V401 WeakPolarHBondContact O-CG2 3.28Å; S397-V401 PolarHBondContact O-N 3.43Å
398	T	79.1	Confident	79.8	Confident	32 Å²	32	59.3 Å²	59.3	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-48.6	177.9	-62.7	0	0	0	0	111.6	C373 L394 L400 V401 I402	C373-T398 HydrophobicContact CB-CG2 4.43Å; L394-T398 WeakPolarHBondContact O-CB 3.23Å; L394-T398 PolarHBondContact O-N 3.44Å; L394-T398 PolarHBondContact O-OG1 3.47Å; L394-T398 VanDerWaalsContact O-OG1 3.1Å; T398-L400 VanDerWaalsContact C-N 3.32Å; T398-L400 PolarHBondContact O-N 3Å; T398-V401 PolarHBondContact O-N 3.42Å; T398-I402 HydrophobicContact CG2-CD1 3.8Å; T398-I402 HydrophobicContact CG2-CG1 4.49Å; T398-I402 VanDerWaalsContact O-CG1 3.28Å; T398-I402 WeakPolarHBondContact O-CG1 3.05Å; T398-I402 PolarHBondContact O-N 3.48Å
399	C	81.6	Confident	79.9	Confident	69 Å²	69	53.9 Å²	53.9	47%	0.466	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-43.4	177.3	-178.7	0	0	0	0	111.4	A395 V401 I402 I403	A395-C399 WeakPolarHBondContact O-CB 3.17Å; A395-C399 PolarHBondContact O-N 3.45Å; C399-V401 PolarHBondContact O-N 2.87Å; C399-I402 PolarHBondContact O-N 2.97Å; C399-I403 VanDerWaalsContact O-CG1 3.3Å; C399-I403 WeakPolarHBondContact O-CG1 3.38Å; C399-I403 PolarHBondContact O-N 3.15Å
400	L	80.3	Confident	79.9	Confident	56 Å²	56	50.8 Å²	50.8	29%	0.293	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-42.5	176.8	-64.9	169.1	0	0	0	111.7	K396 S397 T398 I403 V404 I449	K396-L400 HydrophobicContact CG-CD1 3.82Å; K396-L400 WeakPolarHBondContact O-CB 3.17Å; K396-L400 VanDerWaalsContact O-CD1 3.32Å; K396-L400 WeakPolarHBondContact O-CD1 3.44Å; K396-L400 WeakPolarHBondContact O-CG 3.39Å; K396-L400 PolarHBondContact O-N 3.05Å; K396-L400 VanDerWaalsContact O-N 3.12Å; S397-L400 PolarHBondContact O-N 3.37Å; T398-L400 VanDerWaalsContact C-N 3.32Å; T398-L400 PolarHBondContact O-N 3Å; L400-I403 PolarHBondContact O-N 2.98Å; L400-V404 WeakPolarHBondContact O-CB 3.2Å; L400-V404 WeakPolarHBondContact O-CG2 3.24Å; L400-V404 PolarHBondContact O-N 3.24Å; L400-I449 HydrophobicContact CB-CD1 4.06Å; L400-I449 HydrophobicContact CD2-CD1 3.48Å; L400-I449 VanDerWaalsContact CD2-CD1 3.48Å; L400-I449 HydrophobicContact CD2-CG1 3.82Å; L400-I449 HydrophobicContact CG-CD1 4.23Å
401	V	80.8	Confident	79.9	Confident	23 Å²	23	52.3 Å²	52.3	14%	0.139	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-43.4	177	170.3	0	0	0	0	111.3	I372 S397 T398 C399 I403 V404 L405	I372-V401 HydrophobicContact CG2-CG1 4.24Å; S397-V401 WeakPolarHBondContact O-CB 3.36Å; S397-V401 WeakPolarHBondContact O-CG2 3.28Å; S397-V401 PolarHBondContact O-N 3.43Å; T398-V401 PolarHBondContact O-N 3.42Å; C399-V401 PolarHBondContact O-N 2.87Å; V401-I403 VanDerWaalsContact C-N 3.31Å; V401-I403 PolarHBondContact O-N 3.02Å; V401-V404 PolarHBondContact O-N 2.88Å; V401-L405 HydrophobicContact CG1-CD1 3.69Å; V401-L405 HydrophobicContact CG1-CG 4.19Å; V401-L405 WeakPolarHBondContact O-CB 3.4Å; V401-L405 WeakPolarHBondContact O-CG 3.39Å; V401-L405 PolarHBondContact O-N 2.85Å
402	I	81.8	Confident	79.8	Confident	49 Å²	49	47.8 Å²	47.8	25%	0.251	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-42.4	176.9	-69.3	165.1	0	0	0	111.1	C369 T398 C399 G406 G407	C369-I402 WeakPolarHBondContact SG-CG1 3.06Å; T398-I402 HydrophobicContact CG2-CD1 3.8Å; T398-I402 HydrophobicContact CG2-CG1 4.49Å; T398-I402 VanDerWaalsContact O-CG1 3.28Å; T398-I402 WeakPolarHBondContact O-CG1 3.05Å; T398-I402 PolarHBondContact O-N 3.48Å; C399-I402 PolarHBondContact O-N 2.97Å; I402-G406 CarbonylContact O-C 3.52Å; I402-G406 PolarHBondContact O-N 2.88Å; I402-G407 PolarHBondContact O-N 3.47Å
403	I	80.2	Confident	79.3	Confident	30 Å²	30	41.4 Å²	41.4	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-45.3	178.4	-69.4	169.3	0	0	0	111.2	C399 L400 V401 G406 Q442 L445	C399-I403 VanDerWaalsContact O-CG1 3.3Å; C399-I403 WeakPolarHBondContact O-CG1 3.38Å; C399-I403 PolarHBondContact O-N 3.15Å; L400-I403 PolarHBondContact O-N 2.98Å; V401-I403 VanDerWaalsContact C-N 3.31Å; V401-I403 PolarHBondContact O-N 3.02Å; I403-G406 PolarHBondContact O-N 3.47Å; I403-Q442 PolarHBondContact O-NE2 2.77Å; I403-L445 HydrophobicContact CD1-CD1 4.4Å; I403-L445 HydrophobicContact CG2-CB 4.13Å; I403-L445 HydrophobicContact CG2-CD1 3.56Å; I403-L445 HydrophobicContact CG2-CG 4.48Å
404	V	79.1	Confident	78.8	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-67.6	-47.7	-176.2	169.5	0	0	0	0	111.4	E294 L400 V401 G406 Q442 V446 I449 Y450	E294-V404 VanDerWaalsContact OE1-CG1 3.3Å; E294-V404 WeakPolarHBondContact OE1-CG1 3.49Å; L400-V404 WeakPolarHBondContact O-CB 3.2Å; L400-V404 WeakPolarHBondContact O-CG2 3.24Å; L400-V404 PolarHBondContact O-N 3.24Å; V401-V404 PolarHBondContact O-N 2.88Å; V404-G406 PolarHBondContact O-N 3.32Å; V404-Q442 PolarHBondContact O-NE2 3.16Å; V404-V446 HydrophobicContact CG1-CG2 4.4Å; V404-V446 HydrophobicContact CG2-CG2 4.11Å; V404-I449 HydrophobicContact CG2-CD1 3.59Å; V404-Y450 HydrophobicContact CG1-CE2 3.87Å
405	L	83.9	Confident	78.3	Confident	4 Å²	4	39 Å²	39	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.6	179.7	-62.4	-176.7	0	0	0	113.5	C369 I372 V401 G407	C369-L405 HydrophobicContact CB-CD1 4.18Å; I372-L405 HydrophobicContact CD1-CD1 3.76Å; V401-L405 HydrophobicContact CG1-CD1 3.69Å; V401-L405 HydrophobicContact CG1-CG 4.19Å; V401-L405 WeakPolarHBondContact O-CB 3.4Å; V401-L405 WeakPolarHBondContact O-CG 3.39Å; V401-L405 PolarHBondContact O-N 2.85Å; L405-G407 VanDerWaalsContact C-N 3.34Å
406	G	80.6	Confident	77.8	Confident	2 Å²	2	37 Å²	37	2%	0.021	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	24.3	-179.6	0	0	0	0	0	113.8	I402 I403 V404 Y408 Y409	I402-G406 CarbonylContact O-C 3.52Å; I402-G406 PolarHBondContact O-N 2.88Å; I403-G406 PolarHBondContact O-N 3.47Å; V404-G406 PolarHBondContact O-N 3.32Å; G406-Y408 PolarHBondContact O-N 3.24Å; G406-Y408 VanDerWaalsContact O-N 3.15Å; G406-Y409 WeakPolarHBondContact O-CB 3.32Å; G406-Y409 VanDerWaalsContact O-CD2 3.24Å; G406-Y409 WeakPolarHBondContact O-CD2 3.45Å; G406-Y409 PolarHBondContact O-N 3.01Å
407	G	80.6	Confident	77	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-26.9	177	0	0	0	0	0	113	I402 L405 Y409 F410 I411	I402-G407 PolarHBondContact O-N 3.47Å; L405-G407 VanDerWaalsContact C-N 3.34Å; G407-Y409 VanDerWaalsContact C-N 3.27Å; G407-Y409 PolarHBondContact O-N 2.8Å; G407-F410 PolarHBondContact O-N 3.47Å; G407-I411 PolarHBondContact O-N 3.31Å
408	Y	82	Confident	76.4	Confident	12 Å²	12	38.4 Å²	38.4	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-65.8	-25.8	175.5	72.7	-92.7	0	0	0	113.5	G406 F410 I411 M412 E435 L438 S439 Q442	G406-Y408 PolarHBondContact O-N 3.24Å; G406-Y408 VanDerWaalsContact O-N 3.15Å; Y408-F410 VanDerWaalsContact C-N 3.26Å; Y408-F410 PolarHBondContact O-N 3.04Å; Y408-I411 PolarHBondContact O-N 2.67Å; Y408-M412 WeakPolarHBondContact O-CB 3.49Å; Y408-M412 WeakPolarHBondContact O-CG 3.41Å; Y408-M412 PolarHBondContact O-N 3.42Å; Y408-E435 HydrophobicContact CE2-CG 4.48Å; Y408-L438 HydrophobicContact CD1-CD2 3.95Å; Y408-L438 HydrophobicContact CD1-CG 4.35Å; Y408-L438 HydrophobicContact CD2-CD2 3.33Å; Y408-L438 HydrophobicContact CD2-CG 3.93Å; Y408-L438 HydrophobicContact CE1-CD2 4.21Å; Y408-L438 HydrophobicContact CE1-CG 4.11Å; Y408-L438 HydrophobicContact CE2-CB 4.12Å; Y408-L438 HydrophobicContact CE2-CD2 3.64Å; Y408-L438 HydrophobicContact CE2-CG 3.66Å; Y408-L438 HydrophobicContact CG-CD2 3.48Å; Y408-L438 VanDerWaalsContact CG-CD2 3.48Å; Y408-L438 HydrophobicContact CG-CG 4.25Å; Y408-S439 VanDerWaalsContact OH-CA 3.3Å; Y408-S439 WeakPolarHBondContact OH-CA 3.28Å; Y408-Q442 PolarHBondContact OH-OE1 3.03Å
409	Y	82.8	Confident	75.3	Confident	1 Å²	1	42.4 Å²	42.4	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-43.9	176.6	-71.5	-68.5	0	0	0	109.7	Y288 G406 G407 S413 E435 S439 Q442	Y288-Y409 HydrophobicContact CE1-CD1 4.4Å; Y288-Y409 AromaticContact CE1-CD2 3.74Å; Y288-Y409 HydrophobicContact CE1-CD2 3.74Å; Y288-Y409 HydrophobicContact CE1-CE1 4.32Å; Y288-Y409 AromaticContact CE1-CE2 3.67Å; Y288-Y409 HydrophobicContact CE1-CE2 3.67Å; Y288-Y409 HydrophobicContact CE1-CG 4.14Å; Y288-Y409 AromaticContact CE1-CZ 3.97Å; Y288-Y409 WeakPolarHBondContact OH-CE1 2.8Å; G406-Y409 WeakPolarHBondContact O-CB 3.32Å; G406-Y409 VanDerWaalsContact O-CD2 3.24Å; G406-Y409 WeakPolarHBondContact O-CD2 3.45Å; G406-Y409 PolarHBondContact O-N 3.01Å; G407-Y409 VanDerWaalsContact C-N 3.27Å; G407-Y409 PolarHBondContact O-N 2.8Å; Y409-S413 WeakPolarHBondContact O-CB 3.21Å; Y409-S413 PolarHBondContact O-N 2.65Å; Y409-S413 PolarHBondContact O-OG 3Å; Y409-E435 HydrophobicContact CD1-CG 4.29Å; Y409-S439 WeakPolarHBondContact OH-CB 3.41Å; Y409-S439 PolarHBondContact OH-OG 3.43Å; Y409-Q442 PolarHBondContact OH-OE1 3.11Å
410	F	81.1	Confident	73.7	Confident	47 Å²	47	45.5 Å²	45.5	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-47.7	176.7	-176.3	-102.8	0	0	0	112.1	I362 I363 F366 G407 Y408 M412 S413 I414	I362-F410 HydrophobicContact CG2-CB 3.81Å; I362-F410 HydrophobicContact CG2-CD2 4.38Å; I363-F410 HydrophobicContact CG1-CD2 4.02Å; I363-F410 HydrophobicContact CG1-CE2 3.86Å; F366-F410 HydrophobicContact CB-CB 3.84Å; F366-F410 HydrophobicContact CB-CD1 4.23Å; F366-F410 HydrophobicContact CB-CG 3.99Å; F366-F410 AromaticContact CD1-CD1 3.42Å; F366-F410 HydrophobicContact CD1-CD1 3.42Å; F366-F410 VanDerWaalsContact CD1-CD1 3.42Å; F366-F410 AromaticContact CD1-CE1 3.67Å; F366-F410 HydrophobicContact CD1-CE1 3.67Å; F366-F410 HydrophobicContact CD1-CG 4.02Å; F366-F410 HydrophobicContact CD1-CZ 4.46Å; F366-F410 HydrophobicContact CD2-CB 3.88Å; F366-F410 AromaticContact CD2-CD1 3.72Å; F366-F410 HydrophobicContact CD2-CD1 3.72Å; F366-F410 HydrophobicContact CD2-CG 4.12Å; F366-F410 AromaticContact CE1-CD1 3.53Å; F366-F410 HydrophobicContact CE1-CD1 3.53Å; F366-F410 AromaticContact CE1-CE1 3.55Å; F366-F410 HydrophobicContact CE1-CE1 3.55Å; F366-F410 AromaticContact CE2-CD1 3.83Å; F366-F410 HydrophobicContact CE2-CD1 3.83Å; F366-F410 HydrophobicContact CG-CB 3.86Å; F366-F410 AromaticContact CG-CD1 3.51Å; F366-F410 HydrophobicContact CG-CD1 3.51Å; F366-F410 HydrophobicContact CG-CE1 4.24Å; F366-F410 AromaticContact CG-CG 3.78Å; F366-F410 HydrophobicContact CG-CG 3.78Å; F366-F410 AromaticContact CZ-CD1 3.73Å; F366-F410 HydrophobicContact CZ-CD1 3.73Å; F366-F410 HydrophobicContact CZ-CE1 4.04Å; G407-F410 PolarHBondContact O-N 3.47Å; Y408-F410 VanDerWaalsContact C-N 3.26Å; Y408-F410 PolarHBondContact O-N 3.04Å; F410-M412 VanDerWaalsContact C-N 3.33Å; F410-M412 PolarHBondContact O-N 2.75Å; F410-S413 WeakPolarHBondContact O-CA 3.35Å; F410-S413 VanDerWaalsContact O-CB 3.31Å; F410-S413 WeakPolarHBondContact O-CB 3.47Å; F410-S413 PolarHBondContact O-N 3.47Å; F410-I414 HydrophobicContact CE1-CD1 3.83Å; F410-I414 HydrophobicContact CE1-CG1 4.27Å; F410-I414 HydrophobicContact CE2-CD1 4.28Å; F410-I414 HydrophobicContact CZ-CD1 3.7Å; F410-I414 PolarHBondContact O-N 3.23Å
411	I	77.5	Confident	72.4	Confident	88 Å²	88	46.8 Å²	46.8	45%	0.451	25%	0.249	S	C	.	.	H	α-helix	trans	-58.6	-45.1	-179.7	-61.1	172.4	0	0	0	111.1	F366 G407 Y408 S413 I414 P415	F366-I411 HydrophobicContact CE2-CD1 4.36Å; F366-I411 HydrophobicContact CE2-CG1 4Å; G407-I411 PolarHBondContact O-N 3.31Å; Y408-I411 PolarHBondContact O-N 2.67Å; I411-S413 PolarHBondContact O-N 3.06Å; I411-I414 PolarHBondContact O-N 3.01Å; I411-P415 WeakPolarHBondContact O-CD 3.29Å
412	M	73.9	Confident	70.7	Confident	49 Å²	49	49.4 Å²	49.4	24%	0.241	26%	0.264	C	S	.	.	H	α-helix	trans	-72.4	-18.4	178	-65.3	-62.8	-178.2	0	0	113.1	Y408 F410 V434 E435	Y408-M412 WeakPolarHBondContact O-CB 3.49Å; Y408-M412 WeakPolarHBondContact O-CG 3.41Å; Y408-M412 PolarHBondContact O-N 3.42Å; F410-M412 VanDerWaalsContact C-N 3.33Å; F410-M412 PolarHBondContact O-N 2.75Å; M412-V434 HydrophobicContact CE-CG1 4.03Å; M412-E435 HydrophobicContact CB-CB 4.26Å; M412-E435 HydrophobicContact CB-CG 4.15Å; M412-E435 HydrophobicContact CG-CB 4.36Å; M412-E435 HydrophobicContact CG-CG 4.47Å
413	S	69.8	Low	69.1	Low	4 Å²	4	51.2 Å²	51.2	3%	0.028	28%	0.278	C	S	.	.	H	α-helix	trans	-79	-24.1	174.6	-57.7	0	0	0	0	113	Y409 F410 I411 V416 L417 Y576	Y409-S413 WeakPolarHBondContact O-CB 3.21Å; Y409-S413 PolarHBondContact O-N 2.65Å; Y409-S413 PolarHBondContact O-OG 3Å; F410-S413 WeakPolarHBondContact O-CA 3.35Å; F410-S413 VanDerWaalsContact O-CB 3.31Å; F410-S413 WeakPolarHBondContact O-CB 3.47Å; F410-S413 PolarHBondContact O-N 3.47Å; I411-S413 PolarHBondContact O-N 3.06Å; S413-V416 PolarHBondContact O-N 3.39Å; S413-V416 VanDerWaalsContact O-N 3.16Å; S413-L417 PolarHBondContact O-N 2.75Å; S413-Y576 VanDerWaalsContact OG-CD2 3.3Å; S413-Y576 WeakPolarHBondContact OG-CD2 3.36Å; S413-Y576 WeakPolarHBondContact OG-CE2 3.13Å
414	I	70.9	Confident	67.5	Low	64 Å²	64	52.6 Å²	52.6	33%	0.328	29%	0.285	S	S	.	.	H	α-helix	trans	-57.3	-51.4	-178	-66.2	-60.3	0	0	0	112.1	F410 I411 V416 L417 T418	F410-I414 HydrophobicContact CE1-CD1 3.83Å; F410-I414 HydrophobicContact CE1-CG1 4.27Å; F410-I414 HydrophobicContact CE2-CD1 4.28Å; F410-I414 HydrophobicContact CZ-CD1 3.7Å; F410-I414 PolarHBondContact O-N 3.23Å; I411-I414 PolarHBondContact O-N 3.01Å; I414-V416 PolarHBondContact O-N 3.35Å; I414-L417 PolarHBondContact O-N 3.21Å; I414-T418 HydrophobicContact CG2-CG2 3.89Å; I414-T418 WeakPolarHBondContact O-CG2 3.45Å; I414-T418 PolarHBondContact O-N 2.87Å; I414-T418 PolarHBondContact O-OG1 3.34Å
415	P	65.9	Low	66.3	Low	37 Å²	37	55.3 Å²	55.3	24%	0.24	30%	0.302	C	S	.	.	H	α-helix	trans	-56.1	-37.1	177.3	-26	34.9	0	0	0	113	I411 L417 T418 M419	I411-P415 WeakPolarHBondContact O-CD 3.29Å; P415-L417 VanDerWaalsContact C-N 3.33Å; P415-T418 PolarHBondContact O-OG1 3.47Å; P415-M419 WeakPolarHBondContact O-CB 3.39Å; P415-M419 WeakPolarHBondContact O-CG 3.36Å; P415-M419 PolarHBondContact O-N 3.43Å
416	V	63.6	Low	65.2	Low	18 Å²	18	62.3 Å²	62.3	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-34.9	178.2	-173.6	0	0	0	0	111.4	S413 I414 L428 L432 Y576	S413-V416 PolarHBondContact O-N 3.39Å; S413-V416 VanDerWaalsContact O-N 3.16Å; I414-V416 PolarHBondContact O-N 3.35Å; V416-L428 HydrophobicContact CB-CD1 4.49Å; V416-L428 HydrophobicContact CG2-CD1 3.7Å; V416-L432 HydrophobicContact CG2-CD2 4.38Å; V416-Y576 HydrophobicContact CB-CD1 4.01Å; V416-Y576 HydrophobicContact CB-CE1 4.41Å; V416-Y576 HydrophobicContact CB-CG 4.44Å; V416-Y576 HydrophobicContact CG1-CD1 3.52Å; V416-Y576 HydrophobicContact CG1-CE1 4.11Å; V416-Y576 HydrophobicContact CG1-CG 4.23Å; V416-Y576 HydrophobicContact CG2-CD1 4.45Å; V416-Y576 HydrophobicContact CG2-CG 4.42Å
417	L	64	Low	64.3	Low	129 Å²	129	65.2 Å²	65.2	68%	0.675	36%	0.355	S	S	*	.	H	α-helix	trans	-78.2	-32.9	179.4	-175.8	61.8	0	0	0	112.7	S413 I414 P415	S413-L417 PolarHBondContact O-N 2.75Å; I414-L417 PolarHBondContact O-N 3.21Å; P415-L417 VanDerWaalsContact C-N 3.33Å
418	T	64.1	Low	63.7	Low	89 Å²	89	66.4 Å²	66.4	55%	0.546	36%	0.361	S	S	.	.	H	α-helix	trans	-92.2	-25.2	-175.3	58.5	0	0	0	0	113.9	I414 P415	I414-T418 HydrophobicContact CG2-CG2 3.89Å; I414-T418 WeakPolarHBondContact O-CG2 3.45Å; I414-T418 PolarHBondContact O-N 2.87Å; I414-T418 PolarHBondContact O-OG1 3.34Å; P415-T418 PolarHBondContact O-OG1 3.47Å
419	M	55.9	Low	62.9	Low	116 Å²	116	66.9 Å²	66.9	57%	0.571	36%	0.364	S	S	*	.	S	Bend	trans	-88.3	132.4	-176	-62.2	-70.1	150.9	0	0	110.7	P415 N421	P415-M419 WeakPolarHBondContact O-CB 3.39Å; P415-M419 WeakPolarHBondContact O-CG 3.36Å; P415-M419 PolarHBondContact O-N 3.43Å; M419-N421 PolarHBondContact O-N 3.48Å
420	D	49.8	Very low	62.3	Low	133 Å²	133	69.8 Å²	69.8	71%	0.711	38%	0.384	S	S	*	.			trans	-61.2	134.8	171.8	-86.7	-30.4	0	0	0	110.9	T422 V423	D420-T422 PolarHBondContact O-N 3.37Å; D420-V423 PolarHBondContact O-N 2.88Å
421	N	52.6	Low	61.8	Low	84 Å²	84	69.4 Å²	69.4	45%	0.449	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-10.8	-179.4	-66.8	-58.6	0	0	0	114.3	M419 N583	M419-N421 PolarHBondContact O-N 3.48Å; N421-N583 HydrophobicContact CB-CB 4.39Å; N421-N583 PolarHBondContact OD1-ND2 3.28Å
422	T	45.5	Very low	61.4	Low	77 Å²	77	65.4 Å²	65.4	47%	0.472	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-28.2	-178.2	57.2	0	0	0	0	112.7	D420 F587	D420-T422 PolarHBondContact O-N 3.37Å; T422-F587 HydrophobicContact CG2-CD1 3.87Å; T422-F587 HydrophobicContact CG2-CE1 4.04Å; T422-F587 HydrophobicContact CG2-CG 4.35Å
423	V	47.1	Very low	61.2	Low	87 Å²	87	64.1 Å²	64.1	53%	0.527	36%	0.362	S	S	.	.			trans	-108.5	73.3	178.6	-153.6	0	0	0	0	108.5	D420 T425	D420-V423 PolarHBondContact O-N 2.88Å; V423-T425 WeakPolarHBondContact CG1-OG1 3.14Å; V423-T425 PolarHBondContact O-N 3.32Å; V423-T425 PolarHBondContact O-OG1 3.03Å
424	L	46.5	Very low	61.6	Low	60 Å²	60	67.7 Å²	67.7	31%	0.314	38%	0.384	S	S	.	.			trans	-60.9	80.1	157.8	-178.1	70.5	0	0	0	107.7	L428 T580 V584	L424-L428 HydrophobicContact CD1-CD2 4.23Å; L424-T580 HydrophobicContact CD1-CG2 3.91Å; L424-V584 HydrophobicContact CD1-CG2 3.44Å; L424-V584 VanDerWaalsContact CD1-CG2 3.44Å; L424-V584 HydrophobicContact CD2-CB 3.98Å; L424-V584 HydrophobicContact CD2-CG1 3.64Å; L424-V584 HydrophobicContact CD2-CG2 3.48Å; L424-V584 VanDerWaalsContact CD2-CG2 3.48Å; L424-V584 HydrophobicContact CG-CG2 4.06Å
425	T	55.3	Low	62.1	Low	61 Å²	61	64.9 Å²	64.9	37%	0.374	37%	0.369	S	S	.	.			trans	-81.2	146.5	-177.4	-43.3	0	0	0	0	107.2	V423 S427 L428 L429	V423-T425 WeakPolarHBondContact CG1-OG1 3.14Å; V423-T425 PolarHBondContact O-N 3.32Å; V423-T425 PolarHBondContact O-OG1 3.03Å; T425-S427 VanDerWaalsContact CB-OG 3.24Å; T425-S427 WeakPolarHBondContact CB-OG 3.29Å; T425-S427 WeakPolarHBondContact CG2-OG 3.34Å; T425-S427 PolarHBondContact O-N 3.45Å; T425-L428 PolarHBondContact O-N 3.2Å; T425-L429 PolarHBondContact O-N 2.98Å
426	E	58.9	Low	62.6	Low	150 Å²	150	63.4 Å²	63.4	70%	0.701	36%	0.359	S	S	*	.	H	α-helix	trans	-47.3	-26.6	168	-60.6	-178.2	160.3	0	0	112.5	S430	E426-S430 PolarHBondContact O-N 2.68Å
427	S	63.4	Low	63.5	Low	64 Å²	64	65.1 Å²	65.1	45%	0.448	37%	0.369	S	S	.	.	H	α-helix	trans	-68.5	-37.2	174.1	63.3	0	0	0	0	114.6	T425 L429 S430 C431	T425-S427 VanDerWaalsContact CB-OG 3.24Å; T425-S427 WeakPolarHBondContact CB-OG 3.29Å; T425-S427 WeakPolarHBondContact CG2-OG 3.34Å; T425-S427 PolarHBondContact O-N 3.45Å; S427-L429 VanDerWaalsContact C-N 3.35Å; S427-S430 WeakPolarHBondContact CA-OG 3.33Å; S427-S430 PolarHBondContact O-N 3.36Å; S427-S430 PolarHBondContact O-OG 3.21Å; S427-C431 PolarHBondContact O-N 3.47Å; S427-C431 PolarHBondContact O-SG 3.32Å
428	L	66.8	Low	64.5	Low	24 Å²	24	60.9 Å²	60.9	13%	0.126	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-41.8	176.9	-175.3	61.3	0	0	0	110.3	V416 L424 T425 S430 C431 L432 T580	V416-L428 HydrophobicContact CB-CD1 4.49Å; V416-L428 HydrophobicContact CG2-CD1 3.7Å; L424-L428 HydrophobicContact CD1-CD2 4.23Å; T425-L428 PolarHBondContact O-N 3.2Å; L428-S430 VanDerWaalsContact C-N 3.33Å; L428-S430 PolarHBondContact O-N 2.87Å; L428-C431 PolarHBondContact O-N 3.22Å; L428-L432 HydrophobicContact CG-CD1 4.31Å; L428-L432 WeakPolarHBondContact O-CG 3.49Å; L428-L432 PolarHBondContact O-N 3.46Å; L428-T580 HydrophobicContact CD2-CG2 3.69Å; L428-T580 HydrophobicContact CG-CG2 4.35Å
429	L	65.7	Low	65.5	Low	23 Å²	23	56.9 Å²	56.9	12%	0.12	32%	0.323	C	S	.	.	H	α-helix	trans	-61.6	-41.8	175.5	-178.8	71	0	0	0	111.7	L178 V181 L182 T425 S427 L432 S433	L178-L429 HydrophobicContact CD1-CD1 3.75Å; L178-L429 HydrophobicContact CD1-CD2 3.32Å; L178-L429 HydrophobicContact CD1-CG 4.13Å; V181-L429 HydrophobicContact CB-CD2 4.42Å; V181-L429 HydrophobicContact CG1-CD2 3.9Å; V181-L429 HydrophobicContact CG1-CG 4.48Å; L182-L429 HydrophobicContact CD2-CD1 3.76Å; L182-L429 HydrophobicContact CG-CD1 4.33Å; T425-L429 PolarHBondContact O-N 2.98Å; S427-L429 VanDerWaalsContact C-N 3.35Å; L429-L432 PolarHBondContact O-N 3.41Å; L429-S433 WeakPolarHBondContact O-CB 3.5Å; L429-S433 PolarHBondContact O-N 3.21Å; L429-S433 PolarHBondContact O-OG 3.09Å
430	S	69.4	Low	67	Low	62 Å²	62	51.4 Å²	51.4	43%	0.434	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-42.3	178	70.6	0	0	0	0	111.4	E426 S427 L428 L432 S433 V434	E426-S430 PolarHBondContact O-N 2.68Å; S427-S430 WeakPolarHBondContact CA-OG 3.33Å; S427-S430 PolarHBondContact O-N 3.36Å; S427-S430 PolarHBondContact O-OG 3.21Å; L428-S430 VanDerWaalsContact C-N 3.33Å; L428-S430 PolarHBondContact O-N 2.87Å; S430-L432 PolarHBondContact O-N 3.46Å; S430-S433 WeakPolarHBondContact O-CB 3.33Å; S430-S433 PolarHBondContact O-N 3.34Å; S430-V434 WeakPolarHBondContact O-CG2 3.46Å; S430-V434 PolarHBondContact O-N 3.26Å
431	C	70.4	Confident	68.9	Low	38 Å²	38	47.9 Å²	47.9	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-57.5	-48.4	173.4	-72.4	0	0	0	0	112.3	S427 L428 S433 V434 E435	S427-C431 PolarHBondContact O-N 3.47Å; S427-C431 PolarHBondContact O-SG 3.32Å; L428-C431 PolarHBondContact O-N 3.22Å; C431-S433 VanDerWaalsContact C-N 3.3Å; C431-S433 PolarHBondContact O-N 3.28Å; C431-V434 PolarHBondContact O-N 3.2Å; C431-E435 PolarHBondContact O-N 3.45Å
432	L	70.3	Confident	70.7	Confident	5 Å²	5	43.9 Å²	43.9	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-36.4	177.7	-70	171.8	0	0	0	112.3	V416 L428 L429 S430 E435 H436 T580	V416-L432 HydrophobicContact CG2-CD2 4.38Å; L428-L432 HydrophobicContact CG-CD1 4.31Å; L428-L432 WeakPolarHBondContact O-CG 3.49Å; L428-L432 PolarHBondContact O-N 3.46Å; L429-L432 PolarHBondContact O-N 3.41Å; S430-L432 PolarHBondContact O-N 3.46Å; L432-E435 PolarHBondContact O-N 3.43Å; L432-H436 WeakPolarHBondContact O-CB 3.45Å; L432-H436 PolarHBondContact O-N 3.37Å; L432-T580 HydrophobicContact CD1-CG2 3.78Å
433	S	70.4	Confident	73	Confident	22 Å²	22	40.3 Å²	40.3	15%	0.154	23%	0.234	C	C	.	.	H	α-helix	trans	-66.1	-42.2	176.2	-58.4	0	0	0	0	111.3	L429 S430 C431 H436 V437	L429-S433 WeakPolarHBondContact O-CB 3.5Å; L429-S433 PolarHBondContact O-N 3.21Å; L429-S433 PolarHBondContact O-OG 3.09Å; S430-S433 WeakPolarHBondContact O-CB 3.33Å; S430-S433 PolarHBondContact O-N 3.34Å; C431-S433 VanDerWaalsContact C-N 3.3Å; C431-S433 PolarHBondContact O-N 3.28Å; S433-H436 PolarHBondContact O-N 2.85Å; S433-V437 WeakPolarHBondContact O-CG2 3.5Å; S433-V437 PolarHBondContact O-N 3.38Å
434	V	78	Confident	75.2	Confident	79 Å²	79	38 Å²	38	48%	0.479	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-44.7	175.8	171.8	0	0	0	0	111.1	M412 S430 C431 H436 V437 L438	M412-V434 HydrophobicContact CE-CG1 4.03Å; S430-V434 WeakPolarHBondContact O-CG2 3.46Å; S430-V434 PolarHBondContact O-N 3.26Å; C431-V434 PolarHBondContact O-N 3.2Å; V434-H436 VanDerWaalsContact C-N 3.29Å; V434-H436 PolarHBondContact O-N 3.41Å; V434-V437 PolarHBondContact O-N 3.43Å; V434-L438 WeakPolarHBondContact O-CB 3.49Å; V434-L438 PolarHBondContact O-N 3.36Å
435	E	79.8	Confident	77.4	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-43.6	175.9	-171	-164	150.2	0	0	111.1	Y408 Y409 M412 C431 L432 L438 S439 S574	Y408-E435 HydrophobicContact CE2-CG 4.48Å; Y409-E435 HydrophobicContact CD1-CG 4.29Å; M412-E435 HydrophobicContact CB-CB 4.26Å; M412-E435 HydrophobicContact CB-CG 4.15Å; M412-E435 HydrophobicContact CG-CB 4.36Å; M412-E435 HydrophobicContact CG-CG 4.47Å; C431-E435 PolarHBondContact O-N 3.45Å; L432-E435 PolarHBondContact O-N 3.43Å; E435-L438 PolarHBondContact O-N 2.89Å; E435-S439 WeakPolarHBondContact O-CB 3.05Å; E435-S439 PolarHBondContact O-N 3.35Å; E435-S574 WeakPolarHBondContact OE1-CB 3.19Å; E435-S574 PolarHBondContact OE1-OG 2.86Å; E435-S574 PolarHBondContact OE2-OG 3.48Å; E435-S574 VanDerWaalsContact OE2-OG 3.13Å
436	H	77.5	Confident	79.1	Confident	7 Å²	7	34.8 Å²	34.8	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-47.7	178.6	-176.8	63.5	0	0	0	112.1	A185 G189 L432 S433 V434 S439 S440 V571	A185-H436 PolarHBondContact O-CD2 2.86Å; G189-H436 WeakPolarHBondContact CA-NE2 3.33Å; L432-H436 WeakPolarHBondContact O-CB 3.45Å; L432-H436 PolarHBondContact O-N 3.37Å; S433-H436 PolarHBondContact O-N 2.85Å; V434-H436 VanDerWaalsContact C-N 3.29Å; V434-H436 PolarHBondContact O-N 3.41Å; H436-S439 PolarHBondContact O-N 2.78Å; H436-S440 PolarHBondContact O-N 2.94Å; H436-V571 PolarHBondContact CE1-O 3.03Å; H436-V571 PolarHBondContact ND1-O 3.07Å; H436-V571 PolarHBondContact NE2-O 2.87Å
437	V	82	Confident	80.8	Confident	53 Å²	53	27.6 Å²	27.6	32%	0.321	17%	0.166	S	C	.	.	H	α-helix	trans	-62	-46.5	176.8	172.2	0	0	0	0	110.5	S433 V434 S439 S440 L441	S433-V437 WeakPolarHBondContact O-CG2 3.5Å; S433-V437 PolarHBondContact O-N 3.38Å; V434-V437 PolarHBondContact O-N 3.43Å; V437-S439 VanDerWaalsContact C-N 3.31Å; V437-S439 PolarHBondContact O-N 2.87Å; V437-S440 PolarHBondContact O-N 2.77Å; V437-S440 PolarHBondContact O-OG 3.28Å; V437-L441 HydrophobicContact CG1-CD1 4.02Å; V437-L441 WeakPolarHBondContact O-CG 3.35Å; V437-L441 PolarHBondContact O-N 3.15Å
438	L	85.2	Confident	82.2	Confident	41 Å²	41	27.5 Å²	27.5	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-40.1	179.1	-176	55	0	0	0	111.9	Y408 V434 E435 L441 Q442 L445	Y408-L438 HydrophobicContact CD1-CD2 3.95Å; Y408-L438 HydrophobicContact CD1-CG 4.35Å; Y408-L438 HydrophobicContact CD2-CD2 3.33Å; Y408-L438 HydrophobicContact CD2-CG 3.93Å; Y408-L438 HydrophobicContact CE1-CD2 4.21Å; Y408-L438 HydrophobicContact CE1-CG 4.11Å; Y408-L438 HydrophobicContact CE2-CB 4.12Å; Y408-L438 HydrophobicContact CE2-CD2 3.64Å; Y408-L438 HydrophobicContact CE2-CG 3.66Å; Y408-L438 HydrophobicContact CG-CD2 3.48Å; Y408-L438 VanDerWaalsContact CG-CD2 3.48Å; Y408-L438 HydrophobicContact CG-CG 4.25Å; V434-L438 WeakPolarHBondContact O-CB 3.49Å; V434-L438 PolarHBondContact O-N 3.36Å; E435-L438 PolarHBondContact O-N 2.89Å; L438-L441 PolarHBondContact O-N 3.2Å; L438-Q442 PolarHBondContact O-N 3.47Å; L438-L445 HydrophobicContact CD1-CD1 4.38Å
439	S	85.5	Confident	83.3	Confident	5 Å²	5	28.2 Å²	28.2	4%	0.035	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-42.3	173.9	-172.5	0	0	0	0	112.7	Y193 R231 Y408 Y409 E435 H436 V437 L441 Q442	Y193-S439 PolarHBondContact OH-OG 3.06Å; R231-S439 PolarHBondContact NH2-OG 3.09Å; Y408-S439 VanDerWaalsContact OH-CA 3.3Å; Y408-S439 WeakPolarHBondContact OH-CA 3.28Å; Y409-S439 WeakPolarHBondContact OH-CB 3.41Å; Y409-S439 PolarHBondContact OH-OG 3.43Å; E435-S439 WeakPolarHBondContact O-CB 3.05Å; E435-S439 PolarHBondContact O-N 3.35Å; H436-S439 PolarHBondContact O-N 2.78Å; V437-S439 VanDerWaalsContact C-N 3.31Å; V437-S439 PolarHBondContact O-N 2.87Å; S439-L441 VanDerWaalsContact C-N 3.3Å; S439-L441 PolarHBondContact O-N 3.18Å; S439-Q442 WeakPolarHBondContact O-CB 3.34Å; S439-Q442 PolarHBondContact O-N 2.98Å
440	S	86.8	Confident	84.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-34	177.2	75.6	0	0	0	0	113	G189 G192 S196 H436 V437	G189-S440 WeakPolarHBondContact O-CB 3.37Å; G192-S440 CarbonylContact C-O 3.58Å; S196-S440 WeakPolarHBondContact CB-O 3.39Å; H436-S440 PolarHBondContact O-N 2.94Å; V437-S440 PolarHBondContact O-N 2.77Å; V437-S440 PolarHBondContact O-OG 3.28Å
441	L	89.6	Confident	85.7	Confident	58 Å²	58	26.2 Å²	26.2	30%	0.304	15%	0.145	S	C	.	.	H	α-helix	trans	-88.8	-8.9	179.6	-63.7	177.2	0	0	0	113.4	V437 L438 S439 G443 L444 L445	V437-L441 HydrophobicContact CG1-CD1 4.02Å; V437-L441 WeakPolarHBondContact O-CG 3.35Å; V437-L441 PolarHBondContact O-N 3.15Å; L438-L441 PolarHBondContact O-N 3.2Å; S439-L441 VanDerWaalsContact C-N 3.3Å; S439-L441 PolarHBondContact O-N 3.18Å; L441-G443 VanDerWaalsContact C-N 3.33Å; L441-G443 PolarHBondContact O-N 3.31Å; L441-L444 HydrophobicContact CD2-CD2 4.19Å; L441-L444 WeakPolarHBondContact O-CB 3.28Å; L441-L444 PolarHBondContact O-N 3.09Å; L441-L444 VanDerWaalsContact O-N 3.11Å; L441-L445 WeakPolarHBondContact O-CG 3.46Å; L441-L445 PolarHBondContact O-N 3.4Å
442	Q	90.8	Very high	86.8	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-46.7	-175.7	-169.3	-175.7	3.9	0	0	111.6	F228 I403 V404 Y408 Y409 L438 S439 L444 L445 V446	F228-Q442 HydrophobicContact CE1-CG 4.42Å; F228-Q442 HydrophobicContact CZ-CG 4.15Å; I403-Q442 PolarHBondContact O-NE2 2.77Å; V404-Q442 PolarHBondContact O-NE2 3.16Å; Y408-Q442 PolarHBondContact OH-OE1 3.03Å; Y409-Q442 PolarHBondContact OH-OE1 3.11Å; L438-Q442 PolarHBondContact O-N 3.47Å; S439-Q442 WeakPolarHBondContact O-CB 3.34Å; S439-Q442 PolarHBondContact O-N 2.98Å; Q442-L444 VanDerWaalsContact C-N 3.33Å; Q442-L444 PolarHBondContact O-N 3.14Å; Q442-L445 PolarHBondContact O-N 3.13Å; Q442-V446 WeakPolarHBondContact O-CB 3.42Å; Q442-V446 VanDerWaalsContact O-CG2 3.25Å; Q442-V446 WeakPolarHBondContact O-CG2 3.35Å; Q442-V446 PolarHBondContact O-N 3.42Å
443	G	92.8	Very high	87.7	Confident	2 Å²	2	31.8 Å²	31.8	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-35.7	178.8	0	0	0	0	0	113.5	S196 L200 L441 V446 A447	S196-G443 VanDerWaalsContact OG-CA 3.27Å; S196-G443 WeakPolarHBondContact OG-CA 3.29Å; L200-G443 WeakPolarHBondContact CD2-O 3.42Å; L441-G443 VanDerWaalsContact C-N 3.33Å; L441-G443 PolarHBondContact O-N 3.31Å; G443-V446 PolarHBondContact O-N 3.03Å; G443-A447 WeakPolarHBondContact O-CB 3.37Å; G443-A447 PolarHBondContact O-N 2.9Å
444	L	94	Very high	88.6	Confident	38 Å²	38	32.1 Å²	32.1	20%	0.199	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-46.8	172.3	171.6	66.1	0	0	0	111.3	I195 S196 L441 Q442 V446 A447 I448	I195-L444 HydrophobicContact CG2-CD1 4.1Å; I195-L444 HydrophobicContact CG2-CD2 3.87Å; I195-L444 HydrophobicContact CG2-CG 4.46Å; S196-L444 PolarHBondContact OG-N 3.46Å; L441-L444 HydrophobicContact CD2-CD2 4.19Å; L441-L444 WeakPolarHBondContact O-CB 3.28Å; L441-L444 PolarHBondContact O-N 3.09Å; L441-L444 VanDerWaalsContact O-N 3.11Å; Q442-L444 VanDerWaalsContact C-N 3.33Å; Q442-L444 PolarHBondContact O-N 3.14Å; L444-V446 VanDerWaalsContact C-N 3.34Å; L444-V446 PolarHBondContact O-N 3.02Å; L444-A447 PolarHBondContact O-N 2.74Å; L444-I448 HydrophobicContact CD1-CD1 3.87Å; L444-I448 HydrophobicContact CD1-CG1 4.2Å; L444-I448 HydrophobicContact CG-CD1 3.88Å; L444-I448 VanDerWaalsContact O-CG1 3.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.12Å; L444-I448 PolarHBondContact O-N 3.41Å
445	L	92.1	Very high	89.2	Confident	53 Å²	53	34.9 Å²	34.9	28%	0.277	18%	0.181	S	C	.	.	H	α-helix	trans	-62.9	-43.3	179.9	-66	172.1	0	0	0	111	I403 L438 L441 Q442 A447 I448 I449	I403-L445 HydrophobicContact CD1-CD1 4.4Å; I403-L445 HydrophobicContact CG2-CB 4.13Å; I403-L445 HydrophobicContact CG2-CD1 3.56Å; I403-L445 HydrophobicContact CG2-CG 4.48Å; L438-L445 HydrophobicContact CD1-CD1 4.38Å; L441-L445 WeakPolarHBondContact O-CG 3.46Å; L441-L445 PolarHBondContact O-N 3.4Å; Q442-L445 PolarHBondContact O-N 3.13Å; L445-A447 PolarHBondContact O-N 3.49Å; L445-I448 PolarHBondContact O-N 3.38Å; L445-I449 WeakPolarHBondContact O-CD1 3.46Å; L445-I449 WeakPolarHBondContact O-CG1 3.12Å; L445-I449 PolarHBondContact O-N 2.86Å
446	V	92.7	Very high	89.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-46.6	174.2	168.4	0	0	0	0	111.2	L224 F225 F228 V404 Q442 G443 L444 I448 I449 Y450	L224-V446 HydrophobicContact CD2-CG1 3.96Å; F225-V446 HydrophobicContact CD1-CG1 3.92Å; F225-V446 HydrophobicContact CE1-CG1 3.68Å; F228-V446 HydrophobicContact CD2-CG1 4.37Å; F228-V446 HydrophobicContact CE2-CB 4.41Å; F228-V446 HydrophobicContact CE2-CG1 4.23Å; F228-V446 HydrophobicContact CE2-CG2 3.91Å; V404-V446 HydrophobicContact CG1-CG2 4.4Å; V404-V446 HydrophobicContact CG2-CG2 4.11Å; Q442-V446 WeakPolarHBondContact O-CB 3.42Å; Q442-V446 VanDerWaalsContact O-CG2 3.25Å; Q442-V446 WeakPolarHBondContact O-CG2 3.35Å; Q442-V446 PolarHBondContact O-N 3.42Å; G443-V446 PolarHBondContact O-N 3.03Å; L444-V446 VanDerWaalsContact C-N 3.34Å; L444-V446 PolarHBondContact O-N 3.02Å; V446-I448 PolarHBondContact O-N 3.45Å; V446-I449 PolarHBondContact O-N 2.95Å; V446-Y450 HydrophobicContact CG1-CD2 3.87Å; V446-Y450 HydrophobicContact CG1-CE2 4.23Å; V446-Y450 PolarHBondContact O-N 2.77Å
447	A	94.8	Very high	90.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-41.2	176.6	0	0	0	0	0	112.4	L200 A203 G443 L444 L445 C451 F452	L200-A447 HydrophobicContact CD2-CB 4.1Å; L200-A447 HydrophobicContact CG-CB 4.48Å; A203-A447 HydrophobicContact CB-CB 4.15Å; G443-A447 WeakPolarHBondContact O-CB 3.37Å; G443-A447 PolarHBondContact O-N 2.9Å; L444-A447 PolarHBondContact O-N 2.74Å; L445-A447 PolarHBondContact O-N 3.49Å; A447-C451 WeakPolarHBondContact O-CA 3.47Å; A447-C451 WeakPolarHBondContact O-CB 3.49Å; A447-C451 PolarHBondContact O-N 2.92Å; A447-F452 HydrophobicContact CB-CE2 4.13Å; A447-F452 PolarHBondContact O-N 2.8Å; A447-F452 VanDerWaalsContact O-N 3.14Å
448	I	92.5	Very high	91	Very high	61 Å²	61	43.8 Å²	43.8	31%	0.313	21%	0.213	S	C	.	.	I	π-helix	trans	-61.7	-46.2	176.1	-70.6	168.4	0	0	0	110.8	L444 L445 V446 F452 C453	L444-I448 HydrophobicContact CD1-CD1 3.87Å; L444-I448 HydrophobicContact CD1-CG1 4.2Å; L444-I448 HydrophobicContact CG-CD1 3.88Å; L444-I448 VanDerWaalsContact O-CG1 3.3Å; L444-I448 WeakPolarHBondContact O-CG1 3.12Å; L444-I448 PolarHBondContact O-N 3.41Å; L445-I448 PolarHBondContact O-N 3.38Å; V446-I448 PolarHBondContact O-N 3.45Å; I448-F452 HydrophobicContact CG1-CD2 4.07Å; I448-F452 PolarHBondContact O-N 3.48Å; I448-C453 VanDerWaalsContact CG2-SG 3.58Å; I448-C453 WeakPolarHBondContact O-CB 3.4Å; I448-C453 PolarHBondContact O-N 3Å
449	I	90.2	Very high	91.4	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.205	22%	0.217	C	C	.	.	I	π-helix	trans	-69	-53.9	-175.4	-66.6	160	0	0	0	111.2	L400 V404 L445 V446	L400-I449 HydrophobicContact CB-CD1 4.06Å; L400-I449 HydrophobicContact CD2-CD1 3.48Å; L400-I449 VanDerWaalsContact CD2-CD1 3.48Å; L400-I449 HydrophobicContact CD2-CG1 3.82Å; L400-I449 HydrophobicContact CG-CD1 4.23Å; V404-I449 HydrophobicContact CG2-CD1 3.59Å; L445-I449 WeakPolarHBondContact O-CD1 3.46Å; L445-I449 WeakPolarHBondContact O-CG1 3.12Å; L445-I449 PolarHBondContact O-N 2.86Å; V446-I449 PolarHBondContact O-N 2.95Å
450	Y	90.8	Very high	91.8	Very high	41 Å²	41	44.5 Å²	44.5	16%	0.161	22%	0.221	C	C	.	.	I	π-helix	trans	-83.6	-27.9	-170.7	-69.1	-47.7	0	0	0	114	F207 H221 L224 F225 E294 V404 V446 N454	F207-Y450 WeakPolarHBondContact CZ-O 3.34Å; H221-Y450 AromaticContact CE1-CD1 3.82Å; H221-Y450 AromaticContact CE1-CE1 3.39Å; H221-Y450 WeakPolarHBondContact CE1-CE1 3.39Å; H221-Y450 AromaticContact CE1-CE2 3.92Å; H221-Y450 AromaticContact CE1-CZ 3.43Å; H221-Y450 VanDerWaalsContact CE1-CZ 3.43Å; H221-Y450 AromaticContact ND1-CD2 3.96Å; H221-Y450 AromaticContact ND1-CE1 3.97Å; H221-Y450 AromaticContact ND1-CE2 3.72Å; H221-Y450 AromaticContact ND1-CZ 3.72Å; H221-Y450 AromaticContact NE2-CD1 3.82Å; H221-Y450 AromaticContact NE2-CE1 3.74Å; L224-Y450 HydrophobicContact CD2-CE2 4.37Å; F225-Y450 HydrophobicContact CE1-CD2 4.11Å; E294-Y450 WeakPolarHBondContact OE1-CE2 3.49Å; E294-Y450 PolarHBondContact OE1-OH 3.01Å; V404-Y450 HydrophobicContact CG1-CE2 3.87Å; V446-Y450 HydrophobicContact CG1-CD2 3.87Å; V446-Y450 HydrophobicContact CG1-CE2 4.23Å; V446-Y450 PolarHBondContact O-N 2.77Å; Y450-N454 WeakPolarHBondContact O-CB 3.48Å; Y450-N454 PolarHBondContact O-ND2 2.82Å
451	C	93.2	Very high	92.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	24%	0.237	C	C	.	.	I	π-helix	trans	-106.8	-65.6	-179.2	-176.4	0	0	0	0	112.4	A203 F207 A447 N454 V457	A203-C451 HydrophobicContact CB-CB 3.71Å; F207-C451 HydrophobicContact CD2-CB 4.42Å; F207-C451 HydrophobicContact CE2-CB 3.7Å; A447-C451 WeakPolarHBondContact O-CA 3.47Å; A447-C451 WeakPolarHBondContact O-CB 3.49Å; A447-C451 PolarHBondContact O-N 2.92Å; C451-N454 PolarHBondContact O-N 3.29Å; C451-V457 WeakPolarHBondContact O-CB 3.39Å
452	F	93.2	Very high	92.2	Very high	77 Å²	77	51.2 Å²	51.2	34%	0.338	25%	0.25	S	C	.	.	I	π-helix	trans	-74.3	-36.1	-166.3	-57.4	-52.1	0	0	0	114.4	V202 I206 A447 I448 R458	V202-F452 HydrophobicContact CB-CZ 4.36Å; V202-F452 HydrophobicContact CG1-CE1 4.01Å; V202-F452 HydrophobicContact CG1-CZ 4.02Å; I206-F452 HydrophobicContact CD1-CE1 4.11Å; A447-F452 HydrophobicContact CB-CE2 4.13Å; A447-F452 PolarHBondContact O-N 2.8Å; A447-F452 VanDerWaalsContact O-N 3.14Å; I448-F452 HydrophobicContact CG1-CD2 4.07Å; I448-F452 PolarHBondContact O-N 3.48Å; F452-R458 WeakPolarHBondContact O-CD 3.28Å
453	C	90.5	Very high	92.3	Very high	84 Å²	84	57.7 Å²	57.7	57%	0.568	27%	0.274	S	S	*	.	S	Bend	trans	-87.6	-13.2	177	-73.1	0	0	0	0	112.9	I448 H455	I448-C453 VanDerWaalsContact CG2-SG 3.58Å; I448-C453 WeakPolarHBondContact O-CB 3.4Å; I448-C453 PolarHBondContact O-N 3Å; C453-H455 PolarHBondContact O-N 3.06Å
454	N	89.1	Confident	92.2	Very high	29 Å²	29	59.4 Å²	59.4	16%	0.155	29%	0.286	C	S	.	.			trans	-70.1	120.5	-177	-171.6	-17.2	0	0	0	110.8	Y450 C451 E456 V457 R458	Y450-N454 WeakPolarHBondContact O-CB 3.48Å; Y450-N454 PolarHBondContact O-ND2 2.82Å; C451-N454 PolarHBondContact O-N 3.29Å; N454-E456 VanDerWaalsContact C-N 3.29Å; N454-E456 PolarHBondContact O-N 3.17Å; N454-E456 PolarHBondContact OD1-N 3.26Å; N454-V457 HydrophobicContact CB-CB 4.22Å; N454-V457 HydrophobicContact CB-CG2 3.86Å; N454-V457 PolarHBondContact O-N 3.12Å; N454-R458 WeakPolarHBondContact O-CG 3.45Å; N454-R458 PolarHBondContact O-N 2.97Å
455	H	89.4	Confident	92.1	Very high	136 Å²	136	65.5 Å²	65.5	63%	0.63	31%	0.306	S	S	*	.	H	α-helix	trans	-61.4	-35.3	-178	74.1	-69.7	0	0	0	112.9	C453 R458 A459	C453-H455 PolarHBondContact O-N 3.06Å; H455-R458 PolarHBondContact O-N 3.12Å; H455-A459 VanDerWaalsContact O-CB 3.23Å; H455-A459 WeakPolarHBondContact O-CB 3.46Å; H455-A459 PolarHBondContact O-N 3.42Å
456	E	91.7	Very high	92.2	Very high	84 Å²	84	67.2 Å²	67.2	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-47.4	177.9	-63.5	176.4	-172.1	0	0	110.5	N454 A459 E460	N454-E456 VanDerWaalsContact C-N 3.29Å; N454-E456 PolarHBondContact O-N 3.17Å; N454-E456 PolarHBondContact OD1-N 3.26Å; E456-A459 PolarHBondContact O-N 3.43Å; E456-E460 PolarHBondContact O-N 2.91Å
457	V	93.2	Very high	92.2	Very high	1 Å²	1	76 Å²	76	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-46.5	178.5	-178.2	0	0	0	0	110.4	I206 F207 L213 C451 N454 A459 E460 I461	I206-V457 HydrophobicContact CG2-CG1 3.71Å; F207-V457 HydrophobicContact CE2-CG2 4Å; F207-V457 HydrophobicContact CZ-CG2 4.13Å; L213-V457 HydrophobicContact CD1-CG1 4.31Å; L213-V457 HydrophobicContact CD1-CG2 4.15Å; L213-V457 HydrophobicContact CD2-CG2 4.21Å; C451-V457 WeakPolarHBondContact O-CB 3.39Å; N454-V457 HydrophobicContact CB-CB 4.22Å; N454-V457 HydrophobicContact CB-CG2 3.86Å; N454-V457 PolarHBondContact O-N 3.12Å; V457-A459 VanDerWaalsContact C-N 3.32Å; V457-A459 PolarHBondContact O-N 2.93Å; V457-E460 PolarHBondContact O-N 2.68Å; V457-I461 HydrophobicContact CG1-CD1 3.91Å; V457-I461 VanDerWaalsContact O-CG1 3.31Å; V457-I461 WeakPolarHBondContact O-CG1 3.35Å; V457-I461 PolarHBondContact O-N 3.41Å
458	R	93.4	Very high	92	Very high	166 Å²	166	83.6 Å²	83.6	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-61.4	-39.9	176.5	-70.4	178	67.7	-171.4	1.7	112.3	F452 N454 H455 K462	F452-R458 WeakPolarHBondContact O-CD 3.28Å; N454-R458 WeakPolarHBondContact O-CG 3.45Å; N454-R458 PolarHBondContact O-N 2.97Å; H455-R458 PolarHBondContact O-N 3.12Å; R458-K462 WeakPolarHBondContact O-CB 3.45Å; R458-K462 PolarHBondContact O-N 2.87Å
459	A	93.7	Very high	92	Very high	37 Å²	37	83.8 Å²	83.8	31%	0.306	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-44.1	177.4	0	0	0	0	0	111.3	H455 E456 V457 K462 R463	H455-A459 VanDerWaalsContact O-CB 3.23Å; H455-A459 WeakPolarHBondContact O-CB 3.46Å; H455-A459 PolarHBondContact O-N 3.42Å; E456-A459 PolarHBondContact O-N 3.43Å; V457-A459 VanDerWaalsContact C-N 3.32Å; V457-A459 PolarHBondContact O-N 2.93Å; A459-K462 PolarHBondContact O-N 3.12Å; A459-R463 WeakPolarHBondContact O-CB 3.38Å; A459-R463 VanDerWaalsContact O-CG 3.23Å; A459-R463 WeakPolarHBondContact O-CG 3.46Å; A459-R463 PolarHBondContact O-N 3.36Å
460	E	92.9	Very high	92.1	Very high	25 Å²	25	87.5 Å²	87.5	12%	0.117	40%	0.395	C	S	.	.	H	α-helix	trans	-65.6	-41.1	176.9	-74.3	-57.3	126.6	0	0	112.6	R212 L213 E456 V457 K462 R463 C464	R212-E460 VanDerWaalsContact CD-OE2 3.31Å; R212-E460 WeakPolarHBondContact CD-OE2 3.2Å; R212-E460 IonicContact NH1-OE2 3.9Å; L213-E460 HydrophobicContact CD2-CG 4.09Å; E456-E460 PolarHBondContact O-N 2.91Å; V457-E460 PolarHBondContact O-N 2.68Å; E460-K462 PolarHBondContact O-N 2.96Å; E460-R463 PolarHBondContact O-N 3.24Å; E460-R463 WeakPolarHBondContact OE1-CD 3.37Å; E460-R463 IonicContact OE1-CZ 3.62Å; E460-R463 IonicContact OE1-NE 3.91Å; E460-R463 IonicContact OE1-NH1 2.68Å; E460-R463 PolarHBondContact OE1-NH1 3.37Å; E460-C464 WeakPolarHBondContact O-CB 3.48Å; E460-C464 PolarHBondContact O-N 3.41Å
461	I	92.8	Very high	92.1	Very high	69 Å²	69	90.5 Å²	90.5	35%	0.354	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-46.6	173.4	-68	168.4	0	0	0	110.2	I206 F210 V457 R463 C464 W465	I206-I461 HydrophobicContact CD1-CD1 4.37Å; I206-I461 HydrophobicContact CG2-CD1 4.25Å; F210-I461 HydrophobicContact CE2-CG1 3.84Å; F210-I461 HydrophobicContact CZ-CG1 4.1Å; V457-I461 HydrophobicContact CG1-CD1 3.91Å; V457-I461 VanDerWaalsContact O-CG1 3.31Å; V457-I461 WeakPolarHBondContact O-CG1 3.35Å; V457-I461 PolarHBondContact O-N 3.41Å; I461-R463 PolarHBondContact O-N 2.98Å; I461-C464 PolarHBondContact O-N 2.95Å; I461-W465 WeakPolarHBondContact O-CB 3.29Å; I461-W465 PolarHBondContact O-N 3.18Å
462	K	93.4	Very high	91.8	Very high	130 Å²	130	98.8 Å²	98.8	57%	0.565	45%	0.449	S	S	*	.	H	α-helix	trans	-61.5	-44.1	178.2	-173.7	179.2	179.7	-177.6	0	111.6	R458 A459 E460 C464 W465 Q466	R458-K462 WeakPolarHBondContact O-CB 3.45Å; R458-K462 PolarHBondContact O-N 2.87Å; A459-K462 PolarHBondContact O-N 3.12Å; E460-K462 PolarHBondContact O-N 2.96Å; K462-C464 PolarHBondContact O-N 3.08Å; K462-W465 PolarHBondContact O-N 3.45Å; K462-Q466 HydrophobicContact CG-CG 4.47Å; K462-Q466 WeakPolarHBondContact O-CB 3.01Å; K462-Q466 VanDerWaalsContact O-CG 3.28Å; K462-Q466 WeakPolarHBondContact O-CG 3.19Å; K462-Q466 PolarHBondContact O-N 3.1Å
463	R	92.5	Very high	91.5	Very high	138 Å²	138	100.9 Å²	100.9	52%	0.521	46%	0.464	S	S	.	.	H	α-helix	trans	-59.7	-45.2	175.8	-75.5	169	179.3	179	-0.7	111.4	A459 E460 I461 Q466 R467	A459-R463 WeakPolarHBondContact O-CB 3.38Å; A459-R463 VanDerWaalsContact O-CG 3.23Å; A459-R463 WeakPolarHBondContact O-CG 3.46Å; A459-R463 PolarHBondContact O-N 3.36Å; E460-R463 PolarHBondContact O-N 3.24Å; E460-R463 WeakPolarHBondContact OE1-CD 3.37Å; E460-R463 IonicContact OE1-CZ 3.62Å; E460-R463 IonicContact OE1-NE 3.91Å; E460-R463 IonicContact OE1-NH1 2.68Å; E460-R463 PolarHBondContact OE1-NH1 3.37Å; I461-R463 PolarHBondContact O-N 2.98Å; R463-Q466 PolarHBondContact O-N 3.33Å; R463-R467 WeakPolarHBondContact O-CB 3.39Å; R463-R467 PolarHBondContact O-N 2.82Å
464	C	90.7	Very high	91.1	Very high	38 Å²	38	102 Å²	102	26%	0.257	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.8	-175.3	0	0	0	0	111.8	F210 E460 I461 K462 R467 R468	F210-C464 HydrophobicContact CE1-CB 3.67Å; F210-C464 HydrophobicContact CZ-CB 4.17Å; E460-C464 WeakPolarHBondContact O-CB 3.48Å; E460-C464 PolarHBondContact O-N 3.41Å; I461-C464 PolarHBondContact O-N 2.95Å; K462-C464 PolarHBondContact O-N 3.08Å; C464-R467 PolarHBondContact O-N 3.04Å; C464-R468 WeakPolarHBondContact O-CG 3.39Å; C464-R468 PolarHBondContact O-N 3.49Å
465	W	92	Very high	90.4	Very high	165 Å²	165	104.3 Å²	104.3	63%	0.625	48%	0.48	S	S	*	.	H	α-helix	trans	-63.4	-45.9	177.4	-173.7	73.7	0	0	0	111.7	I461 K462 R467 R468 L469	I461-W465 WeakPolarHBondContact O-CB 3.29Å; I461-W465 PolarHBondContact O-N 3.18Å; K462-W465 PolarHBondContact O-N 3.45Å; W465-R467 PolarHBondContact O-N 3.47Å; W465-R468 PolarHBondContact O-N 2.77Å; W465-L469 HydrophobicContact CD2-CD1 3.75Å; W465-L469 HydrophobicContact CD2-CG 4.27Å; W465-L469 HydrophobicContact CE3-CD1 3.6Å; W465-L469 HydrophobicContact CH2-CD1 3.5Å; W465-L469 HydrophobicContact CZ2-CD1 3.63Å; W465-L469 HydrophobicContact CZ2-CD2 4.45Å; W465-L469 HydrophobicContact CZ2-CG 4.37Å; W465-L469 HydrophobicContact CZ3-CD1 3.47Å; W465-L469 VanDerWaalsContact CZ3-CD1 3.47Å; W465-L469 WeakPolarHBondContact O-CG 3.48Å; W465-L469 PolarHBondContact O-N 3.29Å
466	Q	93.7	Very high	89.6	Confident	89 Å²	89	104.7 Å²	104.7	42%	0.416	48%	0.48	S	S	.	.	H	α-helix	trans	-59.4	-44.2	174.1	-74	174.6	-35.9	0	0	111.7	K462 R463 R468 L469 L470	K462-Q466 HydrophobicContact CG-CG 4.47Å; K462-Q466 WeakPolarHBondContact O-CB 3.01Å; K462-Q466 VanDerWaalsContact O-CG 3.28Å; K462-Q466 WeakPolarHBondContact O-CG 3.19Å; K462-Q466 PolarHBondContact O-N 3.1Å; R463-Q466 PolarHBondContact O-N 3.33Å; Q466-R468 VanDerWaalsContact C-N 3.34Å; Q466-R468 PolarHBondContact O-N 3.21Å; Q466-L469 PolarHBondContact O-N 2.98Å; Q466-L470 WeakPolarHBondContact O-CG 3.34Å; Q466-L470 PolarHBondContact O-N 3.28Å
467	R	91.4	Very high	88.3	Confident	184 Å²	184	105.9 Å²	105.9	69%	0.694	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-41.8	175.3	-175.3	178	177	-176.7	0.2	112	R463 C464 W465 L470 L471	R463-R467 WeakPolarHBondContact O-CB 3.39Å; R463-R467 PolarHBondContact O-N 2.82Å; C464-R467 PolarHBondContact O-N 3.04Å; W465-R467 PolarHBondContact O-N 3.47Å; R467-L470 PolarHBondContact O-N 2.94Å; R467-L471 HydrophobicContact CG-CD1 4.14Å; R467-L471 WeakPolarHBondContact O-CB 3.27Å; R467-L471 VanDerWaalsContact O-CG 3.28Å; R467-L471 WeakPolarHBondContact O-CG 3.34Å; R467-L471 PolarHBondContact O-N 3.32Å
468	R	91.5	Very high	86.9	Confident	161 Å²	161	110.7 Å²	110.7	61%	0.608	53%	0.525	S	S	*	.	H	α-helix	trans	-66	-39.2	176.4	-74.5	-177.5	-179.3	-133.1	3.1	112.4	C464 W465 Q466 L471 K472	C464-R468 WeakPolarHBondContact O-CG 3.39Å; C464-R468 PolarHBondContact O-N 3.49Å; W465-R468 PolarHBondContact O-N 2.77Å; Q466-R468 VanDerWaalsContact C-N 3.34Å; Q466-R468 PolarHBondContact O-N 3.21Å; R468-L471 PolarHBondContact O-N 2.91Å; R468-K472 WeakPolarHBondContact O-CB 3.46Å; R468-K472 PolarHBondContact O-N 3.21Å
469	L	93.1	Very high	85.2	Confident	65 Å²	65	108.6 Å²	108.6	34%	0.34	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-44.9	174.6	-71.9	176.9	0	0	0	111.7	W465 Q466 L471 K472 N473	W465-L469 HydrophobicContact CD2-CD1 3.75Å; W465-L469 HydrophobicContact CD2-CG 4.27Å; W465-L469 HydrophobicContact CE3-CD1 3.6Å; W465-L469 HydrophobicContact CH2-CD1 3.5Å; W465-L469 HydrophobicContact CZ2-CD1 3.63Å; W465-L469 HydrophobicContact CZ2-CD2 4.45Å; W465-L469 HydrophobicContact CZ2-CG 4.37Å; W465-L469 HydrophobicContact CZ3-CD1 3.47Å; W465-L469 VanDerWaalsContact CZ3-CD1 3.47Å; W465-L469 WeakPolarHBondContact O-CG 3.48Å; W465-L469 PolarHBondContact O-N 3.29Å; Q466-L469 PolarHBondContact O-N 2.98Å; L469-L471 PolarHBondContact O-N 3.17Å; L469-K472 PolarHBondContact O-N 3.41Å; L469-N473 VanDerWaalsContact O-CG 3.26Å; L469-N473 PolarHBondContact O-N 3.19Å; L469-N473 PolarHBondContact O-ND2 3.42Å
470	L	91.5	Very high	83.5	Confident	117 Å²	117	108.9 Å²	108.9	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-60.4	-45.9	175.8	-70.5	172.8	0	0	0	111.3	Q466 R467 K472 N473 I474	Q466-L470 WeakPolarHBondContact O-CG 3.34Å; Q466-L470 PolarHBondContact O-N 3.28Å; R467-L470 PolarHBondContact O-N 2.94Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.49Å; L470-N473 PolarHBondContact O-N 3.1Å; L470-N473 VanDerWaalsContact O-N 3.11Å; L470-I474 WeakPolarHBondContact O-CG1 3.47Å; L470-I474 PolarHBondContact O-N 3.16Å
471	L	90.1	Very high	82	Confident	104 Å²	104	111.1 Å²	111.1	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-62.4	-34.7	176	-72.9	167.3	0	0	0	113.1	R467 R468 L469 N473 I474	R467-L471 HydrophobicContact CG-CD1 4.14Å; R467-L471 WeakPolarHBondContact O-CB 3.27Å; R467-L471 VanDerWaalsContact O-CG 3.28Å; R467-L471 WeakPolarHBondContact O-CG 3.34Å; R467-L471 PolarHBondContact O-N 3.32Å; R468-L471 PolarHBondContact O-N 2.91Å; L469-L471 PolarHBondContact O-N 3.17Å; L471-N473 VanDerWaalsContact C-N 3.29Å; L471-I474 HydrophobicContact CD2-CD1 4.27Å; L471-I474 PolarHBondContact O-N 3.26Å
472	K	88.8	Confident	80.4	Confident	175 Å²	175	112.4 Å²	112.4	76%	0.761	55%	0.549	S	S	*	.	H	α-helix	trans	-68.9	-29.6	175.2	-174	179.2	176.7	-175.6	0	112.3	R468 L469 L470	R468-K472 WeakPolarHBondContact O-CB 3.46Å; R468-K472 PolarHBondContact O-N 3.21Å; L469-K472 PolarHBondContact O-N 3.41Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-K472 PolarHBondContact O-N 3.49Å
473	N	86	Confident	78.8	Confident	122 Å²	122	112.5 Å²	112.5	65%	0.652	55%	0.551	S	S	*	*	H	α-helix	trans	-85.2	-11.6	179.5	-66.3	-16.7	0	0	0	113.3	L469 L470 L471 P475	L469-N473 VanDerWaalsContact O-CG 3.26Å; L469-N473 PolarHBondContact O-N 3.19Å; L469-N473 PolarHBondContact O-ND2 3.42Å; L470-N473 PolarHBondContact O-N 3.1Å; L470-N473 VanDerWaalsContact O-N 3.11Å; L471-N473 VanDerWaalsContact C-N 3.29Å; N473-P475 WeakPolarHBondContact O-CD 3.4Å
474	I	81.3	Confident	77.3	Confident	108 Å²	108	112.7 Å²	112.7	55%	0.554	56%	0.558	S	S	*	*	S	Bend	trans	-73.3	123.5	172.2	-66.1	170.5	0	0	0	107.8	L470 L471 K476	L470-I474 WeakPolarHBondContact O-CG1 3.47Å; L470-I474 PolarHBondContact O-N 3.16Å; L471-I474 HydrophobicContact CD2-CD1 4.27Å; L471-I474 PolarHBondContact O-N 3.26Å; I474-K476 PolarHBondContact O-N 3.28Å
475	P	75.6	Confident	76.1	Confident	77 Å²	77	114.1 Å²	114.1	50%	0.5	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-56.3	138.4	177.1	-20.9	30.5	0	0	0	110.6	N473 A480	N473-P475 WeakPolarHBondContact O-CD 3.4Å; P475-A480 HydrophobicContact CB-CB 4.28Å
476	K	72.8	Confident	74.9	Confident	143 Å²	143	110 Å²	110	62%	0.622	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-58.7	143.2	174	-69.1	177	-177.8	171.9	0	108.5	I474 T478 E479 A480	I474-K476 PolarHBondContact O-N 3.28Å; K476-T478 PolarHBondContact O-N 2.95Å; K476-E479 WeakPolarHBondContact O-CA 3.19Å; K476-E479 PolarHBondContact O-N 3.5Å; K476-A480 PolarHBondContact O-N 3.13Å
477	P	64.4	Low	73.6	Confident	110 Å²	110	108.3 Å²	108.3	71%	0.714	55%	0.551	S	S	*	*	H	α-helix	trans	-51.5	-33.4	-177.4	-27	32.9	0	0	0	113.4	A480 C481	P477-A480 PolarHBondContact O-N 3.37Å; P477-C481 WeakPolarHBondContact O-CB 3.39Å; P477-C481 PolarHBondContact O-N 3.09Å
478	T	63.3	Low	72.4	Confident	102 Å²	102	101.9 Å²	101.9	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-65.2	-37.1	175.1	11	0	0	0	0	113.4	K476 N482	K476-T478 PolarHBondContact O-N 2.95Å; T478-N482 WeakPolarHBondContact O-CB 3.35Å; T478-N482 PolarHBondContact O-N 3.07Å; T478-N482 VanDerWaalsContact O-N 3.12Å; T478-N482 PolarHBondContact O-ND2 3.03Å
479	E	58.1	Low	71.4	Confident	122 Å²	122	102.7 Å²	102.7	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-78.7	-37.8	175.1	-73.8	172.6	-179.3	0	0	111.9	K476 N482 H483	K476-E479 WeakPolarHBondContact O-CA 3.19Å; K476-E479 PolarHBondContact O-N 3.5Å; E479-N482 PolarHBondContact O-N 3.25Å; E479-H483 WeakPolarHBondContact O-CB 3.3Å; E479-H483 PolarHBondContact O-N 2.89Å
480	A	57.7	Low	70.4	Confident	43 Å²	43	105.9 Å²	105.9	36%	0.355	55%	0.55	S	S	.	*	H	α-helix	trans	-64.9	-41.6	175.5	0	0	0	0	0	111.8	P475 K476 P477 H483 H484	P475-A480 HydrophobicContact CB-CB 4.28Å; K476-A480 PolarHBondContact O-N 3.13Å; P477-A480 PolarHBondContact O-N 3.37Å; A480-H483 PolarHBondContact O-N 3.38Å; A480-H484 WeakPolarHBondContact O-CB 3.19Å; A480-H484 PolarHBondContact O-N 2.95Å
481	C	62	Low	69.6	Low	72 Å²	72	107 Å²	107	49%	0.486	55%	0.551	S	S	.	*	H	α-helix	trans	-68	-40.6	175.9	-148.2	0	0	0	0	110.6	P477 H483 H484 I485	P477-C481 WeakPolarHBondContact O-CB 3.39Å; P477-C481 PolarHBondContact O-N 3.09Å; C481-H483 VanDerWaalsContact C-N 3.32Å; C481-H483 PolarHBondContact O-N 3.47Å; C481-H484 PolarHBondContact O-N 2.94Å; C481-I485 WeakPolarHBondContact O-CB 3.48Å; C481-I485 WeakPolarHBondContact O-CD1 3.34Å; C481-I485 WeakPolarHBondContact O-CG1 3.32Å; C481-I485 PolarHBondContact O-N 3.48Å
482	N	59.3	Low	68.9	Low	95 Å²	95	106.7 Å²	106.7	51%	0.508	55%	0.549	S	S	.	.	H	α-helix	trans	-61.3	-40	171.5	-74	-12.5	0	0	0	111.9	T478 E479 I485 V486	T478-N482 WeakPolarHBondContact O-CB 3.35Å; T478-N482 PolarHBondContact O-N 3.07Å; T478-N482 VanDerWaalsContact O-N 3.12Å; T478-N482 PolarHBondContact O-ND2 3.03Å; E479-N482 PolarHBondContact O-N 3.25Å; N482-I485 PolarHBondContact O-N 3.24Å; N482-V486 VanDerWaalsContact O-CB 3.27Å; N482-V486 WeakPolarHBondContact O-CB 2.96Å; N482-V486 WeakPolarHBondContact O-CG2 3.39Å; N482-V486 PolarHBondContact O-N 3.19Å
483	H	58.6	Low	68.2	Low	132 Å²	132	100.6 Å²	100.6	61%	0.611	53%	0.531	S	S	*	.	H	α-helix	trans	-67.6	-37.7	176.2	-154.2	-80.3	0	0	0	111.7	E479 A480 C481 T487	E479-H483 WeakPolarHBondContact O-CB 3.3Å; E479-H483 PolarHBondContact O-N 2.89Å; A480-H483 PolarHBondContact O-N 3.38Å; C481-H483 VanDerWaalsContact C-N 3.32Å; C481-H483 PolarHBondContact O-N 3.47Å; H483-T487 VanDerWaalsContact O-CB 3.3Å; H483-T487 WeakPolarHBondContact O-CB 3.49Å; H483-T487 WeakPolarHBondContact O-CG2 3.21Å; H483-T487 PolarHBondContact O-N 3.29Å; H483-T487 PolarHBondContact O-OG1 3.3Å
484	H	62	Low	67.6	Low	143 Å²	143	97.5 Å²	97.5	66%	0.662	52%	0.52	S	S	*	.	H	α-helix	trans	-69.1	-37.1	174.2	-126.3	-69	0	0	0	112.3	A480 C481 T487 S488	A480-H484 WeakPolarHBondContact O-CB 3.19Å; A480-H484 PolarHBondContact O-N 2.95Å; C481-H484 PolarHBondContact O-N 2.94Å; H484-T487 WeakPolarHBondContact CA-OG1 3.48Å; H484-T487 PolarHBondContact O-OG1 3.07Å; H484-S488 WeakPolarHBondContact O-CB 3.28Å; H484-S488 PolarHBondContact O-N 3.09Å; H484-S488 PolarHBondContact O-OG 3.02Å
485	I	64.4	Low	67.2	Low	68 Å²	68	96.1 Å²	96.1	35%	0.349	51%	0.512	S	S	.	.	H	α-helix	trans	-69.1	-41.2	174.1	-68.3	164	0	0	0	110.4	C481 N482 S488 R489	C481-I485 WeakPolarHBondContact O-CB 3.48Å; C481-I485 WeakPolarHBondContact O-CD1 3.34Å; C481-I485 WeakPolarHBondContact O-CG1 3.32Å; C481-I485 PolarHBondContact O-N 3.48Å; N482-I485 PolarHBondContact O-N 3.24Å; I485-S488 WeakPolarHBondContact CA-OG 3.27Å; I485-S488 PolarHBondContact O-OG 3.45Å; I485-R489 VanDerWaalsContact O-CB 3.23Å; I485-R489 WeakPolarHBondContact O-CB 3.35Å; I485-R489 WeakPolarHBondContact O-CG 3.43Å; I485-R489 PolarHBondContact O-N 3.19Å
486	V	66.5	Low	67.1	Low	77 Å²	77	95.9 Å²	95.9	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-70.1	-45.5	178	171.1	0	0	0	0	110.8	N482 R489 Q490	N482-V486 VanDerWaalsContact O-CB 3.27Å; N482-V486 WeakPolarHBondContact O-CB 2.96Å; N482-V486 WeakPolarHBondContact O-CG2 3.39Å; N482-V486 PolarHBondContact O-N 3.19Å; V486-R489 PolarHBondContact O-N 3.35Å; V486-Q490 WeakPolarHBondContact O-CB 3.26Å; V486-Q490 PolarHBondContact O-N 3.17Å
487	T	66.5	Low	67	Low	54 Å²	54	95.7 Å²	95.7	33%	0.331	51%	0.514	S	S	.	.	H	α-helix	trans	-66.9	-38.3	176.7	47.9	0	0	0	0	112.3	H483 H484 Q490 K491	H483-T487 VanDerWaalsContact O-CB 3.3Å; H483-T487 WeakPolarHBondContact O-CB 3.49Å; H483-T487 WeakPolarHBondContact O-CG2 3.21Å; H483-T487 PolarHBondContact O-N 3.29Å; H483-T487 PolarHBondContact O-OG1 3.3Å; H484-T487 WeakPolarHBondContact CA-OG1 3.48Å; H484-T487 PolarHBondContact O-OG1 3.07Å; T487-Q490 PolarHBondContact O-N 3.22Å; T487-K491 VanDerWaalsContact O-CB 3.29Å; T487-K491 WeakPolarHBondContact O-CB 3.43Å; T487-K491 PolarHBondContact O-N 3.42Å
488	S	67.3	Low	67.2	Low	49 Å²	49	93.2 Å²	93.2	34%	0.343	50%	0.499	S	S	.	.	H	α-helix	trans	-67.2	-39	172.3	58.2	0	0	0	0	111.9	H484 I485 K491 N492	H484-S488 WeakPolarHBondContact O-CB 3.28Å; H484-S488 PolarHBondContact O-N 3.09Å; H484-S488 PolarHBondContact O-OG 3.02Å; I485-S488 WeakPolarHBondContact CA-OG 3.27Å; I485-S488 PolarHBondContact O-OG 3.45Å; S488-K491 PolarHBondContact O-N 3.37Å; S488-N492 VanDerWaalsContact O-CB 3.28Å; S488-N492 WeakPolarHBondContact O-CB 3.41Å; S488-N492 PolarHBondContact O-N 3.13Å; S488-N492 PolarHBondContact O-OD1 3.3Å
489	R	70.3	Confident	67.5	Low	179 Å²	179	92.6 Å²	92.6	68%	0.675	49%	0.491	S	S	*	.	H	α-helix	trans	-63.2	-41.7	171.9	-80.5	177.9	175.5	172.9	-0.5	112.3	I485 V486 N492 A493	I485-R489 VanDerWaalsContact O-CB 3.23Å; I485-R489 WeakPolarHBondContact O-CB 3.35Å; I485-R489 WeakPolarHBondContact O-CG 3.43Å; I485-R489 PolarHBondContact O-N 3.19Å; V486-R489 PolarHBondContact O-N 3.35Å; R489-N492 PolarHBondContact O-N 2.91Å; R489-A493 WeakPolarHBondContact O-CB 3.49Å; R489-A493 PolarHBondContact O-N 3.41Å
490	Q	72.5	Confident	67.8	Low	131 Å²	131	93.4 Å²	93.4	61%	0.612	49%	0.493	S	S	*	.	H	α-helix	trans	-65.1	-42.4	174.5	-98.9	178.1	-39.2	0	0	111.8	V486 T487 N492 A493 S494	V486-Q490 WeakPolarHBondContact O-CB 3.26Å; V486-Q490 PolarHBondContact O-N 3.17Å; T487-Q490 PolarHBondContact O-N 3.22Å; Q490-N492 VanDerWaalsContact C-N 3.35Å; Q490-A493 PolarHBondContact O-N 3.45Å; Q490-S494 WeakPolarHBondContact O-CB 3.49Å; Q490-S494 PolarHBondContact O-N 3.49Å; Q490-S494 PolarHBondContact O-OG 2.99Å
491	K	75	Confident	67.7	Low	142 Å²	142	94.7 Å²	94.7	62%	0.617	50%	0.499	S	S	*	.	H	α-helix	trans	-66.1	-39.2	177.2	-157.8	176.1	-173.5	-179.3	0	111.4	T487 S488 S494 I495	T487-K491 VanDerWaalsContact O-CB 3.29Å; T487-K491 WeakPolarHBondContact O-CB 3.43Å; T487-K491 PolarHBondContact O-N 3.42Å; S488-K491 PolarHBondContact O-N 3.37Å; K491-S494 WeakPolarHBondContact CA-OG 3.49Å; K491-S494 PolarHBondContact O-N 3.37Å; K491-S494 PolarHBondContact O-OG 3.38Å; K491-I495 HydrophobicContact CG-CD1 4.34Å; K491-I495 WeakPolarHBondContact O-CB 3.24Å; K491-I495 WeakPolarHBondContact O-CD1 3.45Å; K491-I495 WeakPolarHBondContact O-CG1 3.41Å; K491-I495 PolarHBondContact O-N 2.99Å
492	N	75.2	Confident	67.5	Low	96 Å²	96	98.7 Å²	98.7	51%	0.513	51%	0.511	S	S	.	.	H	α-helix	trans	-70.4	-36.2	174.8	-69.4	-2.9	0	0	0	111.7	S488 R489 Q490 S496	S488-N492 VanDerWaalsContact O-CB 3.28Å; S488-N492 WeakPolarHBondContact O-CB 3.41Å; S488-N492 PolarHBondContact O-N 3.13Å; S488-N492 PolarHBondContact O-OD1 3.3Å; R489-N492 PolarHBondContact O-N 2.91Å; Q490-N492 VanDerWaalsContact C-N 3.35Å; N492-S496 VanDerWaalsContact O-CB 3.26Å; N492-S496 WeakPolarHBondContact O-CB 3.02Å; N492-S496 PolarHBondContact O-N 2.92Å; N492-S496 PolarHBondContact O-OG 2.96Å
493	A	73	Confident	67.2	Low	47 Å²	47	101.3 Å²	101.3	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-67.7	-40.4	173.1	0	0	0	0	0	111.4	R489 Q490 S496 Q497	R489-A493 WeakPolarHBondContact O-CB 3.49Å; R489-A493 PolarHBondContact O-N 3.41Å; Q490-A493 PolarHBondContact O-N 3.45Å; A493-S496 CarbonylContact O-C 3.58Å; A493-S496 PolarHBondContact O-N 3.35Å; A493-Q497 VanDerWaalsContact O-CB 3.31Å; A493-Q497 WeakPolarHBondContact O-CB 3.19Å; A493-Q497 VanDerWaalsContact O-CG 3.31Å; A493-Q497 WeakPolarHBondContact O-CG 3.31Å; A493-Q497 PolarHBondContact O-N 2.89Å
494	S	73	Confident	66.6	Low	58 Å²	58	99.3 Å²	99.3	41%	0.406	51%	0.511	S	S	.	.	H	α-helix	trans	-68.4	-37.8	175.5	67.1	0	0	0	0	111.7	Q490 K491 Q497 S498	Q490-S494 WeakPolarHBondContact O-CB 3.49Å; Q490-S494 PolarHBondContact O-N 3.49Å; Q490-S494 PolarHBondContact O-OG 2.99Å; K491-S494 WeakPolarHBondContact CA-OG 3.49Å; K491-S494 PolarHBondContact O-N 3.37Å; K491-S494 PolarHBondContact O-OG 3.38Å; S494-Q497 CarbonylContact O-C 3.59Å; S494-Q497 PolarHBondContact O-N 3.45Å; S494-S498 WeakPolarHBondContact O-CB 3.32Å; S494-S498 PolarHBondContact O-N 3.38Å; S494-S498 PolarHBondContact O-OG 3.48Å
495	I	74.7	Confident	65.9	Low	79 Å²	79	96.4 Å²	96.4	41%	0.405	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-42.6	171.8	-70.3	163.8	0	0	0	110.1	K491 Q497 S498 I499	K491-I495 HydrophobicContact CG-CD1 4.34Å; K491-I495 WeakPolarHBondContact O-CB 3.24Å; K491-I495 WeakPolarHBondContact O-CD1 3.45Å; K491-I495 WeakPolarHBondContact O-CG1 3.41Å; K491-I495 PolarHBondContact O-N 2.99Å; I495-Q497 VanDerWaalsContact C-N 3.32Å; I495-Q497 PolarHBondContact O-N 2.67Å; I495-S498 VanDerWaalsContact CA-OG 3.31Å; I495-S498 WeakPolarHBondContact CA-OG 3Å; I495-S498 PolarHBondContact O-N 3.14Å; I495-S498 PolarHBondContact O-OG 3.44Å; I495-I499 HydrophobicContact CG2-CD1 3.77Å; I495-I499 HydrophobicContact CG2-CG1 4.41Å; I495-I499 WeakPolarHBondContact O-CB 3.09Å; I495-I499 WeakPolarHBondContact O-CG1 3.41Å; I495-I499 PolarHBondContact O-N 2.97Å
496	S	71.6	Confident	65.2	Low	72 Å²	72	97.6 Å²	97.6	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-38.4	176.8	-59.8	0	0	0	0	111.3	N492 A493 K500	N492-S496 VanDerWaalsContact O-CB 3.26Å; N492-S496 WeakPolarHBondContact O-CB 3.02Å; N492-S496 PolarHBondContact O-N 2.92Å; N492-S496 PolarHBondContact O-OG 2.96Å; A493-S496 CarbonylContact O-C 3.58Å; A493-S496 PolarHBondContact O-N 3.35Å; S496-K500 WeakPolarHBondContact O-CB 3.35Å; S496-K500 PolarHBondContact O-N 3.28Å
497	Q	71.3	Confident	63.7	Low	138 Å²	138	100.7 Å²	100.7	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-70.8	-34.5	173.7	-79	178.2	-22.6	0	0	112.3	A493 S494 I495 K500 S501	A493-Q497 VanDerWaalsContact O-CB 3.31Å; A493-Q497 WeakPolarHBondContact O-CB 3.19Å; A493-Q497 VanDerWaalsContact O-CG 3.31Å; A493-Q497 WeakPolarHBondContact O-CG 3.31Å; A493-Q497 PolarHBondContact O-N 2.89Å; S494-Q497 CarbonylContact O-C 3.59Å; S494-Q497 PolarHBondContact O-N 3.45Å; I495-Q497 VanDerWaalsContact C-N 3.32Å; I495-Q497 PolarHBondContact O-N 2.67Å; Q497-K500 PolarHBondContact O-N 3.37Å; Q497-S501 WeakPolarHBondContact O-CA 3.46Å; Q497-S501 WeakPolarHBondContact O-CB 3.15Å; Q497-S501 PolarHBondContact O-N 3.04Å
498	S	69.4	Low	62	Low	59 Å²	59	102.2 Å²	102.2	41%	0.413	56%	0.557	S	S	.	*	H	α-helix	trans	-71.7	-34.7	173.9	62.4	0	0	0	0	111.4	S494 I495 Q502	S494-S498 WeakPolarHBondContact O-CB 3.32Å; S494-S498 PolarHBondContact O-N 3.38Å; S494-S498 PolarHBondContact O-OG 3.48Å; I495-S498 VanDerWaalsContact CA-OG 3.31Å; I495-S498 WeakPolarHBondContact CA-OG 3Å; I495-S498 PolarHBondContact O-N 3.14Å; I495-S498 PolarHBondContact O-OG 3.44Å; S498-Q502 WeakPolarHBondContact O-CB 3.39Å; S498-Q502 PolarHBondContact O-N 3.41Å
499	I	68.5	Low	60.2	Low	88 Å²	88	108.9 Å²	108.9	45%	0.451	58%	0.583	S	S	.	*	H	α-helix	trans	-68.6	-43.5	172	-68.4	166.6	0	0	0	110.4	I495 Q502 K503	I495-I499 HydrophobicContact CG2-CD1 3.77Å; I495-I499 HydrophobicContact CG2-CG1 4.41Å; I495-I499 WeakPolarHBondContact O-CB 3.09Å; I495-I499 WeakPolarHBondContact O-CG1 3.41Å; I495-I499 PolarHBondContact O-N 2.97Å; I499-Q502 PolarHBondContact O-N 3.27Å; I499-K503 PolarHBondContact O-N 3.37Å
500	K	64.5	Low	58.6	Low	139 Å²	139	105.2 Å²	105.2	60%	0.604	58%	0.583	S	S	*	*	H	α-helix	trans	-64.7	-43.9	174.2	-116.2	-177.4	174.5	-174.5	0	111.1	S496 Q497 Q502 K503 D504	S496-K500 WeakPolarHBondContact O-CB 3.35Å; S496-K500 PolarHBondContact O-N 3.28Å; Q497-K500 PolarHBondContact O-N 3.37Å; K500-Q502 VanDerWaalsContact C-N 3.35Å; K500-Q502 PolarHBondContact O-N 2.92Å; K500-K503 CarbonylContact O-C 3.3Å; K500-K503 WeakPolarHBondContact O-CA 3.44Å; K500-K503 WeakPolarHBondContact O-CB 3.42Å; K500-K503 PolarHBondContact O-N 3.33Å; K500-D504 VanDerWaalsContact O-CB 3.27Å; K500-D504 WeakPolarHBondContact O-CB 3.3Å; K500-D504 PolarHBondContact O-N 2.89Å
501	S	56.4	Low	56.4	Low	70 Å²	70	104 Å²	104	49%	0.49	59%	0.588	S	S	.	*	H	α-helix	trans	-63.7	-35.9	174.8	165.9	0	0	0	0	112	Q497 K503 D504 A505	Q497-S501 WeakPolarHBondContact O-CA 3.46Å; Q497-S501 WeakPolarHBondContact O-CB 3.15Å; Q497-S501 PolarHBondContact O-N 3.04Å; S501-K503 VanDerWaalsContact C-N 3.29Å; S501-K503 PolarHBondContact O-N 2.89Å; S501-D504 PolarHBondContact O-N 3Å; S501-A505 WeakPolarHBondContact O-CA 3.31Å; S501-A505 WeakPolarHBondContact O-CB 3.42Å; S501-A505 PolarHBondContact O-N 2.94Å
502	Q	57.5	Low	54	Low	156 Å²	156	104 Å²	104	73%	0.729	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-34.6	170.1	-95.5	-174.8	-56.1	0	0	112.1	S498 I499 K500 S506	S498-Q502 WeakPolarHBondContact O-CB 3.39Å; S498-Q502 PolarHBondContact O-N 3.41Å; I499-Q502 PolarHBondContact O-N 3.27Å; K500-Q502 VanDerWaalsContact C-N 3.35Å; K500-Q502 PolarHBondContact O-N 2.92Å; Q502-S506 PolarHBondContact O-OG 3.16Å
503	K	53.1	Low	51.5	Low	151 Å²	151	106.7 Å²	106.7	66%	0.657	61%	0.61	S	S	*	*	H	α-helix	trans	-74.1	-41.9	175	-80.8	-176.6	172.9	-178.3	0	112.5	I499 K500 S501 S506	I499-K503 PolarHBondContact O-N 3.37Å; K500-K503 CarbonylContact O-C 3.3Å; K500-K503 WeakPolarHBondContact O-CA 3.44Å; K500-K503 WeakPolarHBondContact O-CB 3.42Å; K500-K503 PolarHBondContact O-N 3.33Å; S501-K503 VanDerWaalsContact C-N 3.29Å; S501-K503 PolarHBondContact O-N 2.89Å; K503-S506 VanDerWaalsContact O-CB 3.24Å; K503-S506 WeakPolarHBondContact O-CB 3.36Å; K503-S506 PolarHBondContact O-OG 3.11Å
504	D	46	Very low	49.3	Very low	89 Å²	89	110.4 Å²	110.4	48%	0.476	63%	0.627	S	S	.	*	H	α-helix	trans	-89.4	-22.4	-171.9	-59.9	-25.3	0	0	0	111.8	K500 S501 S506 I507	K500-D504 VanDerWaalsContact O-CB 3.27Å; K500-D504 WeakPolarHBondContact O-CB 3.3Å; K500-D504 PolarHBondContact O-N 2.89Å; S501-D504 PolarHBondContact O-N 3Å; D504-S506 PolarHBondContact O-N 3.23Å; D504-S506 VanDerWaalsContact O-N 3.1Å; D504-I507 CarbonylContact O-C 3.56Å; D504-I507 WeakPolarHBondContact O-CA 3.41Å; D504-I507 PolarHBondContact O-N 3.06Å
505	A	47.3	Very low	47.1	Very low	83 Å²	83	112.2 Å²	112.2	69%	0.686	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-4.2	168.6	0	0	0	0	0	112.7	S501	S501-A505 WeakPolarHBondContact O-CA 3.31Å; S501-A505 WeakPolarHBondContact O-CB 3.42Å; S501-A505 PolarHBondContact O-N 2.94Å
506	S	49	Very low	45	Very low	93 Å²	93	115 Å²	115	65%	0.65	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-8.5	161.6	-34.5	0	0	0	0	112.7	Q502 K503 D504	Q502-S506 PolarHBondContact O-OG 3.16Å; K503-S506 VanDerWaalsContact O-CB 3.24Å; K503-S506 WeakPolarHBondContact O-CB 3.36Å; K503-S506 PolarHBondContact O-OG 3.11Å; D504-S506 PolarHBondContact O-N 3.23Å; D504-S506 VanDerWaalsContact O-N 3.1Å
507	I	36.1	Very low	42.8	Very low	141 Å²	141	118.4 Å²	118.4	72%	0.723	67%	0.673	S	S	*	*	S	Bend	trans	-141.1	109	-176.5	-55	-178.6	0	0	0	110.3	D504	D504-I507 CarbonylContact O-C 3.56Å; D504-I507 WeakPolarHBondContact O-CA 3.41Å; D504-I507 PolarHBondContact O-N 3.06Å
508	A	31.2	Very low	41	Very low	87 Å²	87	119.5 Å²	119.5	72%	0.719	68%	0.682	S	S	*	*			trans	-39.3	154.4	-177.3	0	0	0	0	0	121
509	Q	29.7	Very low	39.3	Very low	189 Å²	189	122 Å²	122	88%	0.883	70%	0.697	S	S	*	*			trans	90.1	152.7	138.8	-72.4	-108.9	-49.4	0	0	120.6
510	P	34.8	Very low	37.3	Very low	102 Å²	102	121.3 Å²	121.3	66%	0.662	71%	0.711	S	S	*	*			trans	-116.3	169.4	-131.1	42.7	-34.9	0	0	0	115.6
511	S	26.5	Very low	35.6	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	73%	0.727	S	S	*	*			trans	172.5	129.1	139.2	31.9	0	0	0	0	114
512	D	24.6	Very low	34.6	Very low	143 Å²	143	129.7 Å²	129.7	77%	0.765	74%	0.744	S	S	*	*			trans	55.3	121.5	130	-49.9	-23.4	0	0	0	123.9
513	D	24.2	Very low	33.5	Very low	152 Å²	152	128 Å²	128	81%	0.813	74%	0.74	S	S	*	*				94.1	137.1	121.3	-92.1	-15.7	0	0	0	124.6
514	V	26.1	Very low	32.8	Very low	124 Å²	124	128.6 Å²	128.6	75%	0.752	75%	0.745	S	S	*	*			trans	97.2	118.4	146.9	-179.6	0	0	0	0	120.3
515	S	26.8	Very low	32.5	Very low	97 Å²	97	126.8 Å²	126.8	68%	0.678	74%	0.739	S	S	*	*			trans	-49.9	148.2	165.2	55	0	0	0	0	116.8
516	V	30.2	Very low	32.1	Very low	136 Å²	136	130.7 Å²	130.7	82%	0.824	74%	0.741	S	S	*	*			trans	-140.4	114	153.9	179.4	0	0	0	0	111	L518	V516-L518 HydrophobicContact CG1-CD1 4.38Å
517	N	25.9	Very low	31.6	Very low	145 Å²	145	135 Å²	135	78%	0.775	74%	0.743	S	S	*	*			trans	-70.3	148.7	162.3	-73.4	-54.8	0	0	0	110.9
518	L	34.6	Very low	31.7	Very low	160 Å²	160	136.1 Å²	136.1	84%	0.838	74%	0.742	S	S	*	*			trans	-163.4	162.9	157.9	-126.6	86.4	0	0	0	111.3	V516	V516-L518 HydrophobicContact CG1-CD1 4.38Å
519	P	32.8	Very low	32.2	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	73%	0.731	S	S	*	*				-132.4	168.8	-97	40.9	-24.3	0	0	0	115.6
520	G	26.2	Very low	32.7	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	72%	0.717	S	S	*	*				86.9	76.5	124.3	0	0	0	0	0	119.1	T522	G520-T522 PolarHBondContact O-N 3.16Å
521	R	28.9	Very low	32.8	Very low	247 Å²	247	135.5 Å²	135.5	93%	0.932	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60.6	120.4	161.8	-174.9	176.7	-174.3	171.9	1.5	110.9	D523	R521-D523 PolarHBondContact O-N 2.96Å
522	T	35.2	Very low	33.6	Very low	138 Å²	138	140.3 Å²	140.3	85%	0.847	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.5	175.9	47.1	0	0	0	0	111.6	G520	G520-T522 PolarHBondContact O-N 3.16Å
523	D	34.2	Very low	34.4	Very low	121 Å²	121	140.4 Å²	140.4	65%	0.647	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-79.8	124.8	-170.4	-172.5	8.9	0	0	0	113	R521 S525	R521-D523 PolarHBondContact O-N 2.96Å; D523-S525 PolarHBondContact O-N 2.72Å; D523-S525 WeakPolarHBondContact OD1-CB 3.35Å; D523-S525 PolarHBondContact OD1-N 2.82Å; D523-S525 VanDerWaalsContact OD1-N 3.16Å; D523-S525 PolarHBondContact OD1-OG 2.6Å; D523-S525 WeakPolarHBondContact OD2-CB 3.11Å; D523-S525 PolarHBondContact OD2-OG 2.77Å
524	H	38.1	Very low	35.3	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.755	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	4.9	-179.5	-148.3	-74	0	0	0	112.3
525	S	41	Very low	36	Very low	52 Å²	52	132.9 Å²	132.9	36%	0.364	68%	0.68	S	S	.	*	H	α-helix	trans	-74.4	-29.3	-176.8	75.3	0	0	0	0	114.4	D523 W527 K528 T529	D523-S525 PolarHBondContact O-N 2.72Å; D523-S525 WeakPolarHBondContact OD1-CB 3.35Å; D523-S525 PolarHBondContact OD1-N 2.82Å; D523-S525 VanDerWaalsContact OD1-N 3.16Å; D523-S525 PolarHBondContact OD1-OG 2.6Å; D523-S525 WeakPolarHBondContact OD2-CB 3.11Å; D523-S525 PolarHBondContact OD2-OG 2.77Å; S525-W527 PolarHBondContact O-N 3.28Å; S525-K528 PolarHBondContact O-N 3.46Å; S525-T529 PolarHBondContact O-OG1 2.02Å
526	K	38.6	Very low	36.6	Very low	165 Å²	165	131.2 Å²	131.2	72%	0.717	67%	0.668	S	S	*	*	H	α-helix	trans	-62	-36.3	-176.2	-85.3	-175.3	177.2	178.1	0	114.3	L530	K526-L530 PolarHBondContact O-N 2.86Å
527	W	38.5	Very low	37	Very low	183 Å²	183	132.9 Å²	132.9	69%	0.693	66%	0.664	S	S	*	*	H	α-helix	trans	-71.9	-35.3	-176.9	-93.3	88.4	0	0	0	113.4	S525 T529 W531	S525-W527 PolarHBondContact O-N 3.28Å; W527-T529 VanDerWaalsContact C-N 3.34Å; W527-W531 AromaticContact CE3-CD1 3.98Å; W527-W531 PolarHBondContact O-N 2.96Å; W527-W531 VanDerWaalsContact O-N 3.12Å
528	K	37.5	Very low	37.6	Very low	164 Å²	164	132.9 Å²	132.9	71%	0.713	66%	0.662	S	S	*	*	H	α-helix	trans	-67.4	-36.5	177.2	-87.3	-177.8	173.9	178.1	0	111.7	S525 R532	S525-K528 PolarHBondContact O-N 3.46Å; K528-R532 PolarHBondContact O-N 3.06Å; K528-R532 VanDerWaalsContact O-N 3.17Å
529	T	42.9	Very low	37.5	Very low	78 Å²	78	128.4 Å²	128.4	48%	0.479	65%	0.649	S	S	.	*	H	α-helix	trans	-74.2	-36.7	179.6	-35.6	0	0	0	0	111.9	S525 W527 R532 K533	S525-T529 PolarHBondContact O-OG1 2.02Å; W527-T529 VanDerWaalsContact C-N 3.34Å; T529-R532 PolarHBondContact O-N 3.37Å; T529-K533 WeakPolarHBondContact O-CG 3.18Å; T529-K533 PolarHBondContact O-N 2.79Å
530	L	38.7	Very low	37.7	Very low	115 Å²	115	129 Å²	129	60%	0.602	65%	0.645	S	S	*	*	H	α-helix	trans	-65.5	-41.5	174.6	-82.5	165.3	0	0	0	112.2	K526 K533 G534	K526-L530 PolarHBondContact O-N 2.86Å; L530-K533 PolarHBondContact O-N 3.27Å; L530-G534 PolarHBondContact O-N 3.12Å
531	W	37.7	Very low	37.9	Very low	173 Å²	173	132.5 Å²	132.5	66%	0.655	65%	0.646	S	S	*	*	H	α-helix	trans	-64	-42.7	174.9	-102.4	82.2	0	0	0	112.7	W527 K533 G534 V535	W527-W531 AromaticContact CE3-CD1 3.98Å; W527-W531 PolarHBondContact O-N 2.96Å; W527-W531 VanDerWaalsContact O-N 3.12Å; W531-K533 PolarHBondContact O-N 3.23Å; W531-G534 PolarHBondContact O-N 3.29Å; W531-V535 HydrophobicContact CE3-CG2 3.91Å; W531-V535 HydrophobicContact CZ3-CG2 4.22Å; W531-V535 WeakPolarHBondContact O-CG2 3.16Å; W531-V535 PolarHBondContact O-N 3.21Å
532	R	43	Very low	37.9	Very low	205 Å²	205	129.8 Å²	129.8	77%	0.774	64%	0.641	S	S	*	*	H	α-helix	trans	-63.6	-39.3	175.8	-78.1	-171.9	-176.2	-161.3	1.2	112.6	K528 T529 S536	K528-R532 PolarHBondContact O-N 3.06Å; K528-R532 VanDerWaalsContact O-N 3.17Å; T529-R532 PolarHBondContact O-N 3.37Å; R532-S536 VanDerWaalsContact O-CB 3.23Å; R532-S536 WeakPolarHBondContact O-CB 3.23Å; R532-S536 PolarHBondContact O-N 3.29Å
533	K	41.3	Very low	37.6	Very low	146 Å²	146	130.3 Å²	130.3	64%	0.635	64%	0.638	S	S	*	*	H	α-helix	trans	-68.3	-35.7	175.6	-73.9	-175.3	177.6	-174.4	0	112.4	T529 L530 W531 K537	T529-K533 WeakPolarHBondContact O-CG 3.18Å; T529-K533 PolarHBondContact O-N 2.79Å; L530-K533 PolarHBondContact O-N 3.27Å; W531-K533 PolarHBondContact O-N 3.23Å; K533-K537 PolarHBondContact O-N 3.3Å
534	G	43.5	Very low	37.2	Very low	36 Å²	36	133.3 Å²	133.3	37%	0.371	65%	0.647	S	S	.	*	H	α-helix	trans	-66.2	-46.4	175.5	0	0	0	0	0	112.9	L530 W531 K537 I538	L530-G534 PolarHBondContact O-N 3.12Å; W531-G534 PolarHBondContact O-N 3.29Å; G534-K537 PolarHBondContact O-N 3.26Å; G534-I538 PolarHBondContact O-N 3.48Å
535	V	40.7	Very low	36.6	Very low	82 Å²	82	130 Å²	130	50%	0.497	65%	0.648	S	S	.	*	H	α-helix	trans	-73.1	-34.3	-179.4	179.6	0	0	0	0	111.7	W531 K537 I538 A539	W531-V535 HydrophobicContact CE3-CG2 3.91Å; W531-V535 HydrophobicContact CZ3-CG2 4.22Å; W531-V535 WeakPolarHBondContact O-CG2 3.16Å; W531-V535 PolarHBondContact O-N 3.21Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 3.09Å; V535-I538 PolarHBondContact O-N 3.3Å; V535-A539 PolarHBondContact O-N 3.01Å; V535-A539 VanDerWaalsContact O-N 3.15Å
536	S	38.4	Very low	35.8	Very low	61 Å²	61	131.7 Å²	131.7	43%	0.427	66%	0.658	S	S	.	*	H	α-helix	trans	-68.8	-29.7	175.6	-169.4	0	0	0	0	113.2	R532 I538 A539 I540	R532-S536 VanDerWaalsContact O-CB 3.23Å; R532-S536 WeakPolarHBondContact O-CB 3.23Å; R532-S536 PolarHBondContact O-N 3.29Å; S536-I538 VanDerWaalsContact C-N 3.3Å; S536-A539 PolarHBondContact O-N 3.12Å; S536-I540 PolarHBondContact O-N 3.17Å
537	K	39.6	Very low	34.9	Very low	172 Å²	172	132.6 Å²	132.6	75%	0.748	66%	0.662	S	S	*	*	H	α-helix	trans	-69.3	-28.5	172.9	-92.4	-173.7	174.3	-174.1	0	112.7	K533 G534 V535	K533-K537 PolarHBondContact O-N 3.3Å; G534-K537 PolarHBondContact O-N 3.26Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 3.09Å
538	I	38.2	Very low	34.5	Very low	144 Å²	144	133.4 Å²	133.4	74%	0.738	67%	0.665	S	S	*	*	H	α-helix	trans	-80.2	-28	177.4	-62.6	169	0	0	0	110.8	G534 V535 S536	G534-I538 PolarHBondContact O-N 3.48Å; V535-I538 PolarHBondContact O-N 3.3Å; S536-I538 VanDerWaalsContact C-N 3.3Å
539	A	31.7	Very low	33.9	Very low	67 Å²	67	133.5 Å²	133.5	55%	0.554	67%	0.668	S	S	*	*	H	α-helix	trans	-80.3	-20.9	-178.4	0	0	0	0	0	115.2	V535 S536	V535-A539 PolarHBondContact O-N 3.01Å; V535-A539 VanDerWaalsContact O-N 3.15Å; S536-A539 PolarHBondContact O-N 3.12Å
540	I	36.9	Very low	33	Very low	126 Å²	126	138.7 Å²	138.7	65%	0.646	69%	0.687	S	S	*	*	H	α-helix	trans	-91.8	-15.9	-174.3	-66.5	175.4	0	0	0	113.4	S536 K542	S536-I540 PolarHBondContact O-N 3.17Å; I540-K542 PolarHBondContact O-N 3.48Å
541	N	31.1	Very low	32.3	Very low	144 Å²	144	143.1 Å²	143.1	77%	0.77	70%	0.697	S	S	*	*			trans	-86.6	56.1	170.7	-73.7	0.7	0	0	0	111.4	L543	N541-L543 PolarHBondContact O-N 3.38Å
542	K	29.9	Very low	31.6	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.826	70%	0.696	S	S	*	*			trans	-80	68.5	156.5	-94.1	-170.5	174.9	-177	0	108.4	I540	I540-K542 PolarHBondContact O-N 3.48Å
543	L	27.4	Very low	30.7	Very low	150 Å²	150	142.1 Å²	142.1	79%	0.785	70%	0.702	S	S	*	*			trans	-163.5	85.8	162.9	-137.3	77.5	0	0	0	108.5	N541	N541-L543 PolarHBondContact O-N 3.38Å
544	H	26.9	Very low	29.9	Very low	183 Å²	183	144 Å²	144	85%	0.847	71%	0.705	S	S	*	*			trans	170.5	83.7	147.6	-88.8	-56.6	0	0	0	105.8	P546	H544-P546 WeakPolarHBondContact O-CD 3.15Å
545	A	24.5	Very low	29	Very low	94 Å²	94	148.5 Å²	148.5	78%	0.777	72%	0.72	S	S	*	*			trans	-63.2	114.8	157.8	0	0	0	0	0	106.2	K547	A545-K547 PolarHBondContact O-N 3.37Å; A545-K547 VanDerWaalsContact O-N 3.13Å
546	P	25.6	Very low	28.1	Very low	87 Å²	87	153.9 Å²	153.9	57%	0.565	73%	0.733	S	S	*	*			trans	-65.3	116.5	178	24.5	-29.8	0	0	0	108.3	H544 W548	H544-P546 WeakPolarHBondContact O-CD 3.15Å; P546-W548 VanDerWaalsContact O-CD1 3.27Å; P546-W548 PolarHBondContact O-N 3.41Å; P546-W548 VanDerWaalsContact O-N 3.11Å
547	K	20	Very low	27.4	Very low	184 Å²	184	156.4 Å²	156.4	80%	0.8	75%	0.745	S	S	*	*			trans	-64.6	106.6	165.4	-81.5	-175.8	174.1	-176.2	0	107.1	A545 E549	A545-K547 PolarHBondContact O-N 3.37Å; A545-K547 VanDerWaalsContact O-N 3.13Å; K547-E549 PolarHBondContact O-N 2.94Å
548	W	29.3	Very low	26.5	Very low	201 Å²	201	155.1 Å²	155.1	76%	0.761	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-70.9	13.1	179.4	-73.6	100.6	0	0	0	114.4	P546	P546-W548 VanDerWaalsContact O-CD1 3.27Å; P546-W548 PolarHBondContact O-N 3.41Å; P546-W548 VanDerWaalsContact O-N 3.11Å
549	E	25.3	Very low	25.8	Very low	166 Å²	166	153.8 Å²	153.8	78%	0.776	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-87.5	0	-173.6	-76.3	-172.5	140.3	0	0	115.4	K547	K547-E549 PolarHBondContact O-N 2.94Å
550	Q	22.7	Very low	25.5	Very low	186 Å²	186	153 Å²	153	87%	0.869	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-103.2	4.7	-173.1	-138	170.1	-6.3	0	0	115.7	D552	Q550-D552 PolarHBondContact O-N 2.96Å; Q550-D552 VanDerWaalsContact O-N 3.16Å
551	Y	24.4	Very low	25	Very low	208 Å²	208	150.4 Å²	150.4	82%	0.816	73%	0.731	S	S	*	*	S	Bend	trans	-83.7	92.6	167.2	-81.7	-80.6	0	0	0	110.3
552	D	24.3	Very low	25	Very low	119 Å²	119	145.6 Å²	145.6	64%	0.636	71%	0.708	S	S	*	*			trans	10.7	112.9	164.2	-139.5	-11.7	0	0	0	118.1	Q550 R554	Q550-D552 PolarHBondContact O-N 2.96Å; Q550-D552 VanDerWaalsContact O-N 3.16Å; D552-R554 PolarHBondContact O-N 3.37Å; D552-R554 VanDerWaalsContact O-N 3.14Å; D552-R554 WeakPolarHBondContact OD1-CD 3.25Å; D552-R554 WeakPolarHBondContact OD1-CG 3.31Å; D552-R554 IonicContact OD1-NE 3.78Å
553	R	23.8	Very low	25	Very low	238 Å²	238	139.5 Å²	139.5	90%	0.898	69%	0.687	S	S	*	*			trans	-83.9	32.2	-179.2	-156.8	-177.6	-78	-151.1	-1.9	112.5
554	R	23.4	Very low	25.2	Very low	185 Å²	185	135.6 Å²	135.6	70%	0.698	67%	0.669	S	S	*	*			trans	-105.2	84.9	-176.1	-68.5	178.3	-170.9	-163.2	1.8	111.7	D552	D552-R554 PolarHBondContact O-N 3.37Å; D552-R554 VanDerWaalsContact O-N 3.14Å; D552-R554 WeakPolarHBondContact OD1-CD 3.25Å; D552-R554 WeakPolarHBondContact OD1-CG 3.31Å; D552-R554 IonicContact OD1-NE 3.78Å
555	L	24.2	Very low	25.4	Very low	131 Å²	131	127.1 Å²	127.1	69%	0.686	63%	0.631	S	S	*	*			trans	-149	107.1	152.4	-131.1	97.6	0	0	0	108.7	V557	L555-V557 PolarHBondContact O-N 2.89Å
556	Y	22	Very low	25.9	Very low	195 Å²	195	122.9 Å²	122.9	77%	0.765	60%	0.596	S	S	*	*			trans	-68.1	120.5	165.8	-94.5	-100.6	0	0	0	107.9	H558	Y556-H558 PolarHBondContact O-N 2.86Å
557	V	23.6	Very low	26.3	Very low	114 Å²	114	120.1 Å²	120.1	69%	0.691	58%	0.581	S	S	*	*			trans	-83.9	108	175	177.1	0	0	0	0	107.1	L555 P559	L555-V557 PolarHBondContact O-N 2.89Å; V557-P559 WeakPolarHBondContact O-CD 3.48Å
558	H	21.9	Very low	27.1	Very low	146 Å²	146	112 Å²	112	68%	0.676	55%	0.545	S	S	*	.			trans	-70	123.2	160.5	-89.5	-73.6	0	0	0	108.8	Y556 G560	Y556-H558 PolarHBondContact O-N 2.86Å; H558-G560 PolarHBondContact O-N 3.2Å
559	P	23.9	Very low	27.7	Very low	116 Å²	116	103.5 Å²	103.5	75%	0.753	52%	0.517	S	S	*	.	S	Bend	trans	-77.7	107.6	169.2	29.6	-27.5	0	0	0	108.1	V557	V557-P559 WeakPolarHBondContact O-CD 3.48Å
560	G	25.6	Very low	28.3	Very low	50 Å²	50	96.5 Å²	96.5	52%	0.515	49%	0.486	S	S	.	.	S	Bend	trans	131.8	132.3	-179.3	0	0	0	0	0	110.1	H558	H558-G560 PolarHBondContact O-N 3.2Å
561	T	25.6	Very low	29.4	Very low	72 Å²	72	88.8 Å²	88.8	44%	0.442	45%	0.451	S	S	.	.	S	Bend	trans	77.4	99.9	-179.7	68.7	0	0	0	0	116.7	T563	T561-T563 VanDerWaalsContact C-N 3.25Å; T561-T563 PolarHBondContact O-N 3.38Å
562	C	31.3	Very low	30.3	Very low	42 Å²	42	79.1 Å²	79.1	28%	0.284	41%	0.414	S	S	.	.	S	Bend	trans	43.7	-1.7	151.2	-62.1	0	0	0	0	123	T564 G565 T566	C562-T564 PolarHBondContact O-N 2.92Å; C562-G565 PolarHBondContact O-N 2.04Å; C562-T566 PolarHBondContact O-N 3.31Å; C562-T566 PolarHBondContact O-OG1 2.81Å
563	T	30.6	Very low	31.4	Very low	63 Å²	63	74.1 Å²	74.1	39%	0.387	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-42.1	-174.4	47.3	0	0	0	0	113.9	K246 T561 A567	K246-T563 VanDerWaalsContact NZ-CG2 3.26Å; T561-T563 VanDerWaalsContact C-N 3.25Å; T561-T563 PolarHBondContact O-N 3.38Å; T563-A567 PolarHBondContact O-N 2.85Å
564	T	31.3	Very low	32.5	Very low	67 Å²	67	62.9 Å²	62.9	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-78.2	-35.1	178.7	46.9	0	0	0	0	112.7	C562 L568	C562-T564 PolarHBondContact O-N 2.92Å; T564-L568 WeakPolarHBondContact O-CB 3.28Å; T564-L568 PolarHBondContact O-N 2.6Å
565	G	30.8	Very low	33.6	Very low	5 Å²	5	54.2 Å²	54.2	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-41.4	-179.2	0	0	0	0	0	112.8	C562 L568 S569 A581	C562-G565 PolarHBondContact O-N 2.04Å; G565-L568 PolarHBondContact O-N 3.33Å; G565-S569 WeakPolarHBondContact O-CB 3.21Å; G565-S569 PolarHBondContact O-N 3.34Å; G565-A581 WeakPolarHBondContact O-CB 3.19Å
566	T	34.6	Very low	34.5	Very low	6 Å²	6	49.2 Å²	49.2	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-74	-38	-179.9	-38.4	0	0	0	0	112.1	G245 K246 I343 C562 S569 T570	G245-T566 WeakPolarHBondContact O-CG2 3.35Å; K246-T566 HydrophobicContact CG-CG2 4.24Å; I343-T566 HydrophobicContact CB-CG2 3.91Å; I343-T566 HydrophobicContact CD1-CG2 4.44Å; I343-T566 HydrophobicContact CG2-CG2 3.28Å; C562-T566 PolarHBondContact O-N 3.31Å; C562-T566 PolarHBondContact O-OG1 2.81Å; T566-S569 PolarHBondContact O-N 2.78Å; T566-T570 VanDerWaalsContact O-CB 3.3Å; T566-T570 WeakPolarHBondContact O-CB 3.48Å; T566-T570 PolarHBondContact O-N 2.81Å; T566-T570 PolarHBondContact O-OG1 3.2Å
567	A	35	Very low	35.4	Very low	29 Å²	29	39.9 Å²	39.9	24%	0.24	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-58.1	168.4	0	0	0	0	0	108.7	T563 S569 T570 V571	T563-A567 PolarHBondContact O-N 2.85Å; A567-S569 VanDerWaalsContact C-N 3.29Å; A567-S569 PolarHBondContact O-N 3.3Å; A567-T570 PolarHBondContact O-N 3.45Å; A567-T570 VanDerWaalsContact O-N 3.15Å; A567-V571 WeakPolarHBondContact O-CB 3.45Å; A567-V571 WeakPolarHBondContact O-CG2 3.28Å; A567-V571 PolarHBondContact O-N 2.92Å
568	L	36.4	Very low	36.3	Very low	12 Å²	12	34.5 Å²	34.5	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-33.3	-176	-162.7	78.1	0	0	0	113.9	L182 T564 G565 C572 S577 A581 V584	L182-L568 HydrophobicContact CD1-CD1 4.13Å; L182-L568 HydrophobicContact CD2-CD1 3.21Å; L182-L568 HydrophobicContact CG-CD1 4.31Å; T564-L568 WeakPolarHBondContact O-CB 3.28Å; T564-L568 PolarHBondContact O-N 2.6Å; G565-L568 PolarHBondContact O-N 3.33Å; L568-C572 PolarHBondContact O-N 3.42Å; L568-C572 VanDerWaalsContact O-N 3.14Å; L568-S577 WeakPolarHBondContact CG-OG 3.35Å; L568-S577 PolarHBondContact O-OG 3.41Å; L568-A581 HydrophobicContact CB-CB 3.5Å; L568-A581 HydrophobicContact CD2-CB 3.52Å; L568-A581 HydrophobicContact CG-CB 3.81Å; L568-V584 HydrophobicContact CD2-CG2 4.5Å
569	S	40.3	Very low	36.9	Very low	24 Å²	24	29.4 Å²	29.4	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-47.9	172.4	171.8	0	0	0	0	114.6	G565 T566 A567 V571 T578	G565-S569 WeakPolarHBondContact O-CB 3.21Å; G565-S569 PolarHBondContact O-N 3.34Å; T566-S569 PolarHBondContact O-N 2.78Å; A567-S569 VanDerWaalsContact C-N 3.29Å; A567-S569 PolarHBondContact O-N 3.3Å; S569-V571 VanDerWaalsContact C-N 3.29Å; S569-T578 VanDerWaalsContact CA-CG2 3.48Å; S569-T578 VanDerWaalsContact CB-CG2 3.48Å; S569-T578 WeakPolarHBondContact OG-CG2 3.3Å
570	T	40	Very low	37.6	Very low	19 Å²	19	24.2 Å²	24.2	12%	0.117	16%	0.161	C	C	.	.	H	α-helix	trans	-73.9	-27.7	180	-49.8	0	0	0	0	110.9	Q238 T566 A567	Q238-T570 HydrophobicContact CG-CG2 3.93Å; T566-T570 VanDerWaalsContact O-CB 3.3Å; T566-T570 WeakPolarHBondContact O-CB 3.48Å; T566-T570 PolarHBondContact O-N 2.81Å; T566-T570 PolarHBondContact O-OG1 3.2Å; A567-T570 PolarHBondContact O-N 3.45Å; A567-T570 VanDerWaalsContact O-N 3.15Å
571	V	45.6	Very low	38.3	Very low	23 Å²	23	21.9 Å²	21.9	14%	0.139	14%	0.137	C	C	.	.	H	α-helix	trans	-88.4	-41.3	-166.4	156.7	0	0	0	0	112.1	Q186 H436 A567 S569	Q186-V571 HydrophobicContact CB-CG1 4.39Å; Q186-V571 VanDerWaalsContact CD-CG2 3.44Å; Q186-V571 HydrophobicContact CG-CB 3.84Å; Q186-V571 HydrophobicContact CG-CG1 3.13Å; Q186-V571 HydrophobicContact CG-CG2 3.51Å; H436-V571 PolarHBondContact CE1-O 3.03Å; H436-V571 PolarHBondContact ND1-O 3.07Å; H436-V571 PolarHBondContact NE2-O 2.87Å; A567-V571 WeakPolarHBondContact O-CB 3.45Å; A567-V571 WeakPolarHBondContact O-CG2 3.28Å; A567-V571 PolarHBondContact O-N 2.92Å; S569-V571 VanDerWaalsContact C-N 3.29Å
572	C	41.7	Very low	38.8	Very low	5 Å²	5	20.7 Å²	20.7	3%	0.034	13%	0.126	C	C	.	.			trans	-104.9	102.1	-179.8	-75.4	0	0	0	0	108.1	L568 S574 S577	L568-C572 PolarHBondContact O-N 3.42Å; L568-C572 VanDerWaalsContact O-N 3.14Å; C572-S574 PolarHBondContact O-N 3.35Å; C572-S574 VanDerWaalsContact O-O 3.12Å; C572-S577 WeakPolarHBondContact CB-OG 3.35Å; C572-S577 PolarHBondContact SG-OG 2.97Å
573	N	47.4	Very low	38.9	Very low	14 Å²	14	20.5 Å²	20.5	8%	0.075	12%	0.122	C	C	.	.			trans	-57.6	17.4	166.9	-57.9	-19.5	0	0	0	114.6	Y193 R231 C235 W280	Y193-N573 WeakPolarHBondContact CE2-ND2 3.2Å; Y193-N573 WeakPolarHBondContact OH-CB 3.29Å; Y193-N573 PolarHBondContact OH-ND2 3.27Å; R231-N573 PolarHBondContact NH2-O 2.95Å; C235-N573 PolarHBondContact SG-ND2 3.49Å; W280-N573 HydrophobicContact CH2-CB 4.17Å; W280-N573 WeakPolarHBondContact CH2-ND2 3.47Å; W280-N573 WeakPolarHBondContact CH2-OD1 3.38Å; W280-N573 HydrophobicContact CZ2-CB 4.13Å; W280-N573 VanDerWaalsContact CZ2-CG 3.44Å; W280-N573 WeakPolarHBondContact CZ2-OD1 3.3Å
574	S	48.2	Very low	39.2	Very low	2 Å²	2	18.4 Å²	18.4	1%	0.014	11%	0.109	C	C	.	.	S	Bend	trans	-90.3	132	168.7	173.4	0	0	0	0	108.6	E435 C572 Y576 S577	E435-S574 WeakPolarHBondContact OE1-CB 3.19Å; E435-S574 PolarHBondContact OE1-OG 2.86Å; E435-S574 PolarHBondContact OE2-OG 3.48Å; E435-S574 VanDerWaalsContact OE2-OG 3.13Å; C572-S574 PolarHBondContact O-N 3.35Å; C572-S574 VanDerWaalsContact O-O 3.12Å; S574-Y576 PolarHBondContact O-N 3.41Å; S574-Y576 PolarHBondContact OG-N 3.42Å; S574-Y576 VanDerWaalsContact OG-N 3.17Å; S574-S577 PolarHBondContact O-N 3.13Å
575	V	45	Very low	39.4	Very low	4 Å²	4	19.2 Å²	19.2	2%	0.024	11%	0.109	C	C	.	.	H	α-helix	trans	-44	-33	168.2	172.3	0	0	0	0	112.1	I358 M359 I362 T578	I358-V575 HydrophobicContact CB-CG2 4.08Å; I358-V575 HydrophobicContact CD1-CG2 4.29Å; I358-V575 HydrophobicContact CG2-CG2 3.35Å; M359-V575 HydrophobicContact CG-CG1 4.26Å; M359-V575 HydrophobicContact SD-CG1 3.69Å; I362-V575 HydrophobicContact CD1-CG2 4.18Å; V575-T578 PolarHBondContact O-OG1 3.21Å
576	Y	44.9	Very low	39.4	Very low	25 Å²	25	27.6 Å²	27.6	10%	0.098	14%	0.139	C	C	.	.	H	α-helix	trans	-92.3	-29.1	-171.4	-78.8	-75.5	0	0	0	115	M359 S413 V416 S574 T578 V579 T580	M359-Y576 HydrophobicContact CE-CE2 3.68Å; M359-Y576 WeakPolarHBondContact CE-OH 3.38Å; M359-Y576 HydrophobicContact SD-CD2 4.34Å; M359-Y576 HydrophobicContact SD-CE1 4.42Å; M359-Y576 HydrophobicContact SD-CE2 3.26Å; M359-Y576 WeakPolarHBondContact SD-CE2 3.41Å; M359-Y576 PolarHBondContact SD-OH 2.95Å; S413-Y576 VanDerWaalsContact OG-CD2 3.3Å; S413-Y576 WeakPolarHBondContact OG-CD2 3.36Å; S413-Y576 WeakPolarHBondContact OG-CE2 3.13Å; V416-Y576 HydrophobicContact CB-CD1 4.01Å; V416-Y576 HydrophobicContact CB-CE1 4.41Å; V416-Y576 HydrophobicContact CB-CG 4.44Å; V416-Y576 HydrophobicContact CG1-CD1 3.52Å; V416-Y576 HydrophobicContact CG1-CE1 4.11Å; V416-Y576 HydrophobicContact CG1-CG 4.23Å; V416-Y576 HydrophobicContact CG2-CD1 4.45Å; V416-Y576 HydrophobicContact CG2-CG 4.42Å; S574-Y576 PolarHBondContact O-N 3.41Å; S574-Y576 PolarHBondContact OG-N 3.42Å; S574-Y576 VanDerWaalsContact OG-N 3.17Å; Y576-T578 PolarHBondContact O-N 3.04Å; Y576-V579 HydrophobicContact CD1-CG2 4.4Å; Y576-V579 CarbonylContact O-C 3.55Å; Y576-V579 WeakPolarHBondContact O-CA 3.05Å; Y576-V579 WeakPolarHBondContact O-CB 3.36Å; Y576-V579 PolarHBondContact O-N 2.81Å; Y576-T580 PolarHBondContact O-N 3.09Å; Y576-T580 PolarHBondContact O-OG1 3.48Å; Y576-T580 VanDerWaalsContact O-OG1 3.1Å
577	S	41	Very low	39.2	Very low	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-24.4	179.5	-163	0	0	0	0	112.2	L568 C572 S574 A581	L568-S577 WeakPolarHBondContact CG-OG 3.35Å; L568-S577 PolarHBondContact O-OG 3.41Å; C572-S577 WeakPolarHBondContact CB-OG 3.35Å; C572-S577 PolarHBondContact SG-OG 2.97Å; S574-S577 PolarHBondContact O-N 3.13Å; S577-A581 WeakPolarHBondContact O-CA 3.29Å; S577-A581 WeakPolarHBondContact O-CB 3.01Å; S577-A581 PolarHBondContact O-N 3.3Å
578	T	40.4	Very low	39.1	Very low	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-40.4	165	35.4	0	0	0	0	114.3	R355 S569 V575 Y576 A581 Q582	R355-T578 PolarHBondContact NE-OG1 2.89Å; R355-T578 VanDerWaalsContact NH2-CG2 3.34Å; R355-T578 PolarHBondContact NH2-OG1 3.04Å; S569-T578 VanDerWaalsContact CA-CG2 3.48Å; S569-T578 VanDerWaalsContact CB-CG2 3.48Å; S569-T578 WeakPolarHBondContact OG-CG2 3.3Å; V575-T578 PolarHBondContact O-OG1 3.21Å; Y576-T578 PolarHBondContact O-N 3.04Å; T578-A581 WeakPolarHBondContact O-CB 3Å; T578-A581 PolarHBondContact O-N 3.38Å; T578-Q582 WeakPolarHBondContact O-CG 3.34Å; T578-Q582 PolarHBondContact O-N 3.18Å
579	V	35.4	Very low	38.6	Very low	38 Å²	38	37.8 Å²	37.8	23%	0.23	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-48.2	178	-179.1	0	0	0	0	109.3	F351 Y576 A581 Q582 N583	F351-V579 HydrophobicContact CE1-CG2 3.62Å; F351-V579 HydrophobicContact CZ-CG2 3.47Å; F351-V579 VanDerWaalsContact CZ-CG2 3.47Å; Y576-V579 HydrophobicContact CD1-CG2 4.4Å; Y576-V579 CarbonylContact O-C 3.55Å; Y576-V579 WeakPolarHBondContact O-CA 3.05Å; Y576-V579 WeakPolarHBondContact O-CB 3.36Å; Y576-V579 PolarHBondContact O-N 2.81Å; V579-A581 VanDerWaalsContact C-N 3.33Å; V579-A581 PolarHBondContact O-N 2.92Å; V579-Q582 PolarHBondContact O-N 2.8Å; V579-N583 WeakPolarHBondContact O-CB 3.37Å; V579-N583 VanDerWaalsContact O-CG 3.3Å; V579-N583 PolarHBondContact O-N 2.87Å
580	T	38.7	Very low	37.9	Very low	7 Å²	7	48.5 Å²	48.5	4%	0.043	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-41.1	176.6	-45.7	0	0	0	0	110.3	L424 L428 L432 Y576 Q582 N583 V584	L424-T580 HydrophobicContact CD1-CG2 3.91Å; L428-T580 HydrophobicContact CD2-CG2 3.69Å; L428-T580 HydrophobicContact CG-CG2 4.35Å; L432-T580 HydrophobicContact CD1-CG2 3.78Å; Y576-T580 PolarHBondContact O-N 3.09Å; Y576-T580 PolarHBondContact O-OG1 3.48Å; Y576-T580 VanDerWaalsContact O-OG1 3.1Å; T580-Q582 VanDerWaalsContact C-N 3.27Å; T580-Q582 PolarHBondContact O-N 3.18Å; T580-N583 PolarHBondContact O-N 3.08Å; T580-V584 HydrophobicContact CG2-CG2 3.92Å; T580-V584 VanDerWaalsContact O-CB 3.27Å; T580-V584 WeakPolarHBondContact O-CB 3.32Å; T580-V584 WeakPolarHBondContact O-CG2 3.47Å; T580-V584 PolarHBondContact O-N 3.17Å
581	A	39.9	Very low	37.5	Very low	1 Å²	1	53.5 Å²	53.5	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-42	178.7	0	0	0	0	0	113.7	G565 L568 S577 T578 V579	G565-A581 WeakPolarHBondContact O-CB 3.19Å; L568-A581 HydrophobicContact CB-CB 3.5Å; L568-A581 HydrophobicContact CD2-CB 3.52Å; L568-A581 HydrophobicContact CG-CB 3.81Å; S577-A581 WeakPolarHBondContact O-CA 3.29Å; S577-A581 WeakPolarHBondContact O-CB 3.01Å; S577-A581 PolarHBondContact O-N 3.3Å; T578-A581 WeakPolarHBondContact O-CB 3Å; T578-A581 PolarHBondContact O-N 3.38Å; V579-A581 VanDerWaalsContact C-N 3.33Å; V579-A581 PolarHBondContact O-N 2.92Å
582	Q	37.3	Very low	36.7	Very low	48 Å²	48	58.6 Å²	58.6	22%	0.224	30%	0.299	C	S	.	.	H	α-helix	trans	-82.3	-35.3	-178.6	-68.5	-179.7	-37.9	0	0	111.2	T578 V579 T580 Q585	T578-Q582 WeakPolarHBondContact O-CG 3.34Å; T578-Q582 PolarHBondContact O-N 3.18Å; V579-Q582 PolarHBondContact O-N 2.8Å; T580-Q582 VanDerWaalsContact C-N 3.27Å; T580-Q582 PolarHBondContact O-N 3.18Å; Q582-Q585 PolarHBondContact O-N 3.39Å
583	N	32.3	Very low	36.4	Very low	37 Å²	37	66 Å²	66	20%	0.198	34%	0.338	C	S	.	.	H	α-helix	trans	-73.9	-30.9	176.6	-69.5	-11.4	0	0	0	113	N421 V579 T580 Q585 R586	N421-N583 HydrophobicContact CB-CB 4.39Å; N421-N583 PolarHBondContact OD1-ND2 3.28Å; V579-N583 WeakPolarHBondContact O-CB 3.37Å; V579-N583 VanDerWaalsContact O-CG 3.3Å; V579-N583 PolarHBondContact O-N 2.87Å; T580-N583 PolarHBondContact O-N 3.08Å; N583-Q585 PolarHBondContact O-N 3.3Å; N583-R586 PolarHBondContact O-N 3.36Å
584	V	36.6	Very low	35.5	Very low	19 Å²	19	73.2 Å²	73.2	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-52.5	-36	169.7	166	0	0	0	0	110.8	L424 L568 T580 R586	L424-V584 HydrophobicContact CD1-CG2 3.44Å; L424-V584 VanDerWaalsContact CD1-CG2 3.44Å; L424-V584 HydrophobicContact CD2-CB 3.98Å; L424-V584 HydrophobicContact CD2-CG1 3.64Å; L424-V584 HydrophobicContact CD2-CG2 3.48Å; L424-V584 VanDerWaalsContact CD2-CG2 3.48Å; L424-V584 HydrophobicContact CG-CG2 4.06Å; L568-V584 HydrophobicContact CD2-CG2 4.5Å; T580-V584 HydrophobicContact CG2-CG2 3.92Å; T580-V584 VanDerWaalsContact O-CB 3.27Å; T580-V584 WeakPolarHBondContact O-CB 3.32Å; T580-V584 WeakPolarHBondContact O-CG2 3.47Å; T580-V584 PolarHBondContact O-N 3.17Å; V584-R586 VanDerWaalsContact C-N 3.32Å; V584-R586 PolarHBondContact O-N 3.42Å
585	Q	35.9	Very low	34.6	Very low	85 Å²	85	77 Å²	77	40%	0.397	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-20	-179	-65.5	-164.2	-69.1	0	0	113.8	Q582 N583	Q582-Q585 PolarHBondContact O-N 3.39Å; N583-Q585 PolarHBondContact O-N 3.3Å
586	R	30.1	Very low	34	Very low	181 Å²	181	84.2 Å²	84.2	68%	0.683	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-19.2	-175	-85.4	-176.1	173.5	168.1	-1.5	115.1	N583 V584	N583-R586 PolarHBondContact O-N 3.36Å; V584-R586 VanDerWaalsContact C-N 3.32Å; V584-R586 PolarHBondContact O-N 3.42Å
587	F	32.1	Very low	33.5	Very low	106 Å²	106	92.3 Å²	92.3	47%	0.465	47%	0.47	S	S	.	.			trans	-132.5	23.7	-164.1	-83.6	-77.8	0	0	0	117.2	T422 G589	T422-F587 HydrophobicContact CG2-CD1 3.87Å; T422-F587 HydrophobicContact CG2-CE1 4.04Å; T422-F587 HydrophobicContact CG2-CG 4.35Å; F587-G589 PolarHBondContact O-N 3.26Å
588	L	32.1	Very low	33	Very low	103 Å²	103	100 Å²	100	54%	0.539	50%	0.5	S	S	.	.			trans	-73.1	56.4	165	-75.2	162.6	0	0	0	111.4	Q171	Q171-L588 PolarHBondContact NE2-O 2.73Å
589	G	26.1	Very low	32.9	Very low	51 Å²	51	105.9 Å²	105.9	53%	0.526	53%	0.531	S	S	.	.			trans	-150.3	111.5	178	0	0	0	0	0	110.3	F587	F587-G589 PolarHBondContact O-N 3.26Å
590	R	26.1	Very low	32.9	Very low	250 Å²	250	108.5 Å²	108.5	94%	0.943	55%	0.55	S	S	*	*	S	Bend	trans	90.2	123.4	163.9	-70.4	177.5	164.3	175.5	-4.6	119.7
591	S	29.9	Very low	32.9	Very low	123 Å²	123	115.5 Å²	115.5	86%	0.86	58%	0.577	S	S	*	*			trans	85.9	74.7	138.6	-150.4	0	0	0	0	118.4
592	T	29.4	Very low	32.9	Very low	131 Å²	131	120.1 Å²	120.1	80%	0.804	60%	0.598	S	S	*	*			trans	-98.9	109.7	159.9	43.1	0	0	0	0	109.8
593	L	34.9	Very low	32.9	Very low	161 Å²	161	119.8 Å²	119.8	84%	0.843	61%	0.607	S	S	*	*	S	Bend	trans	-173.7	-9.5	139.7	-107.5	141.1	0	0	0	116.6
594	L	28.9	Very low	33.5	Very low	165 Å²	165	123.7 Å²	123.7	86%	0.864	63%	0.627	S	S	*	*	S	Bend	trans	-97.3	-8.4	-175.1	-119	90	0	0	0	117.5
595	C	30.2	Very low	33.5	Very low	81 Å²	81	126.7 Å²	126.7	55%	0.547	64%	0.64	S	S	.	*	S	Bend	trans	-100.3	-16.7	-170.6	-146.6	0	0	0	0	115.4	Y597 Y598 L599	C595-Y597 PolarHBondContact O-N 2.62Å; C595-Y598 PolarHBondContact O-N 2.82Å; C595-Y598 VanDerWaalsContact O-N 3.15Å; C595-L599 PolarHBondContact O-N 2.97Å
596	L	31.9	Very low	33.7	Very low	155 Å²	155	128.3 Å²	128.3	81%	0.812	65%	0.651	S	S	*	*	H	α-helix	trans	-64.8	-22.2	178.6	-79.5	168.9	0	0	0	113.1
597	Y	34.3	Very low	34.1	Very low	195 Å²	195	124.5 Å²	124.5	77%	0.765	65%	0.647	S	S	*	*	H	α-helix	trans	-78.5	-32.3	175.9	-156.2	-95.4	0	0	0	112.7	C595	C595-Y597 PolarHBondContact O-N 2.62Å
598	Y	30.9	Very low	34.8	Very low	161 Å²	161	122.1 Å²	122.1	63%	0.631	64%	0.644	S	S	*	*	H	α-helix	trans	-82.4	-38.4	-175.5	-110.6	-88.5	0	0	0	113.1	C595 H602	C595-Y598 PolarHBondContact O-N 2.82Å; C595-Y598 VanDerWaalsContact O-N 3.15Å; Y598-H602 PolarHBondContact O-N 3.46Å
599	L	37.1	Very low	35.4	Very low	126 Å²	126	122.2 Å²	122.2	66%	0.66	64%	0.644	S	S	*	*	H	α-helix	trans	-78.4	-30.8	-174.3	-75.3	166.6	0	0	0	113.6	C595 Y601 G603	C595-L599 PolarHBondContact O-N 2.97Å; L599-Y601 VanDerWaalsContact C-N 3.27Å; L599-Y601 PolarHBondContact O-N 2.75Å; L599-G603 PolarHBondContact O-N 2.01Å
600	C	37.2	Very low	36.4	Very low	93 Å²	93	126.9 Å²	126.9	63%	0.628	65%	0.652	S	S	*	*	H	α-helix	trans	-71.7	-26.2	175.9	-152.6	0	0	0	0	112
601	Y	38.2	Very low	37.3	Very low	153 Å²	153	119.1 Å²	119.1	60%	0.6	63%	0.632	S	S	*	*	H	α-helix	trans	-83	-46.7	179.9	-149.1	-90.2	0	0	0	112.1	L599	L599-Y601 VanDerWaalsContact C-N 3.27Å; L599-Y601 PolarHBondContact O-N 2.75Å
602	H	39.4	Very low	37.9	Very low	98 Å²	98	118 Å²	118	45%	0.454	62%	0.616	S	S	.	*	H	α-helix	trans	-85.6	-25.6	-174.7	-90.9	-60.3	0	0	0	115.7	Y598 I604 E605 L606	Y598-H602 PolarHBondContact O-N 3.46Å; H602-I604 VanDerWaalsContact C-N 3.34Å; H602-I604 PolarHBondContact O-N 2.89Å; H602-E605 IonicContact CE1-OE2 3.77Å; H602-E605 IonicContact ND1-OE2 2.65Å; H602-E605 PolarHBondContact ND1-OE2 3.43Å; H602-E605 PolarHBondContact O-N 2.82Å; H602-L606 PolarHBondContact O-N 3.12Å
603	G	38	Very low	38.7	Very low	41 Å²	41	114.7 Å²	114.7	42%	0.423	60%	0.599	S	S	.	*	H	α-helix	trans	-69.1	-31.3	179.7	0	0	0	0	0	113.6	L599	L599-G603 PolarHBondContact O-N 2.01Å
604	I	43.3	Very low	39.4	Very low	120 Å²	120	113.9 Å²	113.9	62%	0.615	59%	0.589	S	S	*	*	H	α-helix	trans	-79.9	-32.6	178.3	-62.8	177	0	0	0	110.8	H602 S608	H602-I604 VanDerWaalsContact C-N 3.34Å; H602-I604 PolarHBondContact O-N 2.89Å; I604-S608 WeakPolarHBondContact O-CB 3.15Å; I604-S608 PolarHBondContact O-N 3.29Å; I604-S608 VanDerWaalsContact O-N 3.1Å
605	E	37.2	Very low	40.5	Very low	82 Å²	82	110.4 Å²	110.4	38%	0.383	57%	0.574	S	S	.	*	H	α-helix	trans	-65.2	-41.6	175.3	-84.2	-170.7	156	0	0	112.8	H602 V607 S608 I609	H602-E605 IonicContact CE1-OE2 3.77Å; H602-E605 IonicContact ND1-OE2 2.65Å; H602-E605 PolarHBondContact ND1-OE2 3.43Å; H602-E605 PolarHBondContact O-N 2.82Å; E605-V607 VanDerWaalsContact C-N 3.34Å; E605-V607 PolarHBondContact O-N 3.39Å; E605-S608 PolarHBondContact O-N 2.59Å; E605-I609 HydrophobicContact CB-CD1 4.26Å; E605-I609 WeakPolarHBondContact O-CB 3.4Å; E605-I609 WeakPolarHBondContact O-CD1 3.37Å; E605-I609 WeakPolarHBondContact O-CG1 3.35Å; E605-I609 PolarHBondContact O-N 2.89Å
606	L	40.2	Very low	41.7	Very low	119 Å²	119	111 Å²	111	62%	0.623	58%	0.579	S	S	*	*	H	α-helix	trans	-61.9	-39.9	-178.8	-91.5	154.5	0	0	0	112.8	H602 E610	H602-L606 PolarHBondContact O-N 3.12Å; L606-E610 PolarHBondContact O-N 3.01Å
607	V	39.2	Very low	42.6	Very low	100 Å²	100	111.3 Å²	111.3	61%	0.606	57%	0.574	S	S	*	*	H	α-helix	trans	-73.7	-34.8	176.8	-178.6	0	0	0	0	111.2	E605 V611	E605-V607 VanDerWaalsContact C-N 3.34Å; E605-V607 PolarHBondContact O-N 3.39Å; V607-V611 VanDerWaalsContact O-CG2 3.27Å; V607-V611 WeakPolarHBondContact O-CG2 3Å; V607-V611 PolarHBondContact O-N 3.28Å
608	S	46.4	Very low	43.5	Very low	56 Å²	56	109.4 Å²	109.4	39%	0.392	57%	0.572	S	S	.	*	H	α-helix	trans	-72.6	-32.2	177	-167.1	0	0	0	0	113	I604 E605 N612	I604-S608 WeakPolarHBondContact O-CB 3.15Å; I604-S608 PolarHBondContact O-N 3.29Å; I604-S608 VanDerWaalsContact O-N 3.1Å; E605-S608 PolarHBondContact O-N 2.59Å; S608-N612 VanDerWaalsContact O-CB 3.28Å; S608-N612 WeakPolarHBondContact O-CB 3.16Å; S608-N612 PolarHBondContact O-N 3.39Å; S608-N612 PolarHBondContact O-ND2 2.98Å; S608-N612 PolarHBondContact OG-ND2 2.62Å
609	I	45.6	Very low	44.4	Very low	105 Å²	105	107.5 Å²	107.5	54%	0.538	60%	0.601	S	S	.	*	H	α-helix	trans	-71.7	-41.6	-179.3	-70.2	164.5	0	0	0	110.7	E605 S613	E605-I609 HydrophobicContact CB-CD1 4.26Å; E605-I609 WeakPolarHBondContact O-CB 3.4Å; E605-I609 WeakPolarHBondContact O-CD1 3.37Å; E605-I609 WeakPolarHBondContact O-CG1 3.35Å; E605-I609 PolarHBondContact O-N 2.89Å; I609-S613 WeakPolarHBondContact O-CB 3.48Å; I609-S613 PolarHBondContact O-N 3.21Å
610	E	45.8	Very low	44.8	Very low	150 Å²	150	106.6 Å²	106.6	70%	0.701	60%	0.598	S	S	*	*	H	α-helix	trans	-67.7	-38.6	176.4	-77.4	-170.1	156.5	0	0	112.2	L606 F614	L606-E610 PolarHBondContact O-N 3.01Å; E610-F614 WeakPolarHBondContact O-CB 3.44Å; E610-F614 PolarHBondContact O-N 3.04Å; E610-F614 VanDerWaalsContact O-N 3.1Å
611	V	45.9	Very low	45.2	Very low	86 Å²	86	107.3 Å²	107.3	52%	0.521	60%	0.596	S	S	.	*	H	α-helix	trans	-69.1	-42.9	177.5	175.9	0	0	0	0	111.2	V607 F614 V615	V607-V611 VanDerWaalsContact O-CG2 3.27Å; V607-V611 WeakPolarHBondContact O-CG2 3Å; V607-V611 PolarHBondContact O-N 3.28Å; V611-F614 PolarHBondContact O-N 2.96Å; V611-V615 WeakPolarHBondContact O-CG2 3.31Å; V611-V615 PolarHBondContact O-N 3.07Å
612	N	41.2	Very low	45.6	Very low	99 Å²	99	104.7 Å²	104.7	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-72.2	-34.1	178	-76.8	-22	0	0	0	112.9	S608 F614 V615 S616	S608-N612 VanDerWaalsContact O-CB 3.28Å; S608-N612 WeakPolarHBondContact O-CB 3.16Å; S608-N612 PolarHBondContact O-N 3.39Å; S608-N612 PolarHBondContact O-ND2 2.98Å; S608-N612 PolarHBondContact OG-ND2 2.62Å; N612-F614 VanDerWaalsContact C-N 3.29Å; N612-F614 PolarHBondContact O-N 2.84Å; N612-V615 PolarHBondContact O-N 3.01Å; N612-S616 WeakPolarHBondContact O-CB 3.37Å; N612-S616 PolarHBondContact O-N 2.91Å
613	S	46.9	Very low	46	Very low	62 Å²	62	105.1 Å²	105.1	43%	0.434	61%	0.605	S	S	.	*	H	α-helix	trans	-64.9	-35.4	174.2	-169.6	0	0	0	0	111.7	I609 K617	I609-S613 WeakPolarHBondContact O-CB 3.48Å; I609-S613 PolarHBondContact O-N 3.21Å; S613-K617 PolarHBondContact O-N 2.79Å
614	F	50	Low	46.5	Very low	145 Å²	145	109.1 Å²	109.1	64%	0.636	62%	0.616	S	S	*	*	H	α-helix	trans	-72.9	-40.4	176.2	-166.9	-96.8	0	0	0	112.6	E610 V611 N612 K617	E610-F614 WeakPolarHBondContact O-CB 3.44Å; E610-F614 PolarHBondContact O-N 3.04Å; E610-F614 VanDerWaalsContact O-N 3.1Å; V611-F614 PolarHBondContact O-N 2.96Å; N612-F614 VanDerWaalsContact C-N 3.29Å; N612-F614 PolarHBondContact O-N 2.84Å; F614-K617 PolarHBondContact O-N 3.15Å
615	V	51.9	Low	46.7	Very low	91 Å²	91	108.4 Å²	108.4	55%	0.552	62%	0.616	S	S	*	*	H	α-helix	trans	-68.2	-37	177	174.4	0	0	0	0	111.6	V611 N612 K617 G619	V611-V615 WeakPolarHBondContact O-CG2 3.31Å; V611-V615 PolarHBondContact O-N 3.07Å; N612-V615 PolarHBondContact O-N 3.01Å; V615-K617 VanDerWaalsContact C-N 3.35Å; V615-K617 PolarHBondContact O-N 2.9Å; V615-G619 PolarHBondContact O-N 2.62Å
616	S	55.1	Low	47.3	Very low	95 Å²	95	110.3 Å²	110.3	66%	0.664	63%	0.633	S	S	*	*	H	α-helix	trans	-72.9	-21.1	179.1	-179.9	0	0	0	0	114.5	N612	N612-S616 WeakPolarHBondContact O-CB 3.37Å; N612-S616 PolarHBondContact O-N 2.91Å
617	K	51.6	Low	47.9	Very low	160 Å²	160	109.6 Å²	109.6	70%	0.696	63%	0.633	S	S	*	*	H	α-helix	trans	-90	-13.6	179.2	-86.2	-177.4	176.1	175.7	0	113.9	S613 F614 V615	S613-K617 PolarHBondContact O-N 2.79Å; F614-K617 PolarHBondContact O-N 3.15Å; V615-K617 VanDerWaalsContact C-N 3.35Å; V615-K617 PolarHBondContact O-N 2.9Å
618	H	52.6	Low	48.6	Very low	155 Å²	155	110.4 Å²	110.4	72%	0.718	64%	0.636	S	S	*	*	H	α-helix	trans	-137.3	3.8	-172.7	-73.5	-50.6	0	0	0	115.8
619	G	50.6	Low	48.8	Very low	121 Å²	121	115.4 Å²	115.4	100%	1.247	66%	0.658	S	S	*	*			trans	-93.9	0	155.6	0	0	0	0	0	109.6	V615	V615-G619 PolarHBondContact O-N 2.62Å

Retrieved 619 of 619 residues in 583.4 ms (Link to these results)

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