A0A087XAA4_POEFO Loading...

Neurolysin (metallopeptidase M3 family)

AlphaFold DB , UniProt , Accession A0A087XAA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 710 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	I	32	Very low	29.4	Very low	230 Å²	230	159.5 Å²	159.5	100%	1.179	84%	0.838	S	S	*	*				0	122.1	0	-69.3	171.5	0	0	0	107.5
2	I	27.7	Very low	29.2	Very low	161 Å²	161	158.6 Å²	158.6	83%	0.826	84%	0.844	S	S	*	*			trans	-83.3	142.5	-169.3	-73.6	169.3	0	0	0	111.5
3	A	28.6	Very low	29	Very low	81 Å²	81	159.7 Å²	159.7	67%	0.669	84%	0.84	S	S	*	*			trans	61.7	133.9	153.4	0	0	0	0	0	121
4	R	29.2	Very low	28.8	Very low	232 Å²	232	160.4 Å²	160.4	88%	0.875	84%	0.837	S	S	*	*				176.5	131.6	109	-95.8	173.6	-177	-159.8	1	113.7
5	C	27.9	Very low	28.5	Very low	121 Å²	121	161.1 Å²	161.1	82%	0.818	84%	0.837	S	S	*	*			trans	66.2	142.3	139.8	-59.2	0	0	0	0	119.5
6	S	28.7	Very low	28.4	Very low	118 Å²	118	159.4 Å²	159.4	83%	0.825	84%	0.835	S	S	*	*			cis	178	160.9	-15.9	-157.1	0	0	0	0	105.7
7	P	43.3	Very low	28.2	Very low	113 Å²	113	153.9 Å²	153.9	73%	0.734	83%	0.826	S	S	*	*			trans	-108.6	168.7	-152.1	41.6	-35.8	0	0	0	115.8
8	K	27	Very low	28	Very low	195 Å²	195	159.2 Å²	159.2	85%	0.848	83%	0.832	S	S	*	*			trans	-158.9	136.6	159.7	-89.3	-178	178.8	178.7	0	106.4
9	L	26.5	Very low	28	Very low	153 Å²	153	156 Å²	156	80%	0.801	83%	0.825	S	S	*	*			cis	-165	135.2	11.3	-128.7	138.9	0	0	0	106.5
10	Q	25.3	Very low	28.1	Very low	174 Å²	174	161.2 Å²	161.2	81%	0.813	83%	0.833	S	S	*	*			trans	-81	163.7	168.7	-85	177	-38.3	0	0	111.5
11	Q	27.1	Very low	28.2	Very low	177 Å²	177	157.8 Å²	157.8	83%	0.827	83%	0.828	S	S	*	*			trans	101.8	110	156	-61	-174	-8.4	0	0	117.4
12	T	26.8	Very low	28	Very low	148 Å²	148	154.1 Å²	154.1	91%	0.908	81%	0.81	S	S	*	*				-158.2	139.4	105.6	25.5	0	0	0	0	110.1
13	H	26.7	Very low	28	Very low	173 Å²	173	152.4 Å²	152.4	80%	0.801	80%	0.802	S	S	*	*			trans	-110.3	156.2	-177.2	-114.8	-79.7	0	0	0	110.4
14	H	26.6	Very low	28	Very low	170 Å²	170	154.7 Å²	154.7	79%	0.787	81%	0.807	S	S	*	*			trans	77.4	128.6	165.9	-69.5	-57.6	0	0	0	116.8
15	M	24.2	Very low	28	Very low	171 Å²	171	149.2 Å²	149.2	84%	0.842	80%	0.8	S	S	*	*			cis	-158.7	143.4	47.2	-98.8	-167.1	-88.8	0	0	115.3
16	V	27.3	Very low	28	Very low	133 Å²	133	151.5 Å²	151.5	81%	0.806	80%	0.796	S	S	*	*			trans	52.5	102.8	137.3	-167.1	0	0	0	0	121.5
17	G	24.2	Very low	27.9	Very low	66 Å²	66	152.1 Å²	152.1	68%	0.68	79%	0.789	S	S	*	*				79.5	103	107.7	0	0	0	0	0	120.8
18	R	25.2	Very low	27.1	Very low	249 Å²	249	155.6 Å²	155.6	94%	0.94	79%	0.792	S	S	*	*				172.3	155.8	122.9	-95.8	171.6	176.7	-174.6	-0.7	110
19	S	28.2	Very low	27.2	Very low	99 Å²	99	152.3 Å²	152.3	69%	0.692	78%	0.783	S	S	*	*			trans	89.6	55.5	174.7	-50.6	0	0	0	0	117.7	A21	S19-A21 PolarHBondContact O-N 3.33Å
20	R	29	Very low	27.1	Very low	260 Å²	260	155.2 Å²	155.2	98%	0.981	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	94.7	141.3	-85.4	-178.5	169	179.2	-3.3	108.2
21	A	30.6	Very low	27.2	Very low	90 Å²	90	154.4 Å²	154.4	74%	0.744	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.4	-9.7	160.1	0	0	0	0	0	114.3	S19	S19-A21 PolarHBondContact O-N 3.33Å
22	L	28.3	Very low	27.5	Very low	152 Å²	152	154.9 Å²	154.9	80%	0.796	78%	0.78	S	S	*	*	S	Bend	trans	-120.5	8.2	-175	-95.3	143.1	0	0	0	114.9
23	I	27.9	Very low	27.5	Very low	126 Å²	126	152.9 Å²	152.9	65%	0.646	77%	0.771	S	S	*	*	S	Bend	trans	-125.4	57	-178.3	-48.3	176.6	0	0	0	109.3	I27	I23-I27 HydrophobicContact CG2-CD1 4.43Å
24	T	27.1	Very low	28	Very low	128 Å²	128	148.9 Å²	148.9	79%	0.785	76%	0.76	S	S	*	*	S	Bend	trans	-137.6	7.2	163.7	-33.9	0	0	0	0	112.2
25	V	29.9	Very low	28.3	Very low	118 Å²	118	148.6 Å²	148.6	72%	0.715	76%	0.764	S	S	*	*	S	Bend	trans	-108.2	-10.8	177	178.6	0	0	0	0	112.4
26	F	27	Very low	28.9	Very low	168 Å²	168	148 Å²	148	74%	0.737	75%	0.753	S	S	*	*	S	Bend	trans	-106.8	5.5	-176.2	-95.9	-85.2	0	0	0	116.3
27	I	27.2	Very low	29.2	Very low	132 Å²	132	147.8 Å²	147.8	68%	0.677	75%	0.747	S	S	*	*	S	Bend	trans	-121	24.1	179.9	-55.4	175.3	0	0	0	112.1	I23	I23-I27 HydrophobicContact CG2-CD1 4.43Å
28	K	26.2	Very low	29.6	Very low	185 Å²	185	153.5 Å²	153.5	80%	0.804	75%	0.753	S	S	*	*	S	Bend	trans	-114.2	4.6	169.6	-100.4	-173.6	175.7	-174.9	0	115
29	I	30	Very low	30	Very low	127 Å²	127	148.4 Å²	148.4	65%	0.651	74%	0.744	S	S	*	*	S	Bend	trans	-99	-12.6	178.5	-65.4	175.5	0	0	0	112.3
30	Y	25	Very low	30.2	Very low	214 Å²	214	153.3 Å²	153.3	84%	0.839	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	15	-176.7	-94.3	-84	0	0	0	116.2
31	L	26.4	Very low	30.6	Very low	156 Å²	156	149.8 Å²	149.8	82%	0.817	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	7.4	176.2	-94.7	155.6	0	0	0	114.6	C33	L31-C33 PolarHBondContact O-N 3.07Å
32	Y	33.3	Very low	30.8	Very low	188 Å²	188	149.3 Å²	149.3	74%	0.737	74%	0.74	S	S	*	*			trans	-89.9	60.6	162.3	-78.4	-91.8	0	0	0	109.7
33	C	27.5	Very low	31	Very low	106 Å²	106	151 Å²	151	72%	0.716	74%	0.744	S	S	*	*			trans	-88.3	122.8	162.2	-159.5	0	0	0	0	106.1	L31 L35	L31-C33 PolarHBondContact O-N 3.07Å; C33-L35 PolarHBondContact O-N 2.78Å; C33-L35 VanDerWaalsContact O-N 3.16Å
34	P	36	Very low	31.6	Very low	88 Å²	88	152.5 Å²	152.5	57%	0.571	75%	0.753	S	S	*	*			trans	-55.9	127.1	171.9	20.5	-27.2	0	0	0	107.3	Y36	P34-Y36 HydrophobicContact CB-CD2 3.82Å; P34-Y36 HydrophobicContact CB-CE2 3.92Å; P34-Y36 HydrophobicContact CG-CD2 3.71Å; P34-Y36 HydrophobicContact CG-CE2 3.69Å; P34-Y36 PolarHBondContact O-N 3.27Å
35	L	32.9	Very low	33.1	Very low	165 Å²	165	150.3 Å²	150.3	86%	0.864	74%	0.743	S	S	*	*			trans	-67.6	72.3	167.5	-115.3	140.3	0	0	0	107.3	C33 L37	C33-L35 PolarHBondContact O-N 2.78Å; C33-L35 VanDerWaalsContact O-N 3.16Å; L35-L37 PolarHBondContact O-N 3.3Å
36	Y	38.4	Very low	35.3	Very low	157 Å²	157	150.3 Å²	150.3	62%	0.616	73%	0.73	S	S	*	*			trans	-60.8	110.3	149.3	-81.5	-88.1	0	0	0	104.8	P34 K38 P48	P34-Y36 HydrophobicContact CB-CD2 3.82Å; P34-Y36 HydrophobicContact CB-CE2 3.92Å; P34-Y36 HydrophobicContact CG-CD2 3.71Å; P34-Y36 HydrophobicContact CG-CE2 3.69Å; P34-Y36 PolarHBondContact O-N 3.27Å; Y36-K38 PolarHBondContact O-N 3.15Å; Y36-P48 HydrophobicContact CE1-CB 3.79Å
37	L	33.5	Very low	38.3	Very low	130 Å²	130	143 Å²	143	68%	0.681	70%	0.699	S	S	*	*			trans	-55.2	95.8	163.7	-91.9	138.7	0	0	0	107.2	L35 L39	L35-L37 PolarHBondContact O-N 3.3Å; L37-L39 PolarHBondContact O-N 2.88Å; L37-L39 VanDerWaalsContact O-N 3.07Å
38	K	32	Very low	41.3	Very low	185 Å²	185	139.5 Å²	139.5	80%	0.804	68%	0.684	S	S	*	*			trans	-67.4	100	172.4	-96	-173.5	169.4	-169.8	0	108.1	Y36	Y36-K38 PolarHBondContact O-N 3.15Å
39	L	33.3	Very low	44.5	Very low	143 Å²	143	131.1 Å²	131.1	75%	0.749	65%	0.649	S	S	*	*			trans	-124.8	135.9	153.7	-77.4	165.6	0	0	0	106.5	L37 Y41	L37-L39 PolarHBondContact O-N 2.88Å; L37-L39 VanDerWaalsContact O-N 3.07Å; L39-Y41 PolarHBondContact O-N 2.97Å
40	E	31.6	Very low	47.5	Very low	201 Å²	201	128.7 Å²	128.7	94%	0.939	63%	0.631	S	S	*	*	S	Bend	trans	-51.7	91.1	-168.6	-69.5	172.6	144.8	0	0	113.3
41	Y	37.8	Very low	50.9	Low	186 Å²	186	119.7 Å²	119.7	73%	0.729	60%	0.596	S	S	*	*	S	Bend	trans	-125.3	135.5	154.9	-91.2	-89.6	0	0	0	107.1	L39 E43	L39-Y41 PolarHBondContact O-N 2.97Å; Y41-E43 PolarHBondContact O-N 3.42Å
42	A	34.8	Very low	54.2	Low	81 Å²	81	116.1 Å²	116.1	67%	0.669	58%	0.577	S	S	*	*			trans	-31.2	125.6	-164.4	0	0	0	0	0	114	N44 S45	A42-N44 PolarHBondContact O-N 2.79Å; A42-S45 PolarHBondContact O-N 3.41Å
43	E	33.2	Very low	57.2	Low	188 Å²	188	107.9 Å²	107.9	88%	0.879	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	10.7	-179.3	-73.7	-175.3	137.3	0	0	115.4	Y41	Y41-E43 PolarHBondContact O-N 3.42Å
44	N	40.3	Very low	60.5	Low	157 Å²	157	105 Å²	105	84%	0.84	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.3	4.2	-175.9	-93.5	-13.9	0	0	0	116	A42 R46	A42-N44 PolarHBondContact O-N 2.79Å; N44-R46 PolarHBondContact O-N 2.74Å
45	S	58.5	Low	63.5	Low	81 Å²	81	102.2 Å²	102.2	57%	0.566	51%	0.509	S	S	*	.			trans	-77.5	111.7	175	-177.5	0	0	0	0	111.1	A42 N47	A42-S45 PolarHBondContact O-N 3.41Å; S45-N47 PolarHBondContact O-N 3.06Å; S45-N47 PolarHBondContact OG-N 2.83Å; S45-N47 PolarHBondContact OG-O 2.82Å
46	R	76.9	Confident	66.6	Low	118 Å²	118	99.4 Å²	99.4	45%	0.445	50%	0.495	S	S	.	.	S	Bend	trans	-66.5	-11.9	170.3	-72.2	-177.3	73.2	-166.8	4.3	113.2	N44 P48 E434 L470	N44-R46 PolarHBondContact O-N 2.74Å; R46-P48 VanDerWaalsContact O-CD 3.3Å; R46-P48 WeakPolarHBondContact O-CD 3.43Å; R46-E434 PolarHBondContact NH1-O 3.4Å; R46-E434 IonicContact NH1-OE2 3.14Å; R46-L470 HydrophobicContact CB-CD2 3.77Å
47	N	88.6	Confident	69.4	Low	15 Å²	15	95.3 Å²	95.3	8%	0.08	48%	0.481	C	S	.	.			trans	-96.9	108	176	-174.1	-14.1	0	0	0	110.3	S45 L49 Q437 Y439	S45-N47 PolarHBondContact O-N 3.06Å; S45-N47 PolarHBondContact OG-N 2.83Å; S45-N47 PolarHBondContact OG-O 2.82Å; N47-L49 WeakPolarHBondContact OD1-CB 3.47Å; N47-L49 VanDerWaalsContact OD1-CG 3.29Å; N47-L49 WeakPolarHBondContact OD1-CG 3.31Å; N47-L49 PolarHBondContact OD1-N 3.13Å; N47-L49 VanDerWaalsContact OD1-N 3.09Å; N47-Q437 VanDerWaalsContact CB-OE1 3.26Å; N47-Q437 PolarHBondContact ND2-OE1 3.49Å; N47-Y439 PolarHBondContact ND2-OH 3.34Å
48	P	90.2	Very high	72.5	Confident	58 Å²	58	89.1 Å²	89.1	38%	0.377	45%	0.449	S	S	.	.			trans	-86.4	1.3	-178.4	36.3	-40.3	0	0	0	114.8	Y36 R46 L458	Y36-P48 HydrophobicContact CE1-CB 3.79Å; R46-P48 VanDerWaalsContact O-CD 3.3Å; R46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-L458 HydrophobicContact CG-CD1 3.81Å
49	L	93.6	Very high	75.6	Confident	10 Å²	10	86.6 Å²	86.6	5%	0.052	43%	0.434	C	S	.	.			trans	-67.3	137	-172.6	-63.5	172	0	0	0	112.1	N47 W51 V106 Y439 L457 L458 V472	N47-L49 WeakPolarHBondContact OD1-CB 3.47Å; N47-L49 VanDerWaalsContact OD1-CG 3.29Å; N47-L49 WeakPolarHBondContact OD1-CG 3.31Å; N47-L49 PolarHBondContact OD1-N 3.13Å; N47-L49 VanDerWaalsContact OD1-N 3.09Å; L49-W51 HydrophobicContact CB-CH2 4.3Å; L49-W51 HydrophobicContact CB-CZ2 3.73Å; L49-W51 HydrophobicContact CD1-CH2 4.03Å; L49-W51 HydrophobicContact CD1-CZ2 3.6Å; L49-W51 HydrophobicContact CD2-CH2 4.44Å; L49-W51 HydrophobicContact CG-CH2 4.5Å; L49-W51 HydrophobicContact CG-CZ2 4.17Å; L49-V106 HydrophobicContact CB-CG1 4.35Å; L49-V106 HydrophobicContact CD2-CG1 3.38Å; L49-V106 HydrophobicContact CG-CG1 4.48Å; L49-Y439 HydrophobicContact CD1-CE2 4.4Å; L49-L457 HydrophobicContact CD1-CB 3.78Å; L49-L457 HydrophobicContact CD1-CD1 4.03Å; L49-L458 HydrophobicContact CD1-CD1 4.13Å; L49-L458 HydrophobicContact CD1-CG 4.07Å; L49-L458 HydrophobicContact CD2-CD1 4.09Å; L49-L458 HydrophobicContact CD2-CD2 3.82Å; L49-L458 HydrophobicContact CD2-CG 3.79Å; L49-L458 HydrophobicContact CG-CD1 3.81Å; L49-L458 HydrophobicContact CG-CD2 4.45Å; L49-L458 HydrophobicContact CG-CG 3.97Å; L49-V472 HydrophobicContact CD1-CB 4.02Å; L49-V472 HydrophobicContact CD1-CG1 3.73Å; L49-V472 HydrophobicContact CD1-CG2 4.43Å
50	R	93.5	Very high	78.7	Confident	75 Å²	75	83.2 Å²	83.2	28%	0.283	42%	0.423	S	S	.	.			trans	-117	132.1	175.2	-79.8	-171.5	53.3	-156.8	-8.6	110.7	D52 L53 E57	R50-D52 IonicContact CZ-OD1 3.54Å; R50-D52 IonicContact NE-OD1 3.98Å; R50-D52 PolarHBondContact NE-OD1 3.18Å; R50-D52 IonicContact NE-OD2 2.73Å; R50-D52 IonicContact NH2-OD1 3.85Å; R50-D52 PolarHBondContact NH2-OD1 2.83Å; R50-D52 IonicContact NH2-OD2 3.94Å; R50-L53 HydrophobicContact CB-CG 4.44Å; R50-E57 IonicContact CZ-OE1 3.72Å; R50-E57 IonicContact NH1-OE1 2.81Å; R50-E57 IonicContact NH2-OE1 3.16Å; R50-E57 PolarHBondContact NH2-OE1 3.4Å; R50-E57 VanDerWaalsContact NH2-OE1 3.13Å
51	W	95.8	Very high	81.8	Confident	26 Å²	26	76 Å²	76	10%	0.098	39%	0.392	C	S	.	.	S	Bend	trans	-114.9	6.2	179.7	-52.1	123.9	0	0	0	113.8	L49 F109 H415 W417 Y439 L457	L49-W51 HydrophobicContact CB-CH2 4.3Å; L49-W51 HydrophobicContact CB-CZ2 3.73Å; L49-W51 HydrophobicContact CD1-CH2 4.03Å; L49-W51 HydrophobicContact CD1-CZ2 3.6Å; L49-W51 HydrophobicContact CD2-CH2 4.44Å; L49-W51 HydrophobicContact CG-CH2 4.5Å; L49-W51 HydrophobicContact CG-CZ2 4.17Å; W51-F109 HydrophobicContact CE3-CD1 4.49Å; W51-F109 AromaticContact CH2-CD1 3.8Å; W51-F109 HydrophobicContact CH2-CD1 3.8Å; W51-F109 HydrophobicContact CH2-CE1 4.39Å; W51-F109 HydrophobicContact CZ3-CB 4.42Å; W51-F109 AromaticContact CZ3-CD1 3.66Å; W51-F109 HydrophobicContact CZ3-CD1 3.66Å; W51-F109 HydrophobicContact CZ3-CE1 4.5Å; W51-H415 AromaticContact CD1-ND1 3.94Å; W51-H415 VanDerWaalsContact CD1-O 3.29Å; W51-H415 PolarHBondContact N-CE1 3.34Å; W51-W417 HydrophobicContact CB-CB 4.12Å; W51-W417 AromaticContact CD1-CE3 3.86Å; W51-W417 AromaticContact CD2-CE3 3.56Å; W51-W417 HydrophobicContact CD2-CE3 3.56Å; W51-W417 HydrophobicContact CD2-CZ3 4.02Å; W51-W417 AromaticContact CE2-CE3 3.52Å; W51-W417 AromaticContact CE2-CZ3 3.49Å; W51-W417 VanDerWaalsContact CE2-CZ3 3.49Å; W51-W417 HydrophobicContact CE3-CE3 4.11Å; W51-W417 HydrophobicContact CG-CB 4.48Å; W51-W417 AromaticContact CG-CE3 3.77Å; W51-W417 HydrophobicContact CG-CE3 3.77Å; W51-W417 HydrophobicContact CH2-CZ3 4.18Å; W51-W417 HydrophobicContact CZ2-CE3 4.02Å; W51-W417 AromaticContact CZ2-CZ3 3.57Å; W51-W417 HydrophobicContact CZ2-CZ3 3.57Å; W51-W417 AromaticContact NE1-CE3 3.69Å; W51-W417 AromaticContact NE1-CZ3 3.72Å; W51-Y439 HydrophobicContact CZ2-CE2 4.02Å; W51-Y439 AromaticContact NE1-CE1 3.93Å; W51-Y439 AromaticContact NE1-CZ 3.46Å; W51-Y439 PolarHBondContact NE1-OH 3.14Å; W51-L457 HydrophobicContact CH2-CD1 3.76Å; W51-L457 HydrophobicContact CH2-CD2 4.2Å; W51-L457 HydrophobicContact CH2-CG 4.48Å; W51-L457 HydrophobicContact CZ2-CD1 3.76Å
52	D	95.5	Very high	84.7	Confident	80 Å²	80	67.1 Å²	67.1	43%	0.428	36%	0.357	S	S	.	.			trans	-109.4	16.3	-176	65.7	-22.4	0	0	0	112.7	R50 S54 H415	R50-D52 IonicContact CZ-OD1 3.54Å; R50-D52 IonicContact NE-OD1 3.98Å; R50-D52 PolarHBondContact NE-OD1 3.18Å; R50-D52 IonicContact NE-OD2 2.73Å; R50-D52 IonicContact NH2-OD1 3.85Å; R50-D52 PolarHBondContact NH2-OD1 2.83Å; R50-D52 IonicContact NH2-OD2 3.94Å; D52-S54 PolarHBondContact O-N 3.21Å; D52-H415 IonicContact OD1-CE1 2.78Å; D52-H415 IonicContact OD1-NE2 2.71Å
53	L	96.4	Very high	87.7	Confident	16 Å²	16	67 Å²	67	8%	0.084	35%	0.345	C	S	.	.			trans	-66.3	127.6	177.6	-63.5	172.6	0	0	0	110.6	R50 E57 I58 V106 L107	R50-L53 HydrophobicContact CB-CG 4.44Å; L53-E57 HydrophobicContact CB-CB 4.39Å; L53-E57 HydrophobicContact CD2-CB 4.08Å; L53-I58 HydrophobicContact CB-CD1 4.43Å; L53-I58 HydrophobicContact CB-CG1 3.81Å; L53-I58 HydrophobicContact CD1-CG1 4.33Å; L53-V106 HydrophobicContact CD1-CB 4.28Å; L53-V106 HydrophobicContact CD1-CG2 4.37Å; L53-L107 HydrophobicContact CD1-CD2 4.41Å
54	S	98.1	Very high	90.7	Very high	46 Å²	46	61.6 Å²	61.6	32%	0.322	33%	0.325	S	S	.	.			trans	-69	160	169.1	63.2	0	0	0	0	111.7	D52 D56 E57 I58	D52-S54 PolarHBondContact O-N 3.21Å; S54-D56 PolarHBondContact O-N 2.97Å; S54-E57 WeakPolarHBondContact CB-OE2 3.23Å; S54-E57 PolarHBondContact N-OE2 2.9Å; S54-E57 PolarHBondContact O-N 3.23Å; S54-E57 VanDerWaalsContact O-N 3.15Å; S54-E57 WeakPolarHBondContact OG-CB 3.44Å; S54-E57 VanDerWaalsContact OG-CG 3.31Å; S54-E57 WeakPolarHBondContact OG-CG 3.11Å; S54-E57 PolarHBondContact OG-N 3.16Å; S54-E57 PolarHBondContact OG-OE2 2.91Å; S54-I58 WeakPolarHBondContact O-CG1 3.39Å; S54-I58 PolarHBondContact O-N 2.72Å
55	P	98.1	Very high	93.4	Very high	28 Å²	28	54.1 Å²	54.1	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-52.8	-37.8	175.7	-29.7	37.5	0	0	0	114.2	R59 E118 V119 A122	P55-R59 WeakPolarHBondContact O-CG 3.39Å; P55-R59 PolarHBondContact O-N 3.2Å; P55-E118 HydrophobicContact CG-CB 4.07Å; P55-V119 HydrophobicContact CG-CG2 4.06Å; P55-A122 HydrophobicContact CB-CB 3.82Å
56	D	98.1	Very high	95.3	Very high	107 Å²	107	51.8 Å²	51.8	57%	0.572	27%	0.266	S	S	*	.	H	α-helix	trans	-76.5	-35.4	179.5	-71.1	-28.1	0	0	0	112.6	S54 R59 S60	S54-D56 PolarHBondContact O-N 2.97Å; D56-R59 PolarHBondContact O-N 3.39Å; D56-R59 IonicContact OD1-CZ 3.88Å; D56-R59 IonicContact OD1-NH1 2.88Å; D56-R59 PolarHBondContact OD1-NH1 3.45Å; D56-S60 WeakPolarHBondContact O-CB 3.37Å; D56-S60 PolarHBondContact O-N 2.96Å
57	E	97.9	Very high	96.3	Very high	70 Å²	70	49 Å²	49	33%	0.327	27%	0.269	S	S	.	.	H	α-helix	trans	-61.9	-44.5	170.5	-77.9	169.6	112.3	0	0	111.2	R50 L53 S54 R59 S60 V61	R50-E57 IonicContact CZ-OE1 3.72Å; R50-E57 IonicContact NH1-OE1 2.81Å; R50-E57 IonicContact NH2-OE1 3.16Å; R50-E57 PolarHBondContact NH2-OE1 3.4Å; R50-E57 VanDerWaalsContact NH2-OE1 3.13Å; L53-E57 HydrophobicContact CB-CB 4.39Å; L53-E57 HydrophobicContact CD2-CB 4.08Å; S54-E57 WeakPolarHBondContact CB-OE2 3.23Å; S54-E57 PolarHBondContact N-OE2 2.9Å; S54-E57 PolarHBondContact O-N 3.23Å; S54-E57 VanDerWaalsContact O-N 3.15Å; S54-E57 WeakPolarHBondContact OG-CB 3.44Å; S54-E57 VanDerWaalsContact OG-CG 3.31Å; S54-E57 WeakPolarHBondContact OG-CG 3.11Å; S54-E57 PolarHBondContact OG-N 3.16Å; S54-E57 PolarHBondContact OG-OE2 2.91Å; E57-R59 VanDerWaalsContact C-N 3.33Å; E57-R59 PolarHBondContact O-N 2.83Å; E57-S60 PolarHBondContact O-N 3.25Å; E57-V61 WeakPolarHBondContact O-CB 3.35Å; E57-V61 VanDerWaalsContact O-CG2 3.23Å; E57-V61 WeakPolarHBondContact O-CG2 3.49Å; E57-V61 PolarHBondContact O-N 3.09Å
58	I	97.8	Very high	96.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-54.1	-52.4	176.4	-70.2	174.1	0	0	0	109.8	L53 S54 S60 V61 T62 L107 V119 A122 A126	L53-I58 HydrophobicContact CB-CD1 4.43Å; L53-I58 HydrophobicContact CB-CG1 3.81Å; L53-I58 HydrophobicContact CD1-CG1 4.33Å; S54-I58 WeakPolarHBondContact O-CG1 3.39Å; S54-I58 PolarHBondContact O-N 2.72Å; I58-S60 PolarHBondContact O-N 3.25Å; I58-V61 PolarHBondContact O-N 3.32Å; I58-T62 WeakPolarHBondContact O-CB 3.27Å; I58-T62 PolarHBondContact O-N 3.36Å; I58-T62 PolarHBondContact O-OG1 3.38Å; I58-L107 HydrophobicContact CG2-CD2 4.29Å; I58-V119 HydrophobicContact CD1-CG1 3.82Å; I58-A122 HydrophobicContact CB-CB 4.43Å; I58-A122 HydrophobicContact CD1-CB 4.43Å; I58-A122 HydrophobicContact CG2-CB 4.36Å; I58-A126 HydrophobicContact CG2-CB 3.73Å
59	R	97.5	Very high	97.1	Very high	131 Å²	131	50.5 Å²	50.5	49%	0.494	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-48	178.9	-68.1	167.5	-176.8	163.7	-3	112.3	P55 D56 E57 T62 D63	P55-R59 WeakPolarHBondContact O-CG 3.39Å; P55-R59 PolarHBondContact O-N 3.2Å; D56-R59 PolarHBondContact O-N 3.39Å; D56-R59 IonicContact OD1-CZ 3.88Å; D56-R59 IonicContact OD1-NH1 2.88Å; D56-R59 PolarHBondContact OD1-NH1 3.45Å; E57-R59 VanDerWaalsContact C-N 3.33Å; E57-R59 PolarHBondContact O-N 2.83Å; R59-T62 WeakPolarHBondContact O-CB 3.42Å; R59-T62 PolarHBondContact O-N 2.84Å; R59-D63 PolarHBondContact O-N 3.26Å; R59-D63 VanDerWaalsContact O-N 3.09Å
60	S	97.7	Very high	97.3	Very high	73 Å²	73	53.2 Å²	53.2	51%	0.51	28%	0.277	S	S	.	.	H	α-helix	trans	-64.9	-40.2	-178.5	-174.8	0	0	0	0	112.3	D56 E57 I58 T64	D56-S60 WeakPolarHBondContact O-CB 3.37Å; D56-S60 PolarHBondContact O-N 2.96Å; E57-S60 PolarHBondContact O-N 3.25Å; I58-S60 PolarHBondContact O-N 3.25Å; S60-T64 WeakPolarHBondContact O-CB 3.48Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 PolarHBondContact O-OG1 2.88Å
61	V	97.2	Very high	97.6	Very high	48 Å²	48	55.2 Å²	55.2	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-71	-38.3	179	177.2	0	0	0	0	110.3	E57 I58 T64 L65 L107	E57-V61 WeakPolarHBondContact O-CB 3.35Å; E57-V61 VanDerWaalsContact O-CG2 3.23Å; E57-V61 WeakPolarHBondContact O-CG2 3.49Å; E57-V61 PolarHBondContact O-N 3.09Å; I58-V61 PolarHBondContact O-N 3.32Å; V61-T64 PolarHBondContact O-N 2.78Å; V61-L65 VanDerWaalsContact O-CB 3.27Å; V61-L65 WeakPolarHBondContact O-CB 3.47Å; V61-L65 PolarHBondContact O-N 3.44Å; V61-L107 HydrophobicContact CB-CD2 3.84Å; V61-L107 HydrophobicContact CG1-CD1 4.23Å; V61-L107 HydrophobicContact CG1-CD2 3.75Å; V61-L107 HydrophobicContact CG1-CG 4.44Å
62	T	98.1	Very high	97.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-55.8	-53.1	171.7	-59.9	0	0	0	0	111.7	I58 R59 T64 L65 I66 A126 K129 L130	I58-T62 WeakPolarHBondContact O-CB 3.27Å; I58-T62 PolarHBondContact O-N 3.36Å; I58-T62 PolarHBondContact O-OG1 3.38Å; R59-T62 WeakPolarHBondContact O-CB 3.42Å; R59-T62 PolarHBondContact O-N 2.84Å; T62-T64 VanDerWaalsContact C-N 3.3Å; T62-T64 PolarHBondContact O-N 3Å; T62-L65 PolarHBondContact O-N 3.47Å; T62-I66 HydrophobicContact CG2-CD1 3.95Å; T62-I66 WeakPolarHBondContact O-CG1 3.46Å; T62-I66 PolarHBondContact O-N 2.71Å; T62-A126 HydrophobicContact CG2-CB 4.27Å; T62-A126 WeakPolarHBondContact OG1-CB 3.04Å; T62-K129 HydrophobicContact CG2-CB 4.1Å; T62-K129 HydrophobicContact CG2-CD 4.14Å; T62-L130 HydrophobicContact CG2-CD1 4.48Å; T62-L130 HydrophobicContact CG2-CD2 4.16Å; T62-L130 HydrophobicContact CG2-CG 4.01Å
63	D	97.9	Very high	97.8	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-37.5	-177.5	-67.9	-20.5	0	0	0	111.3	R59 A67 K129	R59-D63 PolarHBondContact O-N 3.26Å; R59-D63 VanDerWaalsContact O-N 3.09Å; D63-A67 WeakPolarHBondContact O-CB 3.35Å; D63-A67 PolarHBondContact O-N 2.92Å; D63-K129 IonicContact OD1-NZ 3.43Å; D63-K129 PolarHBondContact OD1-NZ 2.93Å; D63-K129 IonicContact OD2-NZ 3.94Å
64	T	97.7	Very high	97.9	Very high	75 Å²	75	55.1 Å²	55.1	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-66.2	-42.3	175.8	-58.2	0	0	0	0	112.1	S60 V61 T62 A67 R68	S60-T64 WeakPolarHBondContact O-CB 3.48Å; S60-T64 PolarHBondContact O-N 2.98Å; S60-T64 PolarHBondContact O-OG1 2.88Å; V61-T64 PolarHBondContact O-N 2.78Å; T62-T64 VanDerWaalsContact C-N 3.3Å; T62-T64 PolarHBondContact O-N 3Å; T64-A67 PolarHBondContact O-N 3.37Å; T64-R68 WeakPolarHBondContact O-CB 3.34Å; T64-R68 PolarHBondContact O-N 3.05Å
65	L	97.4	Very high	98	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-48.8	178.2	179	59.2	0	0	0	110.8	V61 T62 A67 R68 V69 Y100 L107 L130	V61-L65 VanDerWaalsContact O-CB 3.27Å; V61-L65 WeakPolarHBondContact O-CB 3.47Å; V61-L65 PolarHBondContact O-N 3.44Å; T62-L65 PolarHBondContact O-N 3.47Å; L65-A67 PolarHBondContact O-N 3.47Å; L65-R68 PolarHBondContact O-N 3.12Å; L65-V69 HydrophobicContact CD1-CG2 3.98Å; L65-V69 WeakPolarHBondContact O-CG2 3.38Å; L65-V69 PolarHBondContact O-N 3.29Å; L65-Y100 HydrophobicContact CD1-CD2 4.2Å; L65-Y100 HydrophobicContact CD2-CD2 3.89Å; L65-Y100 HydrophobicContact CD2-CE2 4.08Å; L65-Y100 HydrophobicContact CG-CD2 3.91Å; L65-Y100 HydrophobicContact CG-CE2 4.27Å; L65-L107 HydrophobicContact CD2-CD1 3.92Å; L65-L130 HydrophobicContact CD2-CD2 4.08Å
66	I	98	Very high	98	Very high	31 Å²	31	55.7 Å²	55.7	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-56.1	-51.2	176.5	-71.2	170.9	0	0	0	110.2	T62 R68 V69 K70 K129 L130 F133	T62-I66 HydrophobicContact CG2-CD1 3.95Å; T62-I66 WeakPolarHBondContact O-CG1 3.46Å; T62-I66 PolarHBondContact O-N 2.71Å; I66-R68 VanDerWaalsContact C-N 3.32Å; I66-R68 PolarHBondContact O-N 3.29Å; I66-V69 PolarHBondContact O-N 3.09Å; I66-K70 WeakPolarHBondContact O-CB 3.08Å; I66-K70 PolarHBondContact O-N 3.34Å; I66-K129 HydrophobicContact CD1-CB 4.28Å; I66-L130 HydrophobicContact CD1-CD2 4.34Å; I66-L130 HydrophobicContact CG1-CD2 4Å; I66-F133 HydrophobicContact CB-CG 4.48Å; I66-F133 HydrophobicContact CD1-CB 4.28Å; I66-F133 HydrophobicContact CG1-CB 4.17Å; I66-F133 HydrophobicContact CG1-CD1 4.01Å; I66-F133 HydrophobicContact CG1-CG 3.99Å; I66-F133 HydrophobicContact CG2-CD2 3.73Å; I66-F133 HydrophobicContact CG2-CE2 3.92Å; I66-F133 HydrophobicContact CG2-CG 4.04Å; I66-F133 HydrophobicContact CG2-CZ 4.38Å
67	A	98.2	Very high	98	Very high	60 Å²	60	50.9 Å²	50.9	50%	0.496	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-41.6	-179.5	0	0	0	0	0	112.6	D63 T64 L65 K71	D63-A67 WeakPolarHBondContact O-CB 3.35Å; D63-A67 PolarHBondContact O-N 2.92Å; T64-A67 PolarHBondContact O-N 3.37Å; L65-A67 PolarHBondContact O-N 3.47Å; A67-K71 WeakPolarHBondContact O-CB 3.32Å; A67-K71 PolarHBondContact O-N 2.97Å; A67-K71 VanDerWaalsContact O-N 3.12Å
68	R	97.1	Very high	98	Very high	103 Å²	103	51.6 Å²	51.6	39%	0.389	27%	0.274	S	S	.	.	H	α-helix	trans	-66.9	-48.2	-179.3	-175.7	170.1	70.7	-134.5	8.6	112.1	T64 L65 I66 K71 D99 S103	T64-R68 WeakPolarHBondContact O-CB 3.34Å; T64-R68 PolarHBondContact O-N 3.05Å; L65-R68 PolarHBondContact O-N 3.12Å; I66-R68 VanDerWaalsContact C-N 3.32Å; I66-R68 PolarHBondContact O-N 3.29Å; R68-K71 PolarHBondContact O-N 3.39Å; R68-D99 IonicContact CZ-OD1 3.88Å; R68-D99 IonicContact CZ-OD2 3.13Å; R68-D99 IonicContact NE-OD1 2.63Å; R68-D99 IonicContact NE-OD2 3.66Å; R68-D99 PolarHBondContact NE-OD2 2.67Å; R68-D99 IonicContact NH2-OD1 2.67Å; R68-D99 PolarHBondContact NH2-OD1 2.7Å; R68-D99 IonicContact NH2-OD2 3.68Å; R68-D99 PolarHBondContact NH2-OD2 2.88Å; R68-D99 VanDerWaalsContact NH2-OD2 3.16Å; R68-S103 PolarHBondContact NH2-OG 2.92Å
69	V	98.1	Very high	98	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	28%	0.282	C	S	.	.	H	α-helix	trans	-68.1	-43.2	179.6	175.3	0	0	0	0	110.5	L65 I66 K71 V72 Y73 Y100 F133	L65-V69 HydrophobicContact CD1-CG2 3.98Å; L65-V69 WeakPolarHBondContact O-CG2 3.38Å; L65-V69 PolarHBondContact O-N 3.29Å; I66-V69 PolarHBondContact O-N 3.09Å; V69-K71 VanDerWaalsContact C-N 3.27Å; V69-K71 PolarHBondContact O-N 3.31Å; V69-V72 PolarHBondContact O-N 3.24Å; V69-V72 VanDerWaalsContact O-N 3.09Å; V69-Y73 HydrophobicContact CG1-CD2 4Å; V69-Y73 HydrophobicContact CG1-CE2 3.88Å; V69-Y73 WeakPolarHBondContact O-CD2 3.13Å; V69-Y73 PolarHBondContact O-N 2.84Å; V69-Y100 HydrophobicContact CG2-CD2 3.93Å; V69-Y100 HydrophobicContact CG2-CG 4.35Å; V69-F133 HydrophobicContact CB-CE1 3.92Å; V69-F133 HydrophobicContact CB-CZ 4Å; V69-F133 HydrophobicContact CG1-CE1 3.79Å; V69-F133 HydrophobicContact CG1-CZ 3.91Å
70	K	98.2	Very high	98	Very high	67 Å²	67	53.9 Å²	53.9	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-41.5	177.7	-176.4	165	177.8	157.2	0	112.2	I66 V72 Y73 D74 F133 E136	I66-K70 WeakPolarHBondContact O-CB 3.08Å; I66-K70 PolarHBondContact O-N 3.34Å; K70-V72 VanDerWaalsContact C-N 3.3Å; K70-V72 PolarHBondContact O-N 3.44Å; K70-Y73 PolarHBondContact O-N 2.71Å; K70-Y73 VanDerWaalsContact O-N 3.13Å; K70-D74 VanDerWaalsContact O-CG 3.29Å; K70-D74 PolarHBondContact O-N 3.38Å; K70-F133 HydrophobicContact CB-CE2 3.81Å; K70-F133 HydrophobicContact CB-CZ 3.96Å; K70-F133 HydrophobicContact CD-CE2 4.34Å; K70-F133 HydrophobicContact CG-CE2 4.35Å; K70-E136 VanDerWaalsContact CE-OE1 3.32Å; K70-E136 WeakPolarHBondContact CE-OE1 3.32Å; K70-E136 IonicContact NZ-OE1 2.83Å; K70-E136 PolarHBondContact NZ-OE1 3.39Å; K70-E136 IonicContact NZ-OE2 3.18Å
71	K	98.5	Very high	97.9	Very high	116 Å²	116	53.6 Å²	53.6	50%	0.504	28%	0.283	S	S	.	.	H	α-helix	trans	-55.9	-43	176.8	-176.2	-177.3	173.4	-169.3	0	112.4	A67 R68 V69 D74 E75	A67-K71 WeakPolarHBondContact O-CB 3.32Å; A67-K71 PolarHBondContact O-N 2.97Å; A67-K71 VanDerWaalsContact O-N 3.12Å; R68-K71 PolarHBondContact O-N 3.39Å; V69-K71 VanDerWaalsContact C-N 3.27Å; V69-K71 PolarHBondContact O-N 3.31Å; K71-D74 PolarHBondContact O-N 2.74Å; K71-E75 WeakPolarHBondContact CE-OE1 3.44Å; K71-E75 IonicContact NZ-OE1 3.98Å; K71-E75 WeakPolarHBondContact O-CG 3.42Å; K71-E75 PolarHBondContact O-N 3.13Å
72	V	98.4	Very high	97.8	Very high	36 Å²	36	58.5 Å²	58.5	22%	0.218	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-42.4	178	-178	0	0	0	0	110.9	V69 K70 D74 E75 V76 A92 A96	V69-V72 PolarHBondContact O-N 3.24Å; V69-V72 VanDerWaalsContact O-N 3.09Å; K70-V72 VanDerWaalsContact C-N 3.3Å; K70-V72 PolarHBondContact O-N 3.44Å; V72-D74 VanDerWaalsContact C-N 3.31Å; V72-D74 PolarHBondContact O-N 3.34Å; V72-E75 PolarHBondContact O-N 2.72Å; V72-V76 HydrophobicContact CG1-CG2 4.47Å; V72-V76 WeakPolarHBondContact O-CG2 3.46Å; V72-V76 PolarHBondContact O-N 3.12Å; V72-A92 HydrophobicContact CG1-CB 4.32Å; V72-A96 HydrophobicContact CB-CB 3.97Å; V72-A96 HydrophobicContact CG1-CB 3.86Å; V72-A96 HydrophobicContact CG2-CB 4.26Å
73	Y	98.5	Very high	97.6	Very high	14 Å²	14	61 Å²	61	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-36.4	175.5	-83.5	-105.9	0	0	0	112.2	V69 K70 G77 L93 A96 K97 I137 R140 V143	V69-Y73 HydrophobicContact CG1-CD2 4Å; V69-Y73 HydrophobicContact CG1-CE2 3.88Å; V69-Y73 WeakPolarHBondContact O-CD2 3.13Å; V69-Y73 PolarHBondContact O-N 2.84Å; K70-Y73 PolarHBondContact O-N 2.71Å; K70-Y73 VanDerWaalsContact O-N 3.13Å; Y73-G77 WeakPolarHBondContact O-CA 3.44Å; Y73-G77 PolarHBondContact O-N 2.68Å; Y73-L93 HydrophobicContact CD1-CD2 4.08Å; Y73-L93 HydrophobicContact CD2-CD2 4.29Å; Y73-L93 HydrophobicContact CE1-CD2 3.84Å; Y73-L93 HydrophobicContact CE2-CD2 4.08Å; Y73-L93 HydrophobicContact CG-CD2 4.3Å; Y73-A96 HydrophobicContact CE2-CB 4.34Å; Y73-K97 WeakPolarHBondContact OH-CE 3.3Å; Y73-I137 HydrophobicContact CD1-CB 4Å; Y73-I137 HydrophobicContact CD1-CG2 4.38Å; Y73-I137 HydrophobicContact CE1-CB 3.89Å; Y73-I137 HydrophobicContact CE1-CD1 4.49Å; Y73-I137 HydrophobicContact CE1-CG1 4.45Å; Y73-I137 HydrophobicContact CE2-CD1 4.31Å; Y73-I137 HydrophobicContact CG-CB 4.47Å; Y73-I137 HydrophobicContact CG-CG2 4.39Å; Y73-R140 PolarHBondContact O-NH2 3.4Å; Y73-V143 HydrophobicContact CD1-CG1 4.29Å; Y73-V143 HydrophobicContact CD1-CG2 4.13Å; Y73-V143 VanDerWaalsContact O-CG2 3.3Å; Y73-V143 WeakPolarHBondContact O-CG2 3.38Å
74	D	98.6	Very high	97.5	Very high	70 Å²	70	57.7 Å²	57.7	37%	0.374	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-42.7	173.6	-67.9	-20.2	0	0	0	112.1	K70 K71 V72 G77 S78 R140	K70-D74 VanDerWaalsContact O-CG 3.29Å; K70-D74 PolarHBondContact O-N 3.38Å; K71-D74 PolarHBondContact O-N 2.74Å; V72-D74 VanDerWaalsContact C-N 3.31Å; V72-D74 PolarHBondContact O-N 3.34Å; D74-G77 PolarHBondContact O-N 3.28Å; D74-S78 VanDerWaalsContact O-CB 3.32Å; D74-S78 WeakPolarHBondContact O-CB 3.44Å; D74-S78 PolarHBondContact O-N 3.13Å; D74-S78 PolarHBondContact O-OG 3.49Å; D74-R140 IonicContact OD1-CZ 3.77Å; D74-R140 IonicContact OD1-NH1 2.67Å; D74-R140 PolarHBondContact OD1-NH1 2.83Å; D74-R140 IonicContact OD1-NH2 3.06Å; D74-R140 PolarHBondContact OD1-NH2 3.4Å
75	E	98.5	Very high	97.3	Very high	85 Å²	85	55.9 Å²	55.9	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-52.1	174.9	-73.8	171.4	-178.1	0	0	110.7	K71 V72 G77 S78 L79	K71-E75 WeakPolarHBondContact CE-OE1 3.44Å; K71-E75 IonicContact NZ-OE1 3.98Å; K71-E75 WeakPolarHBondContact O-CG 3.42Å; K71-E75 PolarHBondContact O-N 3.13Å; V72-E75 PolarHBondContact O-N 2.72Å; E75-G77 PolarHBondContact O-N 3.38Å; E75-S78 PolarHBondContact O-N 3.33Å; E75-S78 VanDerWaalsContact O-N 3.13Å; E75-S78 PolarHBondContact O-OG 2.86Å; E75-L79 PolarHBondContact O-N 2.89Å
76	V	98.5	Very high	97.1	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-43.8	176.7	175.2	0	0	0	0	111.5	V72 S78 L79 T89 A92 L93 V143 R146	V72-V76 HydrophobicContact CG1-CG2 4.47Å; V72-V76 WeakPolarHBondContact O-CG2 3.46Å; V72-V76 PolarHBondContact O-N 3.12Å; V76-S78 PolarHBondContact O-N 3.28Å; V76-L79 PolarHBondContact O-N 3.32Å; V76-T89 HydrophobicContact CG1-CG2 4.06Å; V76-A92 HydrophobicContact CG2-CB 4.02Å; V76-L93 HydrophobicContact CG1-CD1 4.38Å; V76-L93 HydrophobicContact CG1-CD2 4.46Å; V76-L93 HydrophobicContact CG1-CG 4.41Å; V76-L93 HydrophobicContact CG2-CD2 4.28Å; V76-L93 HydrophobicContact CG2-CG 4.32Å; V76-V143 HydrophobicContact CG1-CG1 4.16Å; V76-R146 HydrophobicContact CG1-CB 4.49Å
77	G	98.3	Very high	96.9	Very high	6 Å²	6	61.6 Å²	61.6	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-17.3	178.1	0	0	0	0	0	114.1	Y73 D74 E75 D142 R146	Y73-G77 WeakPolarHBondContact O-CA 3.44Å; Y73-G77 PolarHBondContact O-N 2.68Å; D74-G77 PolarHBondContact O-N 3.28Å; E75-G77 PolarHBondContact O-N 3.38Å; G77-D142 WeakPolarHBondContact CA-OD2 3.41Å; G77-R146 PolarHBondContact O-NH1 3.07Å; G77-R146 PolarHBondContact O-NH2 3.44Å; G77-R146 VanDerWaalsContact O-NH2 3.12Å
78	S	98.2	Very high	96.8	Very high	85 Å²	85	61.2 Å²	61.2	59%	0.594	31%	0.311	S	S	*	.	H	α-helix	trans	-94.3	-15.1	178.4	75.5	0	0	0	0	114.4	D74 E75 V76	D74-S78 VanDerWaalsContact O-CB 3.32Å; D74-S78 WeakPolarHBondContact O-CB 3.44Å; D74-S78 PolarHBondContact O-N 3.13Å; D74-S78 PolarHBondContact O-OG 3.49Å; E75-S78 PolarHBondContact O-N 3.33Å; E75-S78 VanDerWaalsContact O-N 3.13Å; E75-S78 PolarHBondContact O-OG 2.86Å; V76-S78 PolarHBondContact O-N 3.28Å
79	L	98.2	Very high	96.8	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.188	29%	0.293	C	S	.	.	S	Bend	trans	-57.2	140.5	-176	-67.6	173.9	0	0	0	112.8	E75 V76 I81 V84 N88 R146	E75-L79 PolarHBondContact O-N 2.89Å; V76-L79 PolarHBondContact O-N 3.32Å; L79-I81 PolarHBondContact O-N 3.4Å; L79-V84 HydrophobicContact CB-CG1 4.5Å; L79-N88 HydrophobicContact CD1-CB 4.21Å; L79-N88 WeakPolarHBondContact CD1-O 3.29Å; L79-R146 HydrophobicContact CB-CG 4.3Å; L79-R146 PolarHBondContact O-NE 2.8Å; L79-R146 PolarHBondContact O-NH2 3.22Å
80	H	97.4	Very high	96.6	Very high	143 Å²	143	56.4 Å²	56.4	66%	0.662	29%	0.293	S	S	*	.			trans	-63.5	137.4	167.7	-71.1	-78.5	0	0	0	109.8	E82 S83 V84	H80-E82 PolarHBondContact O-N 3.07Å; H80-S83 PolarHBondContact N-OG 3.48Å; H80-S83 WeakPolarHBondContact O-CA 3.34Å; H80-S83 WeakPolarHBondContact O-CB 3.22Å; H80-S83 PolarHBondContact O-N 3.16Å; H80-S83 PolarHBondContact O-OG 3.22Å; H80-V84 PolarHBondContact O-N 2.79Å
81	I	96	Very high	96.5	Very high	68 Å²	68	57.2 Å²	57.2	35%	0.349	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-59.5	-33.4	-175.7	-66.6	-64.5	0	0	0	111.3	L79 S83 V84 K145 R146 A149 K153	L79-I81 PolarHBondContact O-N 3.4Å; I81-S83 PolarHBondContact O-N 3.45Å; I81-V84 WeakPolarHBondContact O-CG2 3.31Å; I81-K145 HydrophobicContact CD1-CB 4.43Å; I81-R146 HydrophobicContact CD1-CG 4.16Å; I81-A149 HydrophobicContact CD1-CB 4.18Å; I81-A149 HydrophobicContact CG2-CB 3.75Å; I81-K153 PolarHBondContact O-NZ 2.95Å
82	E	93.4	Very high	96.4	Very high	151 Å²	151	52.8 Å²	52.8	71%	0.706	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69.7	-21.7	176.5	-57.6	78.4	-169.6	0	0	112.5	H80 K153	H80-E82 PolarHBondContact O-N 3.07Å; E82-K153 PolarHBondContact O-NZ 2.9Å
83	S	94.6	Very high	96.3	Very high	53 Å²	53	51.2 Å²	51.2	37%	0.371	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-96.6	-6.1	-177.2	71.3	0	0	0	0	115.2	H80 I81 S85 N88	H80-S83 PolarHBondContact N-OG 3.48Å; H80-S83 WeakPolarHBondContact O-CA 3.34Å; H80-S83 WeakPolarHBondContact O-CB 3.22Å; H80-S83 PolarHBondContact O-N 3.16Å; H80-S83 PolarHBondContact O-OG 3.22Å; I81-S83 PolarHBondContact O-N 3.45Å; S83-S85 PolarHBondContact O-N 2.89Å; S83-N88 PolarHBondContact O-ND2 3.19Å
84	V	95.9	Very high	96.2	Very high	8 Å²	8	51 Å²	51	5%	0.048	27%	0.274	C	S	.	.			trans	-61.4	136	178.7	-54.2	0	0	0	0	110.9	L79 H80 I81 R146 A149 L150 K153	L79-V84 HydrophobicContact CB-CG1 4.5Å; H80-V84 PolarHBondContact O-N 2.79Å; I81-V84 WeakPolarHBondContact O-CG2 3.31Å; V84-R146 HydrophobicContact CG1-CB 3.88Å; V84-R146 HydrophobicContact CG1-CG 3.52Å; V84-A149 HydrophobicContact CG2-CB 4.01Å; V84-L150 HydrophobicContact CG2-CB 4.29Å; V84-K153 HydrophobicContact CG2-CD 3.78Å
85	S	93.7	Very high	96.1	Very high	37 Å²	37	50.4 Å²	50.4	26%	0.259	27%	0.271	S	S	.	.			trans	-142.5	170.9	179.5	58.3	0	0	0	0	109.9	S83 E87 N88 T89	S83-S85 PolarHBondContact O-N 2.89Å; S85-E87 VanDerWaalsContact C-N 3.3Å; S85-E87 WeakPolarHBondContact CB-OE2 3.2Å; S85-E87 PolarHBondContact O-N 3.19Å; S85-E87 PolarHBondContact OG-OE2 3.32Å; S85-N88 PolarHBondContact N-OD1 2.88Å; S85-N88 PolarHBondContact O-OD1 3.21Å; S85-N88 PolarHBondContact OG-N 2.95Å; S85-N88 PolarHBondContact OG-ND2 3.48Å; S85-N88 PolarHBondContact OG-OD1 2.89Å; S85-N88 VanDerWaalsContact OG-OD1 3.13Å; S85-T89 VanDerWaalsContact O-CB 3.28Å; S85-T89 WeakPolarHBondContact O-CB 3.4Å; S85-T89 PolarHBondContact O-N 3.42Å
86	T	92.9	Very high	96	Very high	34 Å²	34	46.6 Å²	46.6	21%	0.209	25%	0.254	C	S	.	.	I	π-helix	trans	-60.1	-43.9	176.6	-59.5	0	0	0	0	110.7	L90 E91	T86-L90 HydrophobicContact CG2-CB 4.23Å; T86-L90 HydrophobicContact CG2-CD2 4.23Å; T86-L90 WeakPolarHBondContact O-CA 3.42Å; T86-L90 WeakPolarHBondContact O-CB 3.4Å; T86-L90 PolarHBondContact O-N 2.9Å; T86-E91 HydrophobicContact CG2-CG 4.37Å; T86-E91 PolarHBondContact O-N 3.28Å
87	E	93.4	Very high	95.9	Very high	118 Å²	118	48.9 Å²	48.9	55%	0.551	26%	0.264	S	S	*	.	I	π-helix	trans	-68.3	-50.7	-175.1	-58.4	78.9	-177.3	0	0	111.5	S85 T89 A92	S85-E87 VanDerWaalsContact C-N 3.3Å; S85-E87 WeakPolarHBondContact CB-OE2 3.2Å; S85-E87 PolarHBondContact O-N 3.19Å; S85-E87 PolarHBondContact OG-OE2 3.32Å; E87-T89 VanDerWaalsContact C-N 3.31Å; E87-T89 PolarHBondContact O-N 3.45Å; E87-A92 PolarHBondContact O-N 3.05Å
88	N	96.1	Very high	95.8	Very high	52 Å²	52	49.1 Å²	49.1	28%	0.278	26%	0.263	S	S	.	.	I	π-helix	trans	-81.4	-7.7	-174.6	72.5	20.2	0	0	0	114.4	L79 S83 S85	L79-N88 HydrophobicContact CD1-CB 4.21Å; L79-N88 WeakPolarHBondContact CD1-O 3.29Å; S83-N88 PolarHBondContact O-ND2 3.19Å; S85-N88 PolarHBondContact N-OD1 2.88Å; S85-N88 PolarHBondContact O-OD1 3.21Å; S85-N88 PolarHBondContact OG-N 2.95Å; S85-N88 PolarHBondContact OG-ND2 3.48Å; S85-N88 PolarHBondContact OG-OD1 2.89Å; S85-N88 VanDerWaalsContact OG-OD1 3.13Å
89	T	96.6	Very high	95.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	25%	0.248	C	C	.	.	I	π-helix	trans	-125.2	-63.3	-178.1	-57.2	0	0	0	0	111.6	V76 S85 E87 L93 R146 L150	V76-T89 HydrophobicContact CG1-CG2 4.06Å; S85-T89 VanDerWaalsContact O-CB 3.28Å; S85-T89 WeakPolarHBondContact O-CB 3.4Å; S85-T89 PolarHBondContact O-N 3.42Å; E87-T89 VanDerWaalsContact C-N 3.31Å; E87-T89 PolarHBondContact O-N 3.45Å; T89-L93 HydrophobicContact CG2-CD1 4.47Å; T89-L93 WeakPolarHBondContact O-CB 3.46Å; T89-L93 WeakPolarHBondContact O-CD1 3.42Å; T89-L93 WeakPolarHBondContact O-CG 3.21Å; T89-L93 PolarHBondContact O-N 2.99Å; T89-L93 VanDerWaalsContact O-N 3.09Å; T89-R146 HydrophobicContact CG2-CB 4.35Å; T89-L150 HydrophobicContact CG2-CD2 4.06Å
90	L	95.1	Very high	95.5	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	24%	0.243	C	C	.	.	I	π-helix	trans	-70.6	-52	-174.2	-167	66.6	0	0	0	111.6	T86 L93 A94 L150 F154 E162 F165 L166 L169	T86-L90 HydrophobicContact CG2-CB 4.23Å; T86-L90 HydrophobicContact CG2-CD2 4.23Å; T86-L90 WeakPolarHBondContact O-CA 3.42Å; T86-L90 WeakPolarHBondContact O-CB 3.4Å; T86-L90 PolarHBondContact O-N 2.9Å; L90-L93 PolarHBondContact O-N 3.41Å; L90-A94 WeakPolarHBondContact O-CB 3.42Å; L90-A94 PolarHBondContact O-N 3.47Å; L90-L150 HydrophobicContact CB-CD2 3.83Å; L90-F154 HydrophobicContact CD2-CE2 4.1Å; L90-F154 HydrophobicContact CD2-CZ 4.17Å; L90-E162 HydrophobicContact CD2-CB 4.35Å; L90-F165 HydrophobicContact CD1-CD1 3.36Å; L90-F165 HydrophobicContact CD1-CE1 3.6Å; L90-F165 HydrophobicContact CD1-CG 4.39Å; L90-F165 HydrophobicContact CD2-CD1 4.41Å; L90-F165 HydrophobicContact CG-CD1 3.8Å; L90-F165 HydrophobicContact CG-CE1 4.07Å; L90-L166 HydrophobicContact CD1-CB 4.09Å; L90-L166 HydrophobicContact CD1-CD1 4.21Å; L90-L169 HydrophobicContact CD1-CD1 3.92Å
91	E	94.7	Very high	95.2	Very high	84 Å²	84	41.2 Å²	41.2	39%	0.393	22%	0.221	S	C	.	.	I	π-helix	trans	-66.5	-40.4	178.6	-65.2	-177.8	178.6	0	0	111.6	T86 L93 A94 N95	T86-E91 HydrophobicContact CG2-CG 4.37Å; T86-E91 PolarHBondContact O-N 3.28Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 2.61Å; E91-A94 PolarHBondContact O-N 3.41Å; E91-N95 VanDerWaalsContact O-CB 3.29Å; E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 3.19Å; E91-N95 PolarHBondContact O-ND2 3.07Å; E91-N95 VanDerWaalsContact O-ND2 3.12Å
92	A	96.9	Very high	95	Very high	23 Å²	23	39.7 Å²	39.7	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-56.5	-46	175	0	0	0	0	0	111.9	V72 V76 E87 A96	V72-A92 HydrophobicContact CG1-CB 4.32Å; V76-A92 HydrophobicContact CG2-CB 4.02Å; E87-A92 PolarHBondContact O-N 3.05Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.08Å
93	L	97.6	Very high	95	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-42.3	176.5	-69.9	173.3	0	0	0	112.2	Y73 V76 T89 L90 E91 N95 A96 K97 V143 I147 L169	Y73-L93 HydrophobicContact CD1-CD2 4.08Å; Y73-L93 HydrophobicContact CD2-CD2 4.29Å; Y73-L93 HydrophobicContact CE1-CD2 3.84Å; Y73-L93 HydrophobicContact CE2-CD2 4.08Å; Y73-L93 HydrophobicContact CG-CD2 4.3Å; V76-L93 HydrophobicContact CG1-CD1 4.38Å; V76-L93 HydrophobicContact CG1-CD2 4.46Å; V76-L93 HydrophobicContact CG1-CG 4.41Å; V76-L93 HydrophobicContact CG2-CD2 4.28Å; V76-L93 HydrophobicContact CG2-CG 4.32Å; T89-L93 HydrophobicContact CG2-CD1 4.47Å; T89-L93 WeakPolarHBondContact O-CB 3.46Å; T89-L93 WeakPolarHBondContact O-CD1 3.42Å; T89-L93 WeakPolarHBondContact O-CG 3.21Å; T89-L93 PolarHBondContact O-N 2.99Å; T89-L93 VanDerWaalsContact O-N 3.09Å; L90-L93 PolarHBondContact O-N 3.41Å; E91-L93 VanDerWaalsContact C-N 3.32Å; E91-L93 PolarHBondContact O-N 2.61Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 2.87Å; L93-A96 PolarHBondContact O-N 3.35Å; L93-K97 WeakPolarHBondContact O-CB 3.4Å; L93-K97 WeakPolarHBondContact O-CG 3.46Å; L93-K97 PolarHBondContact O-N 3.47Å; L93-V143 HydrophobicContact CD1-CG1 4.15Å; L93-V143 HydrophobicContact CD2-CG1 4.19Å; L93-I147 HydrophobicContact CD1-CD1 3.88Å; L93-I147 HydrophobicContact CD1-CG1 3.94Å; L93-L169 HydrophobicContact CD1-CD1 4.39Å
94	A	96.5	Very high	95	Very high	9 Å²	9	32.6 Å²	32.6	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-46.7	175.8	0	0	0	0	0	111.7	L90 E91 K97 L98 F165 F515	L90-A94 WeakPolarHBondContact O-CB 3.42Å; L90-A94 PolarHBondContact O-N 3.47Å; E91-A94 PolarHBondContact O-N 3.41Å; A94-K97 PolarHBondContact O-N 3.24Å; A94-L98 WeakPolarHBondContact O-CB 3.37Å; A94-L98 PolarHBondContact O-N 3.13Å; A94-F165 HydrophobicContact CB-CE1 3.84Å; A94-F165 HydrophobicContact CB-CZ 4.22Å; A94-F515 HydrophobicContact CB-CD1 3.61Å; A94-F515 HydrophobicContact CB-CE1 3.71Å
95	N	95.9	Very high	94.7	Very high	59 Å²	59	34.9 Å²	34.9	32%	0.316	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-41	179.4	-69.4	-29.5	0	0	0	112	E91 L93 K97 L98 D99 P464	E91-N95 VanDerWaalsContact O-CB 3.29Å; E91-N95 WeakPolarHBondContact O-CB 3.37Å; E91-N95 PolarHBondContact O-N 3.19Å; E91-N95 PolarHBondContact O-ND2 3.07Å; E91-N95 VanDerWaalsContact O-ND2 3.12Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 2.87Å; N95-K97 VanDerWaalsContact C-N 3.33Å; N95-L98 PolarHBondContact O-N 3.27Å; N95-D99 WeakPolarHBondContact O-CB 3.49Å; N95-D99 PolarHBondContact O-N 3.27Å; N95-P464 HydrophobicContact CB-CG 4.37Å; N95-P464 WeakPolarHBondContact OD1-CG 3.47Å
96	A	96.8	Very high	94.6	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-39.4	175.3	0	0	0	0	0	112	V72 Y73 A92 L93 Y100	V72-A96 HydrophobicContact CB-CB 3.97Å; V72-A96 HydrophobicContact CG1-CB 3.86Å; V72-A96 HydrophobicContact CG2-CB 4.26Å; Y73-A96 HydrophobicContact CE2-CB 4.34Å; A92-A96 WeakPolarHBondContact O-CB 3.45Å; A92-A96 PolarHBondContact O-N 3.08Å; L93-A96 PolarHBondContact O-N 3.35Å; A96-Y100 VanDerWaalsContact O-CB 3.3Å; A96-Y100 WeakPolarHBondContact O-CB 3.3Å; A96-Y100 PolarHBondContact O-N 3.02Å
97	K	96	Very high	94.8	Very high	49 Å²	49	32.5 Å²	32.5	21%	0.213	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-39.7	177.7	-72	168.2	153	-62.3	0	112.5	Y73 L93 A94 N95 Y100 A101 F165 E517	Y73-K97 WeakPolarHBondContact OH-CE 3.3Å; L93-K97 WeakPolarHBondContact O-CB 3.4Å; L93-K97 WeakPolarHBondContact O-CG 3.46Å; L93-K97 PolarHBondContact O-N 3.47Å; A94-K97 PolarHBondContact O-N 3.24Å; N95-K97 VanDerWaalsContact C-N 3.33Å; K97-Y100 WeakPolarHBondContact O-CB 3.5Å; K97-Y100 PolarHBondContact O-N 2.82Å; K97-A101 WeakPolarHBondContact O-CB 3.4Å; K97-A101 PolarHBondContact O-N 3.37Å; K97-F165 HydrophobicContact CD-CE2 4.39Å; K97-F165 HydrophobicContact CD-CZ 4.07Å; K97-E517 WeakPolarHBondContact CB-OE1 3.43Å; K97-E517 HydrophobicContact CD-CG 4.45Å; K97-E517 VanDerWaalsContact CD-OE1 3.3Å; K97-E517 WeakPolarHBondContact CD-OE1 3.43Å
98	L	95.3	Very high	94.7	Very high	11 Å²	11	27.5 Å²	27.5	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-61.1	-47.3	172.3	173.8	56.3	0	0	0	111.7	A94 N95 Y100 A101 S102 P459 C461 R469 S516	A94-L98 WeakPolarHBondContact O-CB 3.37Å; A94-L98 PolarHBondContact O-N 3.13Å; N95-L98 PolarHBondContact O-N 3.27Å; L98-Y100 VanDerWaalsContact C-N 3.3Å; L98-Y100 PolarHBondContact O-N 2.95Å; L98-A101 PolarHBondContact O-N 3.13Å; L98-S102 VanDerWaalsContact O-CB 3.27Å; L98-S102 WeakPolarHBondContact O-CB 3.46Å; L98-S102 PolarHBondContact O-N 3.46Å; L98-S102 PolarHBondContact O-OG 3.36Å; L98-P459 HydrophobicContact CD1-CB 4.5Å; L98-P459 HydrophobicContact CD1-CG 3.53Å; L98-C461 WeakPolarHBondContact CD1-SG 3.15Å; L98-R469 HydrophobicContact CD2-CG 4.46Å; L98-S516 PolarHBondContact N-OG 3.43Å
99	D	94.1	Very high	94.7	Very high	50 Å²	50	25.1 Å²	25.1	27%	0.267	14%	0.137	S	C	.	.	H	α-helix	trans	-60.5	-42.3	176.5	178.2	35.2	0	0	0	111.5	R68 N95 S103	R68-D99 IonicContact CZ-OD1 3.88Å; R68-D99 IonicContact CZ-OD2 3.13Å; R68-D99 IonicContact NE-OD1 2.63Å; R68-D99 IonicContact NE-OD2 3.66Å; R68-D99 PolarHBondContact NE-OD2 2.67Å; R68-D99 IonicContact NH2-OD1 2.67Å; R68-D99 PolarHBondContact NH2-OD1 2.7Å; R68-D99 IonicContact NH2-OD2 3.68Å; R68-D99 PolarHBondContact NH2-OD2 2.88Å; R68-D99 VanDerWaalsContact NH2-OD2 3.16Å; N95-D99 WeakPolarHBondContact O-CB 3.49Å; N95-D99 PolarHBondContact O-N 3.27Å; D99-S103 VanDerWaalsContact O-CB 3.3Å; D99-S103 WeakPolarHBondContact O-CB 3.5Å; D99-S103 PolarHBondContact O-N 2.89Å; D99-S103 PolarHBondContact O-OG 3.36Å; D99-S103 PolarHBondContact OD1-OG 3.08Å
100	Y	95.9	Very high	94.7	Very high	23 Å²	23	25.6 Å²	25.6	9%	0.09	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-54.6	175.3	-172.2	-116.3	0	0	0	112.3	L65 V69 A96 K97 L98 S102 S103 R104 L130 F133 D134	L65-Y100 HydrophobicContact CD1-CD2 4.2Å; L65-Y100 HydrophobicContact CD2-CD2 3.89Å; L65-Y100 HydrophobicContact CD2-CE2 4.08Å; L65-Y100 HydrophobicContact CG-CD2 3.91Å; L65-Y100 HydrophobicContact CG-CE2 4.27Å; V69-Y100 HydrophobicContact CG2-CD2 3.93Å; V69-Y100 HydrophobicContact CG2-CG 4.35Å; A96-Y100 VanDerWaalsContact O-CB 3.3Å; A96-Y100 WeakPolarHBondContact O-CB 3.3Å; A96-Y100 PolarHBondContact O-N 3.02Å; K97-Y100 WeakPolarHBondContact O-CB 3.5Å; K97-Y100 PolarHBondContact O-N 2.82Å; L98-Y100 VanDerWaalsContact C-N 3.3Å; L98-Y100 PolarHBondContact O-N 2.95Å; Y100-S102 VanDerWaalsContact C-N 3.33Å; Y100-S102 PolarHBondContact O-N 3.19Å; Y100-S103 PolarHBondContact O-N 3.03Å; Y100-R104 WeakPolarHBondContact O-CB 3.47Å; Y100-R104 PolarHBondContact O-N 3.4Å; Y100-R104 PolarHBondContact OH-NH1 2.83Å; Y100-R104 VanDerWaalsContact OH-NH1 3.11Å; Y100-L130 HydrophobicContact CE2-CD2 3.67Å; Y100-L130 PolarHBondContact OH-O 3.34Å; Y100-L130 VanDerWaalsContact OH-O 3.1Å; Y100-F133 AromaticContact CE2-CD1 3.91Å; Y100-F133 HydrophobicContact CE2-CD1 3.91Å; Y100-F133 HydrophobicContact CE2-CE1 4.08Å; Y100-D134 WeakPolarHBondContact CE1-OD1 3.42Å; Y100-D134 PolarHBondContact OH-OD1 2.95Å
101	A	92.8	Very high	94.6	Very high	25 Å²	25	27 Å²	27	21%	0.207	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-42.1	179.2	0	0	0	0	0	112	K97 L98 S103 H105 P459	K97-A101 WeakPolarHBondContact O-CB 3.4Å; K97-A101 PolarHBondContact O-N 3.37Å; L98-A101 PolarHBondContact O-N 3.13Å; A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.42Å; A101-H105 PolarHBondContact O-CD2 2.95Å; A101-P459 HydrophobicContact CB-CG 4.23Å
102	S	91.4	Very high	94.4	Very high	37 Å²	37	26.3 Å²	26.3	26%	0.259	14%	0.141	S	C	.	.	H	α-helix	trans	-67.6	-27	-179.9	-55.1	0	0	0	0	113.4	L98 Y100 L458	L98-S102 VanDerWaalsContact O-CB 3.27Å; L98-S102 WeakPolarHBondContact O-CB 3.46Å; L98-S102 PolarHBondContact O-N 3.46Å; L98-S102 PolarHBondContact O-OG 3.36Å; Y100-S102 VanDerWaalsContact C-N 3.33Å; Y100-S102 PolarHBondContact O-N 3.19Å; S102-L458 WeakPolarHBondContact O-CD2 3.13Å
103	S	93.2	Very high	94.3	Very high	24 Å²	24	25.2 Å²	25.2	17%	0.168	13%	0.133	C	C	.	.	H	α-helix	trans	-98.7	-23.6	-178.1	-57.4	0	0	0	0	113.2	R68 D99 Y100 A101 V106	R68-S103 PolarHBondContact NH2-OG 2.92Å; D99-S103 VanDerWaalsContact O-CB 3.3Å; D99-S103 WeakPolarHBondContact O-CB 3.5Å; D99-S103 PolarHBondContact O-N 2.89Å; D99-S103 PolarHBondContact O-OG 3.36Å; D99-S103 PolarHBondContact OD1-OG 3.08Å; Y100-S103 PolarHBondContact O-N 3.03Å; A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.42Å; S103-V106 WeakPolarHBondContact O-CG2 3.27Å
104	R	93.8	Very high	94.2	Very high	31 Å²	31	25.9 Å²	25.9	12%	0.117	14%	0.137	C	C	.	.	H	α-helix	trans	-69.3	-43	-174.3	167.8	162	-171	163.3	3.8	112.2	Y100 V106 L107 D108 D127 L130 S131 D134	Y100-R104 WeakPolarHBondContact O-CB 3.47Å; Y100-R104 PolarHBondContact O-N 3.4Å; Y100-R104 PolarHBondContact OH-NH1 2.83Å; Y100-R104 VanDerWaalsContact OH-NH1 3.11Å; R104-V106 VanDerWaalsContact C-N 3.3Å; R104-V106 PolarHBondContact O-N 2.87Å; R104-L107 WeakPolarHBondContact O-CA 3.29Å; R104-L107 VanDerWaalsContact O-CB 3.29Å; R104-L107 WeakPolarHBondContact O-CB 3.34Å; R104-L107 PolarHBondContact O-N 3.37Å; R104-D108 WeakPolarHBondContact CD-OD2 3.44Å; R104-D108 WeakPolarHBondContact CG-OD2 3.3Å; R104-D108 IonicContact CZ-OD2 2.73Å; R104-D108 IonicContact NE-OD2 3.3Å; R104-D108 PolarHBondContact NE-OD2 3.24Å; R104-D108 PolarHBondContact O-N 2.8Å; R104-D127 IonicContact CZ-OD1 2.82Å; R104-D127 IonicContact NH2-OD1 3.61Å; R104-D127 PolarHBondContact NH2-OD1 3.26Å; R104-L130 HydrophobicContact CG-CD1 4.13Å; R104-S131 PolarHBondContact NH2-OG 3.19Å; R104-D134 IonicContact CZ-OD2 3.05Å; R104-D134 VanDerWaalsContact NH1-CG 3.28Å; R104-D134 IonicContact NH1-OD1 3.16Å; R104-D134 PolarHBondContact NH1-OD1 2.68Å; R104-D134 IonicContact NH1-OD2 3Å; R104-D134 PolarHBondContact NH1-OD2 3.48Å; R104-D134 IonicContact NH2-OD2 3.09Å
105	H	89.8	Confident	94.1	Very high	56 Å²	56	28.8 Å²	28.8	26%	0.259	16%	0.155	S	C	.	.	H	α-helix	trans	-68.1	-24.7	-172.6	-68.1	-52.1	0	0	0	114.7	A101 L107 D108 F109 G456 L457	A101-H105 PolarHBondContact O-CD2 2.95Å; H105-L107 PolarHBondContact O-N 2.7Å; H105-D108 WeakPolarHBondContact CA-OD1 3.42Å; H105-D108 IonicContact ND1-OD1 2.87Å; H105-D108 PolarHBondContact ND1-OD1 3.27Å; H105-D108 IonicContact ND1-OD2 3.72Å; H105-F109 WeakPolarHBondContact O-CB 3.06Å; H105-F109 PolarHBondContact O-N 3.42Å; H105-F109 VanDerWaalsContact O-N 3.09Å; H105-G456 PolarHBondContact CD2-O 3.49Å; H105-G456 PolarHBondContact NE2-O 2.93Å; H105-L457 HydrophobicContact CB-CD2 4.33Å; H105-L457 WeakPolarHBondContact CB-O 2.98Å; H105-L457 PolarHBondContact CD2-O 2.69Å
106	V	92.6	Very high	94.1	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.127	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-15.7	170.2	-62.4	0	0	0	0	112.8	L49 L53 S103 R104 P110	L49-V106 HydrophobicContact CB-CG1 4.35Å; L49-V106 HydrophobicContact CD2-CG1 3.38Å; L49-V106 HydrophobicContact CG-CG1 4.48Å; L53-V106 HydrophobicContact CD1-CB 4.28Å; L53-V106 HydrophobicContact CD1-CG2 4.37Å; S103-V106 WeakPolarHBondContact O-CG2 3.27Å; R104-V106 VanDerWaalsContact C-N 3.3Å; R104-V106 PolarHBondContact O-N 2.87Å; V106-P110 WeakPolarHBondContact O-CG 3.27Å
107	L	96	Very high	93.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-99.7	-41.1	-178.1	-52.8	172.1	0	0	0	112.1	L53 I58 V61 L65 R104 H105 S123 A126 L130	L53-L107 HydrophobicContact CD1-CD2 4.41Å; I58-L107 HydrophobicContact CG2-CD2 4.29Å; V61-L107 HydrophobicContact CB-CD2 3.84Å; V61-L107 HydrophobicContact CG1-CD1 4.23Å; V61-L107 HydrophobicContact CG1-CD2 3.75Å; V61-L107 HydrophobicContact CG1-CG 4.44Å; L65-L107 HydrophobicContact CD2-CD1 3.92Å; R104-L107 WeakPolarHBondContact O-CA 3.29Å; R104-L107 VanDerWaalsContact O-CB 3.29Å; R104-L107 WeakPolarHBondContact O-CB 3.34Å; R104-L107 PolarHBondContact O-N 3.37Å; H105-L107 PolarHBondContact O-N 2.7Å; L107-S123 VanDerWaalsContact O-CA 3.31Å; L107-S123 WeakPolarHBondContact O-CA 3.39Å; L107-S123 VanDerWaalsContact O-CB 3.22Å; L107-S123 WeakPolarHBondContact O-CB 3.31Å; L107-S123 PolarHBondContact O-OG 3.27Å; L107-A126 HydrophobicContact CB-CB 4.31Å; L107-L130 HydrophobicContact CB-CD1 4.2Å; L107-L130 HydrophobicContact CD1-CD1 4.04Å
108	D	91.6	Very high	94	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-96.9	-22.3	-175.8	67.1	18.4	0	0	0	114.4	R104 H105 Q111 S123 D127	R104-D108 WeakPolarHBondContact CD-OD2 3.44Å; R104-D108 WeakPolarHBondContact CG-OD2 3.3Å; R104-D108 IonicContact CZ-OD2 2.73Å; R104-D108 IonicContact NE-OD2 3.3Å; R104-D108 PolarHBondContact NE-OD2 3.24Å; R104-D108 PolarHBondContact O-N 2.8Å; H105-D108 WeakPolarHBondContact CA-OD1 3.42Å; H105-D108 IonicContact ND1-OD1 2.87Å; H105-D108 PolarHBondContact ND1-OD1 3.27Å; H105-D108 IonicContact ND1-OD2 3.72Å; D108-Q111 WeakPolarHBondContact O-CG 3.33Å; D108-Q111 PolarHBondContact O-NE2 3.5Å; D108-S123 PolarHBondContact O-OG 2.71Å; D108-D127 HydrophobicContact CB-CB 3.77Å
109	F	96.3	Very high	94.1	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-36.4	178.5	-173.2	-119.6	0	0	0	114.5	W51 H105 Q111 Y112 V113 W417 F455 L457 A474 V476	W51-F109 HydrophobicContact CE3-CD1 4.49Å; W51-F109 AromaticContact CH2-CD1 3.8Å; W51-F109 HydrophobicContact CH2-CD1 3.8Å; W51-F109 HydrophobicContact CH2-CE1 4.39Å; W51-F109 HydrophobicContact CZ3-CB 4.42Å; W51-F109 AromaticContact CZ3-CD1 3.66Å; W51-F109 HydrophobicContact CZ3-CD1 3.66Å; W51-F109 HydrophobicContact CZ3-CE1 4.5Å; H105-F109 WeakPolarHBondContact O-CB 3.06Å; H105-F109 PolarHBondContact O-N 3.42Å; H105-F109 VanDerWaalsContact O-N 3.09Å; F109-Q111 PolarHBondContact O-N 3.36Å; F109-Y112 HydrophobicContact CD2-CD2 4.08Å; F109-Y112 WeakPolarHBondContact O-CB 3.48Å; F109-Y112 WeakPolarHBondContact O-CD2 3.49Å; F109-Y112 PolarHBondContact O-N 2.73Å; F109-V113 HydrophobicContact CD1-CG2 3.88Å; F109-V113 HydrophobicContact CE1-CB 4.41Å; F109-V113 HydrophobicContact CE1-CG1 4Å; F109-V113 HydrophobicContact CE1-CG2 3.56Å; F109-V113 HydrophobicContact CE2-CG1 3.99Å; F109-V113 HydrophobicContact CZ-CB 4.41Å; F109-V113 HydrophobicContact CZ-CG1 3.53Å; F109-V113 HydrophobicContact CZ-CG2 4Å; F109-W417 HydrophobicContact CE1-CD2 4.32Å; F109-W417 HydrophobicContact CE1-CE3 4.14Å; F109-W417 AromaticContact CE1-CH2 3.56Å; F109-W417 HydrophobicContact CE1-CH2 3.56Å; F109-W417 AromaticContact CE1-CZ2 3.76Å; F109-W417 HydrophobicContact CE1-CZ2 3.76Å; F109-W417 AromaticContact CE1-CZ3 3.77Å; F109-W417 HydrophobicContact CE1-CZ3 3.77Å; F109-W417 HydrophobicContact CZ-CH2 4.11Å; F109-W417 HydrophobicContact CZ-CZ2 4.06Å; F109-F455 HydrophobicContact CD2-CB 4.14Å; F109-F455 AromaticContact CD2-CD1 3.81Å; F109-F455 HydrophobicContact CD2-CD1 3.81Å; F109-F455 HydrophobicContact CD2-CE1 4.31Å; F109-F455 AromaticContact CD2-CG 3.92Å; F109-F455 HydrophobicContact CD2-CG 3.92Å; F109-F455 HydrophobicContact CE2-CB 3.77Å; F109-F455 AromaticContact CE2-CD1 3.75Å; F109-F455 HydrophobicContact CE2-CD1 3.75Å; F109-F455 AromaticContact CE2-CD2 3.65Å; F109-F455 HydrophobicContact CE2-CD2 3.65Å; F109-F455 HydrophobicContact CE2-CE1 4.21Å; F109-F455 HydrophobicContact CE2-CE2 4.12Å; F109-F455 AromaticContact CE2-CG 3.44Å; F109-F455 HydrophobicContact CE2-CG 3.44Å; F109-F455 VanDerWaalsContact CE2-CG 3.44Å; F109-F455 HydrophobicContact CE2-CZ 4.38Å; F109-F455 HydrophobicContact CZ-CD2 4.45Å; F109-F455 HydrophobicContact CZ-CG 4.47Å; F109-L457 HydrophobicContact CB-CD2 4.16Å; F109-L457 HydrophobicContact CD1-CD2 3.83Å; F109-L457 HydrophobicContact CD2-CD2 3.97Å; F109-L457 HydrophobicContact CE1-CD2 4.16Å; F109-L457 HydrophobicContact CE2-CD2 4.33Å; F109-L457 HydrophobicContact CG-CD2 3.72Å; F109-L457 HydrophobicContact CZ-CD2 4.4Å; F109-A474 HydrophobicContact CE1-CB 4.24Å; F109-A474 HydrophobicContact CE2-CB 4.48Å; F109-A474 HydrophobicContact CZ-CB 3.74Å; F109-V476 HydrophobicContact CE2-CG2 4.34Å; F109-V476 HydrophobicContact CZ-CG2 4.1Å
110	P	97.4	Very high	94.1	Very high	12 Å²	12	40.2 Å²	40.2	8%	0.078	20%	0.204	C	C	.	.	H	α-helix	trans	-55.4	-29.6	-177.3	-28.2	35	0	0	0	114.7	V106 Y112 V113 C114 V119	V106-P110 WeakPolarHBondContact O-CG 3.27Å; P110-Y112 PolarHBondContact O-N 2.87Å; P110-Y112 VanDerWaalsContact O-N 3.13Å; P110-V113 PolarHBondContact O-N 2.8Å; P110-C114 HydrophobicContact CB-CB 4.14Å; P110-C114 WeakPolarHBondContact O-CB 3.17Å; P110-C114 PolarHBondContact O-N 3.34Å; P110-V119 HydrophobicContact CB-CG1 4Å
111	Q	92.7	Very high	93.9	Very high	31 Å²	31	42.2 Å²	42.2	15%	0.145	22%	0.222	C	C	.	.	H	α-helix	trans	-56.9	-26.8	176.2	78.6	-170.8	-59.3	0	0	113.4	D108 F109 R120 S123 T124 D127	D108-Q111 WeakPolarHBondContact O-CG 3.33Å; D108-Q111 PolarHBondContact O-NE2 3.5Å; F109-Q111 PolarHBondContact O-N 3.36Å; Q111-R120 WeakPolarHBondContact O-CD 3.27Å; Q111-S123 PolarHBondContact N-OG 3.39Å; Q111-T124 WeakPolarHBondContact CB-OG1 3.24Å; Q111-T124 PolarHBondContact OE1-OG1 3.43Å; Q111-D127 PolarHBondContact NE2-OD2 2.66Å
112	Y	90.4	Very high	94.1	Very high	70 Å²	70	41.1 Å²	41.1	28%	0.275	21%	0.213	S	C	.	.	H	α-helix	trans	-89.7	-21.5	-177.9	-60.2	-66.6	0	0	0	113.8	F109 P110 K448 Y449 F455	F109-Y112 HydrophobicContact CD2-CD2 4.08Å; F109-Y112 WeakPolarHBondContact O-CB 3.48Å; F109-Y112 WeakPolarHBondContact O-CD2 3.49Å; F109-Y112 PolarHBondContact O-N 2.73Å; P110-Y112 PolarHBondContact O-N 2.87Å; P110-Y112 VanDerWaalsContact O-N 3.13Å; Y112-K448 CarbonylContact O-C 3.49Å; Y112-K448 VanDerWaalsContact O-CA 3.28Å; Y112-K448 WeakPolarHBondContact O-CA 3.22Å; Y112-Y449 AromaticContact CD1-CD2 3.86Å; Y112-Y449 HydrophobicContact CD1-CD2 3.86Å; Y112-Y449 HydrophobicContact CD1-CG 4.3Å; Y112-Y449 HydrophobicContact CE1-CD2 4.36Å; Y112-Y449 PolarHBondContact O-N 3.14Å; Y112-F455 HydrophobicContact CD1-CE1 4.48Å; Y112-F455 HydrophobicContact CD1-CZ 4.43Å; Y112-F455 HydrophobicContact CD2-CD1 4.48Å; Y112-F455 AromaticContact CD2-CE1 3.76Å; Y112-F455 HydrophobicContact CD2-CE1 3.76Å; Y112-F455 HydrophobicContact CD2-CZ 4.3Å; Y112-F455 AromaticContact CE2-CE1 3.96Å; Y112-F455 HydrophobicContact CE2-CE1 3.96Å; Y112-F455 HydrophobicContact CG-CE1 4.04Å; Y112-F455 HydrophobicContact CG-CZ 4.13Å
113	V	94.9	Very high	94.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-136.7	-24	-164.9	-62.5	0	0	0	0	115.3	F109 P110 W417 R445 V476	F109-V113 HydrophobicContact CD1-CG2 3.88Å; F109-V113 HydrophobicContact CE1-CB 4.41Å; F109-V113 HydrophobicContact CE1-CG1 4Å; F109-V113 HydrophobicContact CE1-CG2 3.56Å; F109-V113 HydrophobicContact CE2-CG1 3.99Å; F109-V113 HydrophobicContact CZ-CB 4.41Å; F109-V113 HydrophobicContact CZ-CG1 3.53Å; F109-V113 HydrophobicContact CZ-CG2 4Å; P110-V113 PolarHBondContact O-N 2.8Å; V113-W417 HydrophobicContact CB-CG 4.27Å; V113-W417 HydrophobicContact CG2-CB 4.42Å; V113-W417 HydrophobicContact CG2-CD2 3.9Å; V113-W417 HydrophobicContact CG2-CG 3.75Å; V113-R445 PolarHBondContact O-NE 3.15Å; V113-R445 PolarHBondContact O-NH2 3.41Å; V113-V476 HydrophobicContact CG1-CG2 4.04Å
114	C	95.1	Very high	94	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.101	21%	0.211	C	C	.	.			trans	-69.2	129.8	-173.3	-174.5	0	0	0	0	110.3	P110 N116 V119 R120	P110-C114 HydrophobicContact CB-CB 4.14Å; P110-C114 WeakPolarHBondContact O-CB 3.17Å; P110-C114 PolarHBondContact O-N 3.34Å; C114-N116 PolarHBondContact O-N 3.44Å; C114-V119 HydrophobicContact CB-CG1 4.12Å; C114-R120 HydrophobicContact CB-CG 4.1Å; C114-R120 VanDerWaalsContact O-CD 3.24Å; C114-R120 WeakPolarHBondContact O-CD 3.48Å; C114-R120 WeakPolarHBondContact O-CG 3.49Å; C114-R120 PolarHBondContact O-NH1 3.48Å
115	P	93.3	Very high	93.9	Very high	70 Å²	70	44.7 Å²	44.7	46%	0.455	23%	0.229	S	C	.	.	S	Bend	trans	-67	-24.3	177.6	26.6	-34.4	0	0	0	113	K117 R120 W417	P115-K117 PolarHBondContact O-N 3.09Å; P115-R120 PolarHBondContact O-NH1 2.83Å; P115-W417 WeakPolarHBondContact CD-O 3.41Å
116	N	96	Very high	94.2	Very high	78 Å²	78	42.2 Å²	42.2	42%	0.417	22%	0.218	S	C	.	.			trans	-80.3	119.9	179.9	-174.6	-37.1	0	0	0	111.8	C114 E118 V119 R120	C114-N116 PolarHBondContact O-N 3.44Å; N116-E118 PolarHBondContact O-N 2.96Å; N116-E118 WeakPolarHBondContact OD1-CB 3.45Å; N116-E118 PolarHBondContact OD1-N 3.29Å; N116-V119 HydrophobicContact CB-CB 4.17Å; N116-V119 HydrophobicContact CB-CG2 3.96Å; N116-V119 PolarHBondContact O-N 3.27Å; N116-V119 PolarHBondContact OD1-N 3.26Å; N116-R120 WeakPolarHBondContact O-CG 2.99Å; N116-R120 PolarHBondContact O-N 3.31Å; N116-R120 VanDerWaalsContact O-N 3.07Å
117	K	93.6	Very high	94.1	Very high	149 Å²	149	42.7 Å²	42.7	65%	0.648	22%	0.22	S	C	*	.	H	α-helix	trans	-61.4	-39.5	-179.8	-174.6	178.5	177.8	179.5	0	113.6	P115 R120 S121	P115-K117 PolarHBondContact O-N 3.09Å; K117-R120 PolarHBondContact O-N 3.34Å; K117-S121 PolarHBondContact O-N 2.74Å; K117-S121 PolarHBondContact O-OG 3.35Å
118	E	97	Very high	93.6	Very high	139 Å²	139	48 Å²	48	65%	0.65	24%	0.242	S	C	*	.	H	α-helix	trans	-67.4	-38.9	-179.1	-62.4	-178.8	173.5	0	0	111.6	P55 N116 S121 A122	P55-E118 HydrophobicContact CG-CB 4.07Å; N116-E118 PolarHBondContact O-N 2.96Å; N116-E118 WeakPolarHBondContact OD1-CB 3.45Å; N116-E118 PolarHBondContact OD1-N 3.29Å; E118-S121 PolarHBondContact O-N 2.91Å; E118-A122 PolarHBondContact O-N 2.9Å
119	V	97.5	Very high	93.7	Very high	16 Å²	16	51.2 Å²	51.2	10%	0.097	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-45.3	173.4	175.4	0	0	0	0	110.3	P55 I58 P110 C114 N116 S121 A122 S123	P55-V119 HydrophobicContact CG-CG2 4.06Å; I58-V119 HydrophobicContact CD1-CG1 3.82Å; P110-V119 HydrophobicContact CB-CG1 4Å; C114-V119 HydrophobicContact CB-CG1 4.12Å; N116-V119 HydrophobicContact CB-CB 4.17Å; N116-V119 HydrophobicContact CB-CG2 3.96Å; N116-V119 PolarHBondContact O-N 3.27Å; N116-V119 PolarHBondContact OD1-N 3.26Å; V119-S121 PolarHBondContact O-N 3.13Å; V119-A122 PolarHBondContact O-N 3.19Å; V119-S123 WeakPolarHBondContact O-CB 3.19Å; V119-S123 PolarHBondContact O-N 3.09Å
120	R	95.2	Very high	93.6	Very high	32 Å²	32	51.1 Å²	51.1	12%	0.121	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-47.1	175	-68	-164.5	-58.3	-84	5	111.8	Q111 C114 P115 N116 K117 A122 S123 T124 G447	Q111-R120 WeakPolarHBondContact O-CD 3.27Å; C114-R120 HydrophobicContact CB-CG 4.1Å; C114-R120 VanDerWaalsContact O-CD 3.24Å; C114-R120 WeakPolarHBondContact O-CD 3.48Å; C114-R120 WeakPolarHBondContact O-CG 3.49Å; C114-R120 PolarHBondContact O-NH1 3.48Å; P115-R120 PolarHBondContact O-NH1 2.83Å; N116-R120 WeakPolarHBondContact O-CG 2.99Å; N116-R120 PolarHBondContact O-N 3.31Å; N116-R120 VanDerWaalsContact O-N 3.07Å; K117-R120 PolarHBondContact O-N 3.34Å; R120-A122 PolarHBondContact O-N 3.45Å; R120-S123 WeakPolarHBondContact O-CB 3.33Å; R120-S123 PolarHBondContact O-N 3.05Å; R120-T124 PolarHBondContact O-N 2.9Å; R120-T124 PolarHBondContact O-OG1 3.1Å; R120-G447 VanDerWaalsContact CD-O 3.31Å; R120-G447 WeakPolarHBondContact CD-O 3.48Å
121	S	91.3	Very high	93.1	Very high	65 Å²	65	52.8 Å²	52.8	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-41.4	177.9	-66.1	0	0	0	0	112.6	K117 E118 V119 S123 T124 E125	K117-S121 PolarHBondContact O-N 2.74Å; K117-S121 PolarHBondContact O-OG 3.35Å; E118-S121 PolarHBondContact O-N 2.91Å; V119-S121 PolarHBondContact O-N 3.13Å; S121-S123 VanDerWaalsContact C-N 3.34Å; S121-T124 PolarHBondContact O-N 2.9Å; S121-E125 WeakPolarHBondContact O-CG 3.49Å; S121-E125 PolarHBondContact O-N 3.46Å; S121-E125 VanDerWaalsContact O-N 3.08Å
122	A	96.8	Very high	92.8	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.017	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-38	174.9	0	0	0	0	0	112.5	P55 I58 E118 V119 R120 E125 A126	P55-A122 HydrophobicContact CB-CB 3.82Å; I58-A122 HydrophobicContact CB-CB 4.43Å; I58-A122 HydrophobicContact CD1-CB 4.43Å; I58-A122 HydrophobicContact CG2-CB 4.36Å; E118-A122 PolarHBondContact O-N 2.9Å; V119-A122 PolarHBondContact O-N 3.19Å; R120-A122 PolarHBondContact O-N 3.45Å; A122-E125 PolarHBondContact O-N 2.96Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.06Å
123	S	95.4	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-43.5	175.6	179.4	0	0	0	0	112.3	L107 D108 Q111 V119 R120 S121 E125 A126 D127	L107-S123 VanDerWaalsContact O-CA 3.31Å; L107-S123 WeakPolarHBondContact O-CA 3.39Å; L107-S123 VanDerWaalsContact O-CB 3.22Å; L107-S123 WeakPolarHBondContact O-CB 3.31Å; L107-S123 PolarHBondContact O-OG 3.27Å; D108-S123 PolarHBondContact O-OG 2.71Å; Q111-S123 PolarHBondContact N-OG 3.39Å; V119-S123 WeakPolarHBondContact O-CB 3.19Å; V119-S123 PolarHBondContact O-N 3.09Å; R120-S123 WeakPolarHBondContact O-CB 3.33Å; R120-S123 PolarHBondContact O-N 3.05Å; S121-S123 VanDerWaalsContact C-N 3.34Å; S123-E125 PolarHBondContact O-N 3.27Å; S123-A126 WeakPolarHBondContact O-CB 3.48Å; S123-A126 PolarHBondContact O-N 3.34Å; S123-D127 PolarHBondContact O-N 3.2Å
124	T	88.5	Confident	92.9	Very high	63 Å²	63	56.3 Å²	56.3	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-42.3	173.6	-61.8	0	0	0	0	112.2	Q111 R120 S121 A126 D127 K128	Q111-T124 WeakPolarHBondContact CB-OG1 3.24Å; Q111-T124 PolarHBondContact OE1-OG1 3.43Å; R120-T124 PolarHBondContact O-N 2.9Å; R120-T124 PolarHBondContact O-OG1 3.1Å; S121-T124 PolarHBondContact O-N 2.9Å; T124-A126 VanDerWaalsContact C-N 3.34Å; T124-D127 PolarHBondContact O-N 3.4Å; T124-K128 PolarHBondContact O-N 2.98Å
125	E	91.7	Very high	92.6	Very high	105 Å²	105	59.3 Å²	59.3	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-67.2	-34.8	175.2	-70.6	-59.9	131.7	0	0	112.4	S121 A122 S123 K129	S121-E125 WeakPolarHBondContact O-CG 3.49Å; S121-E125 PolarHBondContact O-N 3.46Å; S121-E125 VanDerWaalsContact O-N 3.08Å; A122-E125 PolarHBondContact O-N 2.96Å; S123-E125 PolarHBondContact O-N 3.27Å; E125-K129 PolarHBondContact O-N 3.12Å
126	A	94.9	Very high	92.5	Very high	4 Å²	4	60 Å²	60	3%	0.033	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-47.8	173	0	0	0	0	0	111.5	I58 T62 L107 A122 S123 T124 K128 K129 L130	I58-A126 HydrophobicContact CG2-CB 3.73Å; T62-A126 HydrophobicContact CG2-CB 4.27Å; T62-A126 WeakPolarHBondContact OG1-CB 3.04Å; L107-A126 HydrophobicContact CB-CB 4.31Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.06Å; S123-A126 WeakPolarHBondContact O-CB 3.48Å; S123-A126 PolarHBondContact O-N 3.34Å; T124-A126 VanDerWaalsContact C-N 3.34Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 2.97Å; A126-K129 PolarHBondContact O-N 3.3Å; A126-L130 WeakPolarHBondContact O-CB 3.15Å; A126-L130 WeakPolarHBondContact O-CG 3.49Å; A126-L130 PolarHBondContact O-N 3.17Å
127	D	91.3	Very high	92.5	Very high	31 Å²	31	57 Å²	57	17%	0.166	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-39.3	177.6	-173.7	27.2	0	0	0	111.9	R104 D108 Q111 S123 T124 L130 S131	R104-D127 IonicContact CZ-OD1 2.82Å; R104-D127 IonicContact NH2-OD1 3.61Å; R104-D127 PolarHBondContact NH2-OD1 3.26Å; D108-D127 HydrophobicContact CB-CB 3.77Å; Q111-D127 PolarHBondContact NE2-OD2 2.66Å; S123-D127 PolarHBondContact O-N 3.2Å; T124-D127 PolarHBondContact O-N 3.4Å; D127-L130 PolarHBondContact O-N 3.46Å; D127-S131 WeakPolarHBondContact O-CB 3.3Å; D127-S131 PolarHBondContact O-N 2.85Å; D127-S131 PolarHBondContact O-OG 2.9Å; D127-S131 PolarHBondContact OD1-OG 3.06Å
128	K	85.3	Confident	92.4	Very high	110 Å²	110	52.2 Å²	52.2	48%	0.478	27%	0.272	S	S	.	.	H	α-helix	trans	-58.4	-50.7	172.1	-177	-178.2	175.9	-175.2	0	112	T124 A126 L130 S131 E132	T124-K128 PolarHBondContact O-N 2.98Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 2.97Å; K128-L130 PolarHBondContact O-N 3.46Å; K128-S131 PolarHBondContact O-N 2.83Å; K128-E132 WeakPolarHBondContact O-CG 3.4Å; K128-E132 PolarHBondContact O-N 2.85Å
129	K	93.2	Very high	92.1	Very high	81 Å²	81	47.5 Å²	47.5	35%	0.352	25%	0.25	S	S	.	.	H	α-helix	trans	-60.6	-42.7	177.2	-78.8	-177.9	167.4	-169.9	0	112.3	T62 D63 I66 E125 A126 E132 F133	T62-K129 HydrophobicContact CG2-CB 4.1Å; T62-K129 HydrophobicContact CG2-CD 4.14Å; D63-K129 IonicContact OD1-NZ 3.43Å; D63-K129 PolarHBondContact OD1-NZ 2.93Å; D63-K129 IonicContact OD2-NZ 3.94Å; I66-K129 HydrophobicContact CD1-CB 4.28Å; E125-K129 PolarHBondContact O-N 3.12Å; A126-K129 PolarHBondContact O-N 3.3Å; K129-E132 PolarHBondContact O-N 3.33Å; K129-F133 WeakPolarHBondContact O-CB 3.42Å; K129-F133 PolarHBondContact O-N 2.83Å
130	L	93.8	Very high	92	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-39.3	179.9	-69.6	166.4	0	0	0	111.3	T62 L65 I66 Y100 R104 L107 A126 D127 K128 F133 D134	T62-L130 HydrophobicContact CG2-CD1 4.48Å; T62-L130 HydrophobicContact CG2-CD2 4.16Å; T62-L130 HydrophobicContact CG2-CG 4.01Å; L65-L130 HydrophobicContact CD2-CD2 4.08Å; I66-L130 HydrophobicContact CD1-CD2 4.34Å; I66-L130 HydrophobicContact CG1-CD2 4Å; Y100-L130 HydrophobicContact CE2-CD2 3.67Å; Y100-L130 PolarHBondContact OH-O 3.34Å; Y100-L130 VanDerWaalsContact OH-O 3.1Å; R104-L130 HydrophobicContact CG-CD1 4.13Å; L107-L130 HydrophobicContact CB-CD1 4.2Å; L107-L130 HydrophobicContact CD1-CD1 4.04Å; A126-L130 WeakPolarHBondContact O-CB 3.15Å; A126-L130 WeakPolarHBondContact O-CG 3.49Å; A126-L130 PolarHBondContact O-N 3.17Å; D127-L130 PolarHBondContact O-N 3.46Å; K128-L130 PolarHBondContact O-N 3.46Å; L130-F133 CarbonylContact O-C 3.51Å; L130-F133 WeakPolarHBondContact O-CB 3.29Å; L130-F133 PolarHBondContact O-N 2.89Å; L130-D134 VanDerWaalsContact O-CG 3.29Å; L130-D134 PolarHBondContact O-N 2.9Å
131	S	87.6	Confident	92	Very high	47 Å²	47	48.5 Å²	48.5	33%	0.329	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-40.7	174.1	-63.8	0	0	0	0	112.3	R104 D127 K128 F133 D134 V135	R104-S131 PolarHBondContact NH2-OG 3.19Å; D127-S131 WeakPolarHBondContact O-CB 3.3Å; D127-S131 PolarHBondContact O-N 2.85Å; D127-S131 PolarHBondContact O-OG 2.9Å; D127-S131 PolarHBondContact OD1-OG 3.06Å; K128-S131 PolarHBondContact O-N 2.83Å; S131-F133 VanDerWaalsContact C-N 3.29Å; S131-F133 PolarHBondContact O-N 3.28Å; S131-D134 PolarHBondContact O-N 2.94Å; S131-V135 WeakPolarHBondContact O-CG2 3.06Å; S131-V135 PolarHBondContact O-N 3.28Å
132	E	87.1	Confident	92.3	Very high	121 Å²	121	47.6 Å²	47.6	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-60.4	-40.4	170.6	-73.6	175.4	-169.8	0	0	111.4	K128 K129 V135 E136	K128-E132 WeakPolarHBondContact O-CG 3.4Å; K128-E132 PolarHBondContact O-N 2.85Å; K129-E132 PolarHBondContact O-N 3.33Å; E132-V135 PolarHBondContact O-N 3.35Å; E132-E136 PolarHBondContact O-N 3.47Å
133	F	94.4	Very high	92.3	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-39.3	176.6	178.4	-117.6	0	0	0	113	I66 V69 K70 Y100 K129 L130 S131 V135 E136 I137	I66-F133 HydrophobicContact CB-CG 4.48Å; I66-F133 HydrophobicContact CD1-CB 4.28Å; I66-F133 HydrophobicContact CG1-CB 4.17Å; I66-F133 HydrophobicContact CG1-CD1 4.01Å; I66-F133 HydrophobicContact CG1-CG 3.99Å; I66-F133 HydrophobicContact CG2-CD2 3.73Å; I66-F133 HydrophobicContact CG2-CE2 3.92Å; I66-F133 HydrophobicContact CG2-CG 4.04Å; I66-F133 HydrophobicContact CG2-CZ 4.38Å; V69-F133 HydrophobicContact CB-CE1 3.92Å; V69-F133 HydrophobicContact CB-CZ 4Å; V69-F133 HydrophobicContact CG1-CE1 3.79Å; V69-F133 HydrophobicContact CG1-CZ 3.91Å; K70-F133 HydrophobicContact CB-CE2 3.81Å; K70-F133 HydrophobicContact CB-CZ 3.96Å; K70-F133 HydrophobicContact CD-CE2 4.34Å; K70-F133 HydrophobicContact CG-CE2 4.35Å; Y100-F133 AromaticContact CE2-CD1 3.91Å; Y100-F133 HydrophobicContact CE2-CD1 3.91Å; Y100-F133 HydrophobicContact CE2-CE1 4.08Å; K129-F133 WeakPolarHBondContact O-CB 3.42Å; K129-F133 PolarHBondContact O-N 2.83Å; L130-F133 CarbonylContact O-C 3.51Å; L130-F133 WeakPolarHBondContact O-CB 3.29Å; L130-F133 PolarHBondContact O-N 2.89Å; S131-F133 VanDerWaalsContact C-N 3.29Å; S131-F133 PolarHBondContact O-N 3.28Å; F133-V135 VanDerWaalsContact C-N 3.27Å; F133-V135 PolarHBondContact O-N 3.3Å; F133-E136 WeakPolarHBondContact O-CA 3.37Å; F133-E136 WeakPolarHBondContact O-CB 3.22Å; F133-E136 PolarHBondContact O-N 3.4Å; F133-E136 VanDerWaalsContact O-N 3.08Å; F133-I137 HydrophobicContact CD1-CD1 4.5Å; F133-I137 HydrophobicContact CD2-CG2 3.94Å; F133-I137 HydrophobicContact CE1-CD1 4.14Å; F133-I137 HydrophobicContact CE1-CG2 4.06Å; F133-I137 HydrophobicContact CE2-CG2 3.33Å; F133-I137 HydrophobicContact CZ-CD1 4.48Å; F133-I137 HydrophobicContact CZ-CG2 3.41Å; F133-I137 VanDerWaalsContact CZ-CG2 3.41Å; F133-I137 WeakPolarHBondContact O-CG1 3.09Å; F133-I137 PolarHBondContact O-N 3.45Å
134	D	92.8	Very high	92.5	Very high	51 Å²	51	48.4 Å²	48.4	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-57.7	-41.9	173.7	-66.9	-21.5	0	0	0	111.7	Y100 R104 L130 S131 I137 S138	Y100-D134 WeakPolarHBondContact CE1-OD1 3.42Å; Y100-D134 PolarHBondContact OH-OD1 2.95Å; R104-D134 IonicContact CZ-OD2 3.05Å; R104-D134 VanDerWaalsContact NH1-CG 3.28Å; R104-D134 IonicContact NH1-OD1 3.16Å; R104-D134 PolarHBondContact NH1-OD1 2.68Å; R104-D134 IonicContact NH1-OD2 3Å; R104-D134 PolarHBondContact NH1-OD2 3.48Å; R104-D134 IonicContact NH2-OD2 3.09Å; L130-D134 VanDerWaalsContact O-CG 3.29Å; L130-D134 PolarHBondContact O-N 2.9Å; S131-D134 PolarHBondContact O-N 2.94Å; D134-I137 WeakPolarHBondContact O-CG1 3.41Å; D134-S138 WeakPolarHBondContact O-CB 3.22Å; D134-S138 PolarHBondContact O-N 2.9Å; D134-S138 PolarHBondContact O-OG 3.39Å
135	V	88.3	Confident	92.9	Very high	78 Å²	78	50.4 Å²	50.4	47%	0.473	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.5	175.8	0	0	0	0	110.2	S131 E132 F133 S138 M139	S131-V135 WeakPolarHBondContact O-CG2 3.06Å; S131-V135 PolarHBondContact O-N 3.28Å; E132-V135 PolarHBondContact O-N 3.35Å; F133-V135 VanDerWaalsContact C-N 3.27Å; F133-V135 PolarHBondContact O-N 3.3Å; V135-S138 WeakPolarHBondContact CA-OG 3.28Å; V135-S138 PolarHBondContact O-OG 2.63Å; V135-M139 HydrophobicContact CG1-CG 4.49Å; V135-M139 WeakPolarHBondContact O-CB 3.48Å; V135-M139 WeakPolarHBondContact O-CG 3.36Å; V135-M139 PolarHBondContact O-N 3.41Å
136	E	91.6	Very high	93.2	Very high	83 Å²	83	47.2 Å²	47.2	39%	0.388	23%	0.234	S	C	.	.	H	α-helix	trans	-57.8	-54.6	176.2	-171.6	-171.3	149.3	0	0	111.5	K70 E132 F133 S138 M139	K70-E136 VanDerWaalsContact CE-OE1 3.32Å; K70-E136 WeakPolarHBondContact CE-OE1 3.32Å; K70-E136 IonicContact NZ-OE1 2.83Å; K70-E136 PolarHBondContact NZ-OE1 3.39Å; K70-E136 IonicContact NZ-OE2 3.18Å; E132-E136 PolarHBondContact O-N 3.47Å; F133-E136 WeakPolarHBondContact O-CA 3.37Å; F133-E136 WeakPolarHBondContact O-CB 3.22Å; F133-E136 PolarHBondContact O-N 3.4Å; F133-E136 VanDerWaalsContact O-N 3.08Å; E136-S138 PolarHBondContact O-N 2.81Å; E136-M139 PolarHBondContact O-N 3.01Å
137	I	94.6	Very high	93.3	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.087	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-33.2	-175.5	65.3	-178.6	0	0	0	112.7	Y73 F133 D134 M139 R140	Y73-I137 HydrophobicContact CD1-CB 4Å; Y73-I137 HydrophobicContact CD1-CG2 4.38Å; Y73-I137 HydrophobicContact CE1-CB 3.89Å; Y73-I137 HydrophobicContact CE1-CD1 4.49Å; Y73-I137 HydrophobicContact CE1-CG1 4.45Å; Y73-I137 HydrophobicContact CE2-CD1 4.31Å; Y73-I137 HydrophobicContact CG-CB 4.47Å; Y73-I137 HydrophobicContact CG-CG2 4.39Å; F133-I137 HydrophobicContact CD1-CD1 4.5Å; F133-I137 HydrophobicContact CD2-CG2 3.94Å; F133-I137 HydrophobicContact CE1-CD1 4.14Å; F133-I137 HydrophobicContact CE1-CG2 4.06Å; F133-I137 HydrophobicContact CE2-CG2 3.33Å; F133-I137 HydrophobicContact CZ-CD1 4.48Å; F133-I137 HydrophobicContact CZ-CG2 3.41Å; F133-I137 VanDerWaalsContact CZ-CG2 3.41Å; F133-I137 WeakPolarHBondContact O-CG1 3.09Å; F133-I137 PolarHBondContact O-N 3.45Å; D134-I137 WeakPolarHBondContact O-CG1 3.41Å; I137-M139 PolarHBondContact O-N 2.9Å; I137-R140 WeakPolarHBondContact O-CB 3.16Å; I137-R140 WeakPolarHBondContact O-CG 3.36Å; I137-R140 PolarHBondContact O-N 2.84Å
138	S	91.4	Very high	93.5	Very high	47 Å²	47	49 Å²	49	33%	0.329	24%	0.24	S	C	.	.	H	α-helix	trans	-70.8	-18.4	177	63.9	0	0	0	0	113.2	D134 V135 E136	D134-S138 WeakPolarHBondContact O-CB 3.22Å; D134-S138 PolarHBondContact O-N 2.9Å; D134-S138 PolarHBondContact O-OG 3.39Å; V135-S138 WeakPolarHBondContact CA-OG 3.28Å; V135-S138 PolarHBondContact O-OG 2.63Å; E136-S138 PolarHBondContact O-N 2.81Å
139	M	90.9	Very high	94	Very high	40 Å²	40	44.4 Å²	44.4	20%	0.197	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	10.6	177.9	-65.7	-63.8	-63.1	0	0	113.7	V135 E136 I137 E141 K176 L178	V135-M139 HydrophobicContact CG1-CG 4.49Å; V135-M139 WeakPolarHBondContact O-CB 3.48Å; V135-M139 WeakPolarHBondContact O-CG 3.36Å; V135-M139 PolarHBondContact O-N 3.41Å; E136-M139 PolarHBondContact O-N 3.01Å; I137-M139 PolarHBondContact O-N 2.9Å; M139-E141 PolarHBondContact O-N 3.1Å; M139-K176 HydrophobicContact SD-CB 3.8Å; M139-K176 HydrophobicContact SD-CD 4.05Å; M139-K176 HydrophobicContact SD-CG 4.19Å; M139-L178 HydrophobicContact CE-CD2 4.24Å; M139-L178 HydrophobicContact SD-CD2 4.49Å
140	R	95.3	Very high	94.1	Very high	34 Å²	34	40.8 Å²	40.8	13%	0.128	21%	0.207	C	C	.	.			trans	-74.6	92.5	-178.5	-72.3	-72.4	-65	-95.3	4	112.5	Y73 D74 I137 D142 V143 F144	Y73-R140 PolarHBondContact O-NH2 3.4Å; D74-R140 IonicContact OD1-CZ 3.77Å; D74-R140 IonicContact OD1-NH1 2.67Å; D74-R140 PolarHBondContact OD1-NH1 2.83Å; D74-R140 IonicContact OD1-NH2 3.06Å; D74-R140 PolarHBondContact OD1-NH2 3.4Å; I137-R140 WeakPolarHBondContact O-CB 3.16Å; I137-R140 WeakPolarHBondContact O-CG 3.36Å; I137-R140 PolarHBondContact O-N 2.84Å; R140-D142 VanDerWaalsContact C-N 3.28Å; R140-D142 WeakPolarHBondContact CB-OD1 3.48Å; R140-D142 IonicContact CZ-OD1 3.22Å; R140-D142 IonicContact CZ-OD2 2.7Å; R140-D142 IonicContact NE-OD1 2.72Å; R140-D142 PolarHBondContact NE-OD1 3.22Å; R140-D142 IonicContact NE-OD2 2.88Å; R140-D142 PolarHBondContact NE-OD2 3.11Å; R140-D142 IonicContact NH2-OD1 3.36Å; R140-D142 IonicContact NH2-OD2 3.62Å; R140-D142 PolarHBondContact NH2-OD2 3.25Å; R140-D142 PolarHBondContact O-N 3.44Å; R140-V143 HydrophobicContact CB-CB 3.9Å; R140-V143 HydrophobicContact CB-CG2 3.86Å; R140-V143 HydrophobicContact CG-CG2 4.49Å; R140-V143 PolarHBondContact O-N 3.23Å; R140-F144 PolarHBondContact O-N 3.36Å
141	E	95.3	Very high	94.1	Very high	35 Å²	35	43.5 Å²	43.5	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-37.4	177.3	-174.9	-175.9	126.8	0	0	112.9	M139 F144 K145 K182 Q185	M139-E141 PolarHBondContact O-N 3.1Å; E141-F144 PolarHBondContact O-N 2.84Å; E141-K145 HydrophobicContact CG-CD 4.44Å; E141-K145 WeakPolarHBondContact O-CG 3.44Å; E141-K145 PolarHBondContact O-N 2.65Å; E141-K145 WeakPolarHBondContact OE1-CE 3.18Å; E141-K145 IonicContact OE1-NZ 3.74Å; E141-K145 PolarHBondContact OE1-NZ 3.36Å; E141-K182 IonicContact OE1-NZ 3.31Å; E141-K182 WeakPolarHBondContact OE2-CE 3.38Å; E141-K182 IonicContact OE2-NZ 3.33Å; E141-K182 PolarHBondContact OE2-NZ 3.09Å; E141-Q185 PolarHBondContact OE2-NE2 2.88Å; E141-Q185 VanDerWaalsContact OE2-NE2 3.09Å; E141-Q185 PolarHBondContact OE2-OE1 3.22Å
142	D	97.4	Very high	94.3	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-42.4	177	60	-34.9	0	0	0	112.1	G77 R140 R146	G77-D142 WeakPolarHBondContact CA-OD2 3.41Å; R140-D142 VanDerWaalsContact C-N 3.28Å; R140-D142 WeakPolarHBondContact CB-OD1 3.48Å; R140-D142 IonicContact CZ-OD1 3.22Å; R140-D142 IonicContact CZ-OD2 2.7Å; R140-D142 IonicContact NE-OD1 2.72Å; R140-D142 PolarHBondContact NE-OD1 3.22Å; R140-D142 IonicContact NE-OD2 2.88Å; R140-D142 PolarHBondContact NE-OD2 3.11Å; R140-D142 IonicContact NH2-OD1 3.36Å; R140-D142 IonicContact NH2-OD2 3.62Å; R140-D142 PolarHBondContact NH2-OD2 3.25Å; R140-D142 PolarHBondContact O-N 3.44Å; D142-R146 WeakPolarHBondContact O-CD 3.2Å; D142-R146 PolarHBondContact O-NH1 3.33Å
143	V	98.3	Very high	94.3	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-68.8	-45.6	173.9	176.6	0	0	0	0	110.6	Y73 V76 L93 R140 K145 R146 I147	Y73-V143 HydrophobicContact CD1-CG1 4.29Å; Y73-V143 HydrophobicContact CD1-CG2 4.13Å; Y73-V143 VanDerWaalsContact O-CG2 3.3Å; Y73-V143 WeakPolarHBondContact O-CG2 3.38Å; V76-V143 HydrophobicContact CG1-CG1 4.16Å; L93-V143 HydrophobicContact CD1-CG1 4.15Å; L93-V143 HydrophobicContact CD2-CG1 4.19Å; R140-V143 HydrophobicContact CB-CB 3.9Å; R140-V143 HydrophobicContact CB-CG2 3.86Å; R140-V143 HydrophobicContact CG-CG2 4.49Å; R140-V143 PolarHBondContact O-N 3.23Å; V143-K145 VanDerWaalsContact C-N 3.28Å; V143-K145 PolarHBondContact O-N 2.93Å; V143-R146 PolarHBondContact O-N 3.37Å; V143-I147 HydrophobicContact CG1-CD1 3.9Å; V143-I147 HydrophobicContact CG1-CG1 4.4Å; V143-I147 WeakPolarHBondContact O-CG1 3.48Å; V143-I147 PolarHBondContact O-N 3.45Å
144	F	98.1	Very high	93.7	Very high	13 Å²	13	49.8 Å²	49.8	6%	0.057	24%	0.239	C	C	.	.	H	α-helix	trans	-58.4	-37.9	178.4	-179.6	-112.4	0	0	0	113	R140 E141 R146 I147 K148 Q174 L178 H179	R140-F144 PolarHBondContact O-N 3.36Å; E141-F144 PolarHBondContact O-N 2.84Å; F144-R146 VanDerWaalsContact C-N 3.28Å; F144-R146 PolarHBondContact O-N 3.36Å; F144-I147 PolarHBondContact O-N 2.89Å; F144-K148 HydrophobicContact CD1-CG 4.29Å; F144-K148 HydrophobicContact CD2-CG 4.43Å; F144-K148 HydrophobicContact CE1-CD 4.4Å; F144-K148 HydrophobicContact CE1-CG 3.86Å; F144-K148 HydrophobicContact CE2-CD 4.15Å; F144-K148 HydrophobicContact CE2-CG 4.01Å; F144-K148 HydrophobicContact CZ-CD 3.82Å; F144-K148 HydrophobicContact CZ-CG 3.71Å; F144-K148 WeakPolarHBondContact O-CG 3.49Å; F144-K148 PolarHBondContact O-N 2.81Å; F144-Q174 HydrophobicContact CZ-CG 4Å; F144-L178 HydrophobicContact CB-CB 4.24Å; F144-L178 HydrophobicContact CB-CD1 3.62Å; F144-L178 HydrophobicContact CD1-CB 3.46Å; F144-L178 VanDerWaalsContact CD1-CB 3.46Å; F144-L178 HydrophobicContact CD1-CD1 4.35Å; F144-L178 HydrophobicContact CD2-CD1 4.27Å; F144-L178 HydrophobicContact CE1-CB 3.85Å; F144-L178 HydrophobicContact CG-CB 3.82Å; F144-L178 HydrophobicContact CG-CD1 3.84Å; F144-H179 HydrophobicContact CE1-CB 4.07Å; F144-H179 HydrophobicContact CZ-CB 4.49Å
145	K	97.4	Very high	92.5	Very high	105 Å²	105	55.3 Å²	55.3	46%	0.457	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-38.2	173	-77.9	171.6	-178.5	167.3	0	112.5	I81 E141 V143 A149	I81-K145 HydrophobicContact CD1-CB 4.43Å; E141-K145 HydrophobicContact CG-CD 4.44Å; E141-K145 WeakPolarHBondContact O-CG 3.44Å; E141-K145 PolarHBondContact O-N 2.65Å; E141-K145 WeakPolarHBondContact OE1-CE 3.18Å; E141-K145 IonicContact OE1-NZ 3.74Å; E141-K145 PolarHBondContact OE1-NZ 3.36Å; V143-K145 VanDerWaalsContact C-N 3.28Å; V143-K145 PolarHBondContact O-N 2.93Å; K145-A149 WeakPolarHBondContact O-CB 3.38Å; K145-A149 PolarHBondContact O-N 3.5Å
146	R	97.9	Very high	91.2	Very high	38 Å²	38	59.1 Å²	59.1	14%	0.143	28%	0.281	C	S	.	.	H	α-helix	trans	-73.9	-40	178.2	-82	74.9	-173.2	-165	-9.6	111.2	V76 G77 L79 I81 V84 T89 D142 V143 F144 K148 A149 L150	V76-R146 HydrophobicContact CG1-CB 4.49Å; G77-R146 PolarHBondContact O-NH1 3.07Å; G77-R146 PolarHBondContact O-NH2 3.44Å; G77-R146 VanDerWaalsContact O-NH2 3.12Å; L79-R146 HydrophobicContact CB-CG 4.3Å; L79-R146 PolarHBondContact O-NE 2.8Å; L79-R146 PolarHBondContact O-NH2 3.22Å; I81-R146 HydrophobicContact CD1-CG 4.16Å; V84-R146 HydrophobicContact CG1-CB 3.88Å; V84-R146 HydrophobicContact CG1-CG 3.52Å; T89-R146 HydrophobicContact CG2-CB 4.35Å; D142-R146 WeakPolarHBondContact O-CD 3.2Å; D142-R146 PolarHBondContact O-NH1 3.33Å; V143-R146 PolarHBondContact O-N 3.37Å; F144-R146 VanDerWaalsContact C-N 3.28Å; F144-R146 PolarHBondContact O-N 3.36Å; R146-K148 VanDerWaalsContact C-N 3.35Å; R146-K148 PolarHBondContact O-N 3.27Å; R146-A149 PolarHBondContact O-N 3.02Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 PolarHBondContact O-N 3.01Å
147	I	97.4	Very high	90.2	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.062	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-46.7	172.7	-63.7	167.7	0	0	0	110.4	L93 V143 F144 L150 Q151 L166 L169 V170	L93-I147 HydrophobicContact CD1-CD1 3.88Å; L93-I147 HydrophobicContact CD1-CG1 3.94Å; V143-I147 HydrophobicContact CG1-CD1 3.9Å; V143-I147 HydrophobicContact CG1-CG1 4.4Å; V143-I147 WeakPolarHBondContact O-CG1 3.48Å; V143-I147 PolarHBondContact O-N 3.45Å; F144-I147 PolarHBondContact O-N 2.89Å; I147-L150 PolarHBondContact O-N 3.16Å; I147-Q151 PolarHBondContact O-N 2.82Å; I147-L166 HydrophobicContact CG2-CD1 3.79Å; I147-L169 HydrophobicContact CD1-CB 4.28Å; I147-L169 HydrophobicContact CD1-CD1 4.38Å; I147-L169 HydrophobicContact CG2-CB 3.95Å; I147-V170 HydrophobicContact CG2-CG2 3.66Å
148	K	96.5	Very high	89.6	Confident	61 Å²	61	64.9 Å²	64.9	27%	0.265	32%	0.318	S	S	.	.	H	α-helix	trans	-65.1	-38.3	176	-72.6	-64.3	-62.6	174.2	0	113.1	F144 R146 Q151 K152 V170	F144-K148 HydrophobicContact CD1-CG 4.29Å; F144-K148 HydrophobicContact CD2-CG 4.43Å; F144-K148 HydrophobicContact CE1-CD 4.4Å; F144-K148 HydrophobicContact CE1-CG 3.86Å; F144-K148 HydrophobicContact CE2-CD 4.15Å; F144-K148 HydrophobicContact CE2-CG 4.01Å; F144-K148 HydrophobicContact CZ-CD 3.82Å; F144-K148 HydrophobicContact CZ-CG 3.71Å; F144-K148 WeakPolarHBondContact O-CG 3.49Å; F144-K148 PolarHBondContact O-N 2.81Å; R146-K148 VanDerWaalsContact C-N 3.35Å; R146-K148 PolarHBondContact O-N 3.27Å; K148-Q151 PolarHBondContact O-N 2.9Å; K148-K152 PolarHBondContact O-N 3.06Å; K148-V170 HydrophobicContact CD-CG1 3.78Å; K148-V170 HydrophobicContact CD-CG2 4.05Å
149	A	95.6	Very high	89.5	Confident	13 Å²	13	65.1 Å²	65.1	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-41.9	175.5	0	0	0	0	0	111.5	I81 V84 K145 R146 K152 K153	I81-A149 HydrophobicContact CD1-CB 4.18Å; I81-A149 HydrophobicContact CG2-CB 3.75Å; V84-A149 HydrophobicContact CG2-CB 4.01Å; K145-A149 WeakPolarHBondContact O-CB 3.38Å; K145-A149 PolarHBondContact O-N 3.5Å; R146-A149 PolarHBondContact O-N 3.02Å; A149-K152 PolarHBondContact O-N 3.35Å; A149-K153 PolarHBondContact O-N 2.96Å
150	L	94.9	Very high	89.5	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-47.6	173.9	-178.5	64.1	0	0	0	110.5	V84 T89 L90 R146 I147 K152 K153 F154 L166	V84-L150 HydrophobicContact CG2-CB 4.29Å; T89-L150 HydrophobicContact CG2-CD2 4.06Å; L90-L150 HydrophobicContact CB-CD2 3.83Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 PolarHBondContact O-N 3.01Å; I147-L150 PolarHBondContact O-N 3.16Å; L150-K152 PolarHBondContact O-N 3.25Å; L150-K152 VanDerWaalsContact O-N 3.12Å; L150-K153 CarbonylContact O-C 3.57Å; L150-K153 WeakPolarHBondContact O-CA 3.43Å; L150-K153 PolarHBondContact O-N 3.34Å; L150-F154 HydrophobicContact CD1-CD2 4.27Å; L150-F154 HydrophobicContact CG-CD2 4.19Å; L150-F154 WeakPolarHBondContact O-CB 3.33Å; L150-F154 PolarHBondContact O-N 2.95Å; L150-L166 HydrophobicContact CD2-CD1 4.25Å; L150-L166 HydrophobicContact CG-CD2 4.4Å
151	Q	94.1	Very high	89.5	Confident	58 Å²	58	68.8 Å²	68.8	27%	0.271	35%	0.346	S	S	.	.	H	α-helix	trans	-53	-36.1	177.3	-168.4	-176.1	45.7	0	0	113.1	I147 K148 L166 D167 V170	I147-Q151 PolarHBondContact O-N 2.82Å; K148-Q151 PolarHBondContact O-N 2.9Å; Q151-L166 HydrophobicContact CB-CD2 4.24Å; Q151-L166 HydrophobicContact CB-CG 4.4Å; Q151-L166 HydrophobicContact CG-CD2 4.48Å; Q151-D167 PolarHBondContact NE2-OD1 3.42Å; Q151-V170 HydrophobicContact CB-CG2 4.39Å; Q151-V170 HydrophobicContact CG-CG2 4.48Å
152	K	91.3	Very high	89.4	Confident	173 Å²	173	69.5 Å²	69.5	75%	0.752	35%	0.349	S	S	*	.	H	α-helix	trans	-74.3	-31.1	175.9	-67.6	177.7	-179.1	-177.2	0	113.5	K148 A149 L150	K148-K152 PolarHBondContact O-N 3.06Å; A149-K152 PolarHBondContact O-N 3.35Å; L150-K152 PolarHBondContact O-N 3.25Å; L150-K152 VanDerWaalsContact O-N 3.12Å
153	K	86.9	Confident	89.2	Confident	93 Å²	93	72.9 Å²	72.9	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-89.6	-7.7	179.1	-75.4	176.9	164.8	-177.3	0	113.6	I81 E82 V84 A149 L150 Q155	I81-K153 PolarHBondContact O-NZ 2.95Å; E82-K153 PolarHBondContact O-NZ 2.9Å; V84-K153 HydrophobicContact CG2-CD 3.78Å; A149-K153 PolarHBondContact O-N 2.96Å; L150-K153 CarbonylContact O-C 3.57Å; L150-K153 WeakPolarHBondContact O-CA 3.43Å; L150-K153 PolarHBondContact O-N 3.34Å; K153-Q155 PolarHBondContact O-N 3.28Å
154	F	81.7	Confident	89.1	Confident	37 Å²	37	75.6 Å²	75.6	16%	0.162	37%	0.371	C	S	.	.			trans	-68.9	77.5	-173.2	-151.8	-117	0	0	0	109.3	L90 L150 P158 E162 K163 L166	L90-F154 HydrophobicContact CD2-CE2 4.1Å; L90-F154 HydrophobicContact CD2-CZ 4.17Å; L150-F154 HydrophobicContact CD1-CD2 4.27Å; L150-F154 HydrophobicContact CG-CD2 4.19Å; L150-F154 WeakPolarHBondContact O-CB 3.33Å; L150-F154 PolarHBondContact O-N 2.95Å; F154-P158 HydrophobicContact CD1-CB 4.22Å; F154-P158 HydrophobicContact CD1-CG 3.89Å; F154-P158 HydrophobicContact CE1-CB 3.34Å; F154-P158 HydrophobicContact CE1-CG 3.43Å; F154-P158 VanDerWaalsContact CE1-CG 3.43Å; F154-P158 HydrophobicContact CZ-CB 3.54Å; F154-P158 HydrophobicContact CZ-CG 4.14Å; F154-E162 HydrophobicContact CZ-CB 4.19Å; F154-K163 HydrophobicContact CE1-CB 4.32Å; F154-L166 HydrophobicContact CB-CD2 3.97Å; F154-L166 HydrophobicContact CD1-CD2 3.7Å; F154-L166 HydrophobicContact CD2-CD2 3.58Å; F154-L166 HydrophobicContact CE1-CD2 4Å; F154-L166 HydrophobicContact CE2-CD2 3.91Å; F154-L166 HydrophobicContact CG-CD2 3.48Å; F154-L166 VanDerWaalsContact CG-CD2 3.48Å; F154-L166 HydrophobicContact CZ-CD2 4.11Å
155	Q	68.4	Low	89	Confident	168 Å²	168	75 Å²	75	79%	0.785	37%	0.369	S	S	*	.			trans	-137.7	99	176.7	-72.7	-164.1	-13.3	0	0	108.7	K153	K153-Q155 PolarHBondContact O-N 3.28Å
156	D	60.3	Low	88.9	Confident	157 Å²	157	70.1 Å²	70.1	84%	0.84	35%	0.348	S	S	*	.	S	Bend	trans	177.5	101.5	132.4	-91.4	-24.5	0	0	0	106.6
157	N	70.3	Confident	88.8	Confident	172 Å²	172	71.1 Å²	71.1	92%	0.92	36%	0.356	S	S	*	.			trans	40.4	51.9	170.2	-132	27.9	0	0	0	118.3
158	P	82.5	Confident	88.8	Confident	49 Å²	49	74.7 Å²	74.7	32%	0.318	37%	0.369	S	S	.	.			trans	-64.9	151.6	178.2	30.6	-36.8	0	0	0	111.4	F154 E162	F154-P158 HydrophobicContact CD1-CB 4.22Å; F154-P158 HydrophobicContact CD1-CG 3.89Å; F154-P158 HydrophobicContact CE1-CB 3.34Å; F154-P158 HydrophobicContact CE1-CG 3.43Å; F154-P158 VanDerWaalsContact CE1-CG 3.43Å; F154-P158 HydrophobicContact CZ-CB 3.54Å; F154-P158 HydrophobicContact CZ-CG 4.14Å; P158-E162 HydrophobicContact CB-CB 4.42Å
159	S	88.9	Confident	88.8	Confident	52 Å²	52	72.7 Å²	72.7	36%	0.364	36%	0.361	S	S	.	.			trans	-62.5	154.7	169.8	69.8	0	0	0	0	111	E161 E162 K163	S159-E161 PolarHBondContact O-N 2.89Å; S159-E162 VanDerWaalsContact CB-OE2 3.26Å; S159-E162 WeakPolarHBondContact CB-OE2 3.39Å; S159-E162 PolarHBondContact N-OE2 3.4Å; S159-E162 PolarHBondContact O-N 3.41Å; S159-E162 WeakPolarHBondContact OG-CB 3.48Å; S159-E162 VanDerWaalsContact OG-CG 3.22Å; S159-E162 WeakPolarHBondContact OG-CG 3.06Å; S159-E162 PolarHBondContact OG-N 2.9Å; S159-E162 PolarHBondContact OG-OE2 2.94Å; S159-K163 PolarHBondContact O-N 3.05Å; S159-K163 VanDerWaalsContact O-N 3.14Å
160	T	91.8	Very high	88.8	Confident	124 Å²	124	72.2 Å²	72.2	76%	0.761	36%	0.356	S	S	*	.	H	α-helix	trans	-55.4	-38.8	178.1	-54.2	0	0	0	0	111.9	R164	T160-R164 PolarHBondContact O-N 3.48Å
161	E	94.1	Very high	88.9	Confident	28 Å²	28	73.9 Å²	73.9	13%	0.131	37%	0.367	C	S	.	.	H	α-helix	trans	-73.3	-38.4	-178	-154.1	-173.7	148.9	0	0	112.5	S159 K163 R164 F165 T513 T514 F515 F518 A678	S159-E161 PolarHBondContact O-N 2.89Å; E161-K163 VanDerWaalsContact C-N 3.35Å; E161-K163 PolarHBondContact O-N 3.47Å; E161-R164 PolarHBondContact O-N 3.09Å; E161-F165 WeakPolarHBondContact O-CB 3.34Å; E161-F165 PolarHBondContact O-N 2.59Å; E161-T513 WeakPolarHBondContact OE1-CB 3.19Å; E161-T514 VanDerWaalsContact CD-CB 3.45Å; E161-T514 VanDerWaalsContact CD-N 3.26Å; E161-T514 WeakPolarHBondContact OE1-CA 3.38Å; E161-T514 WeakPolarHBondContact OE1-CB 3.25Å; E161-T514 PolarHBondContact OE1-N 3.23Å; E161-T514 WeakPolarHBondContact OE2-CB 3.47Å; E161-T514 PolarHBondContact OE2-N 3.27Å; E161-T514 PolarHBondContact OE2-OG1 3.34Å; E161-F515 HydrophobicContact CB-CD2 4.44Å; E161-F515 HydrophobicContact CB-CE2 4.32Å; E161-F515 HydrophobicContact CG-CD2 3.84Å; E161-F515 HydrophobicContact CG-CE2 4.21Å; E161-F515 WeakPolarHBondContact OE1-CD2 3.23Å; E161-F515 PolarHBondContact OE1-N 2.84Å; E161-F518 HydrophobicContact CG-CD2 3.84Å; E161-F518 HydrophobicContact CG-CE2 4.13Å; E161-A678 HydrophobicContact CG-CB 3.91Å
162	E	93.7	Very high	89	Confident	49 Å²	49	74.5 Å²	74.5	23%	0.229	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-43.8	174.4	-77.2	162.9	140.1	0	0	111.6	L90 F154 P158 S159 F165 L166 F515	L90-E162 HydrophobicContact CD2-CB 4.35Å; F154-E162 HydrophobicContact CZ-CB 4.19Å; P158-E162 HydrophobicContact CB-CB 4.42Å; S159-E162 VanDerWaalsContact CB-OE2 3.26Å; S159-E162 WeakPolarHBondContact CB-OE2 3.39Å; S159-E162 PolarHBondContact N-OE2 3.4Å; S159-E162 PolarHBondContact O-N 3.41Å; S159-E162 WeakPolarHBondContact OG-CB 3.48Å; S159-E162 VanDerWaalsContact OG-CG 3.22Å; S159-E162 WeakPolarHBondContact OG-CG 3.06Å; S159-E162 PolarHBondContact OG-N 2.9Å; S159-E162 PolarHBondContact OG-OE2 2.94Å; E162-F165 PolarHBondContact O-N 3.48Å; E162-L166 PolarHBondContact O-N 2.92Å; E162-F515 HydrophobicContact CB-CE2 4.44Å; E162-F515 HydrophobicContact CB-CZ 4.42Å; E162-F515 HydrophobicContact CG-CE2 3.96Å; E162-F515 HydrophobicContact CG-CZ 3.7Å
163	K	94	Very high	89.2	Confident	118 Å²	118	66.5 Å²	66.5	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-47.1	175.2	-176.7	179.3	176.5	-175.5	0	110.8	F154 S159 E161 F165 L166 D167	F154-K163 HydrophobicContact CE1-CB 4.32Å; S159-K163 PolarHBondContact O-N 3.05Å; S159-K163 VanDerWaalsContact O-N 3.14Å; E161-K163 VanDerWaalsContact C-N 3.35Å; E161-K163 PolarHBondContact O-N 3.47Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 3.2Å; K163-L166 PolarHBondContact O-N 3.05Å; K163-D167 WeakPolarHBondContact O-CB 3.31Å; K163-D167 PolarHBondContact O-N 3.49Å
164	R	95.4	Very high	89.6	Confident	62 Å²	62	65.4 Å²	65.4	23%	0.234	34%	0.335	C	S	.	.	H	α-helix	trans	-60	-43.6	177.3	-174.3	-178	177.8	74.3	-9.4	111.8	T160 E161 D167 R168 F518 G677 A678 D680	T160-R164 PolarHBondContact O-N 3.48Å; E161-R164 PolarHBondContact O-N 3.09Å; R164-D167 PolarHBondContact O-N 3.36Å; R164-R168 VanDerWaalsContact O-CB 3.27Å; R164-R168 WeakPolarHBondContact O-CB 3.46Å; R164-R168 PolarHBondContact O-N 3.37Å; R164-F518 HydrophobicContact CB-CE2 4.3Å; R164-F518 HydrophobicContact CB-CZ 4.26Å; R164-F518 HydrophobicContact CG-CE1 4.31Å; R164-F518 HydrophobicContact CG-CE2 4.11Å; R164-F518 HydrophobicContact CG-CZ 3.66Å; R164-G677 PolarHBondContact NE-O 3.16Å; R164-G677 PolarHBondContact NH2-O 3.01Å; R164-A678 WeakPolarHBondContact CD-O 3.35Å; R164-D680 IonicContact CZ-OD1 3.01Å; R164-D680 IonicContact NH1-OD1 3.33Å; R164-D680 PolarHBondContact NH1-OD1 2.97Å; R164-D680 IonicContact NH2-OD1 2.59Å; R164-D680 PolarHBondContact NH2-OD1 2.98Å
165	F	96.2	Very high	90.3	Very high	1 Å²	1	64.4 Å²	64.4	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-61.5	-47.7	178.2	-179.1	-127	0	0	0	111.4	L90 A94 K97 E161 E162 K163 D167 R168 L169 F515 E517 F518	L90-F165 HydrophobicContact CD1-CD1 3.36Å; L90-F165 HydrophobicContact CD1-CE1 3.6Å; L90-F165 HydrophobicContact CD1-CG 4.39Å; L90-F165 HydrophobicContact CD2-CD1 4.41Å; L90-F165 HydrophobicContact CG-CD1 3.8Å; L90-F165 HydrophobicContact CG-CE1 4.07Å; A94-F165 HydrophobicContact CB-CE1 3.84Å; A94-F165 HydrophobicContact CB-CZ 4.22Å; K97-F165 HydrophobicContact CD-CE2 4.39Å; K97-F165 HydrophobicContact CD-CZ 4.07Å; E161-F165 WeakPolarHBondContact O-CB 3.34Å; E161-F165 PolarHBondContact O-N 2.59Å; E162-F165 PolarHBondContact O-N 3.48Å; K163-F165 VanDerWaalsContact C-N 3.34Å; K163-F165 PolarHBondContact O-N 3.2Å; F165-D167 PolarHBondContact O-N 3.27Å; F165-R168 WeakPolarHBondContact O-CB 3.41Å; F165-R168 PolarHBondContact O-N 2.88Å; F165-L169 HydrophobicContact CD1-CD1 4.32Å; F165-L169 HydrophobicContact CD2-CG 4.39Å; F165-L169 HydrophobicContact CE1-CD1 3.85Å; F165-L169 HydrophobicContact CE2-CD1 4.2Å; F165-L169 HydrophobicContact CE2-CD2 4.05Å; F165-L169 HydrophobicContact CE2-CG 4.05Å; F165-L169 HydrophobicContact CZ-CD1 3.8Å; F165-L169 HydrophobicContact CZ-CD2 4.18Å; F165-L169 HydrophobicContact CZ-CG 4.15Å; F165-L169 WeakPolarHBondContact O-CG 3.21Å; F165-L169 PolarHBondContact O-N 2.91Å; F165-F515 HydrophobicContact CB-CD1 4.45Å; F165-F515 HydrophobicContact CB-CD2 3.84Å; F165-F515 HydrophobicContact CB-CE2 3.97Å; F165-F515 HydrophobicContact CB-CG 4.11Å; F165-F515 HydrophobicContact CB-CZ 4.34Å; F165-F515 AromaticContact CD1-CD1 3.62Å; F165-F515 HydrophobicContact CD1-CD1 3.62Å; F165-F515 HydrophobicContact CD1-CD2 4.48Å; F165-F515 AromaticContact CD1-CE1 3.59Å; F165-F515 HydrophobicContact CD1-CE1 3.59Å; F165-F515 HydrophobicContact CD1-CE2 4.46Å; F165-F515 HydrophobicContact CD1-CG 4.09Å; F165-F515 HydrophobicContact CD1-CZ 4.04Å; F165-F515 HydrophobicContact CD2-CB 4.39Å; F165-F515 HydrophobicContact CD2-CD1 4.43Å; F165-F515 HydrophobicContact CD2-CG 4.29Å; F165-F515 AromaticContact CE1-CD1 3.91Å; F165-F515 HydrophobicContact CE1-CD1 3.91Å; F165-F515 HydrophobicContact CE1-CE1 4.03Å; F165-F515 HydrophobicContact CG-CB 4.49Å; F165-F515 AromaticContact CG-CD1 3.93Å; F165-F515 HydrophobicContact CG-CD1 3.93Å; F165-F515 HydrophobicContact CG-CD2 4.16Å; F165-F515 HydrophobicContact CG-CE1 4.21Å; F165-F515 HydrophobicContact CG-CE2 4.44Å; F165-F515 AromaticContact CG-CG 3.91Å; F165-F515 HydrophobicContact CG-CG 3.91Å; F165-F515 HydrophobicContact CG-CZ 4.46Å; F165-F515 HydrophobicContact CZ-CD1 4.42Å; F165-E517 HydrophobicContact CD2-CB 4.43Å; F165-E517 HydrophobicContact CD2-CG 4.39Å; F165-E517 HydrophobicContact CE2-CB 4.3Å; F165-E517 HydrophobicContact CE2-CG 3.78Å; F165-E517 WeakPolarHBondContact CE2-OE2 3.36Å; F165-F518 HydrophobicContact CB-CE2 3.88Å; F165-F518 HydrophobicContact CB-CZ 4.27Å; F165-F518 HydrophobicContact CD2-CE2 4.49Å
166	L	96.3	Very high	91.4	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.7	179.9	57	0	0	0	112.2	L90 I147 L150 Q151 F154 E162 K163 R168 L169 V170	L90-L166 HydrophobicContact CD1-CB 4.09Å; L90-L166 HydrophobicContact CD1-CD1 4.21Å; I147-L166 HydrophobicContact CG2-CD1 3.79Å; L150-L166 HydrophobicContact CD2-CD1 4.25Å; L150-L166 HydrophobicContact CG-CD2 4.4Å; Q151-L166 HydrophobicContact CB-CD2 4.24Å; Q151-L166 HydrophobicContact CB-CG 4.4Å; Q151-L166 HydrophobicContact CG-CD2 4.48Å; F154-L166 HydrophobicContact CB-CD2 3.97Å; F154-L166 HydrophobicContact CD1-CD2 3.7Å; F154-L166 HydrophobicContact CD2-CD2 3.58Å; F154-L166 HydrophobicContact CE1-CD2 4Å; F154-L166 HydrophobicContact CE2-CD2 3.91Å; F154-L166 HydrophobicContact CG-CD2 3.48Å; F154-L166 VanDerWaalsContact CG-CD2 3.48Å; F154-L166 HydrophobicContact CZ-CD2 4.11Å; E162-L166 PolarHBondContact O-N 2.92Å; K163-L166 PolarHBondContact O-N 3.05Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.21Å; L166-L169 PolarHBondContact O-N 2.63Å; L166-V170 WeakPolarHBondContact O-CG2 3.15Å; L166-V170 PolarHBondContact O-N 3.3Å
167	D	95.3	Very high	93.1	Very high	59 Å²	59	52.8 Å²	52.8	32%	0.316	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-39.3	177.7	-73	-23.4	0	0	0	111.2	Q151 K163 R164 F165 V170 T171	Q151-D167 PolarHBondContact NE2-OD1 3.42Å; K163-D167 WeakPolarHBondContact O-CB 3.31Å; K163-D167 PolarHBondContact O-N 3.49Å; R164-D167 PolarHBondContact O-N 3.36Å; F165-D167 PolarHBondContact O-N 3.27Å; D167-V170 PolarHBondContact O-N 3.09Å; D167-T171 PolarHBondContact O-N 3.46Å; D167-T171 PolarHBondContact O-OG1 2.68Å; D167-T171 VanDerWaalsContact O-OG1 3.11Å
168	R	95.9	Very high	94.3	Very high	88 Å²	88	45.1 Å²	45.1	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-44.9	174.6	-174.1	64.5	170.3	-171.4	-2.5	111.8	R164 F165 L166 V170 T171 L172 F518	R164-R168 VanDerWaalsContact O-CB 3.27Å; R164-R168 WeakPolarHBondContact O-CB 3.46Å; R164-R168 PolarHBondContact O-N 3.37Å; F165-R168 WeakPolarHBondContact O-CB 3.41Å; F165-R168 PolarHBondContact O-N 2.88Å; L166-R168 VanDerWaalsContact C-N 3.32Å; L166-R168 PolarHBondContact O-N 3.21Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 3.19Å; R168-T171 PolarHBondContact O-N 3.29Å; R168-L172 HydrophobicContact CG-CD1 4.17Å; R168-L172 HydrophobicContact CG-CG 4.48Å; R168-L172 WeakPolarHBondContact O-CB 3.49Å; R168-L172 VanDerWaalsContact O-CG 3.28Å; R168-L172 WeakPolarHBondContact O-CG 3.32Å; R168-L172 PolarHBondContact O-N 2.86Å; R168-F518 HydrophobicContact CB-CZ 4.38Å; R168-F518 HydrophobicContact CG-CE1 4.48Å
169	L	96.9	Very high	94.9	Very high	18 Å²	18	47.3 Å²	47.3	9%	0.094	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-40	175.8	-69.6	177.4	0	0	0	111.8	L90 L93 I147 F165 L166 G173	L90-L169 HydrophobicContact CD1-CD1 3.92Å; L93-L169 HydrophobicContact CD1-CD1 4.39Å; I147-L169 HydrophobicContact CD1-CB 4.28Å; I147-L169 HydrophobicContact CD1-CD1 4.38Å; I147-L169 HydrophobicContact CG2-CB 3.95Å; F165-L169 HydrophobicContact CD1-CD1 4.32Å; F165-L169 HydrophobicContact CD2-CG 4.39Å; F165-L169 HydrophobicContact CE1-CD1 3.85Å; F165-L169 HydrophobicContact CE2-CD1 4.2Å; F165-L169 HydrophobicContact CE2-CD2 4.05Å; F165-L169 HydrophobicContact CE2-CG 4.05Å; F165-L169 HydrophobicContact CZ-CD1 3.8Å; F165-L169 HydrophobicContact CZ-CD2 4.18Å; F165-L169 HydrophobicContact CZ-CG 4.15Å; F165-L169 WeakPolarHBondContact O-CG 3.21Å; F165-L169 PolarHBondContact O-N 2.91Å; L166-L169 PolarHBondContact O-N 2.63Å; L169-G173 PolarHBondContact O-N 3.48Å; L169-G173 VanDerWaalsContact O-N 3.1Å
170	V	96.9	Very high	95.3	Very high	3 Å²	3	47 Å²	47	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-49.7	176.4	170.7	0	0	0	0	111.2	I147 K148 Q151 L166 D167 R168 L172 G173 Q174	I147-V170 HydrophobicContact CG2-CG2 3.66Å; K148-V170 HydrophobicContact CD-CG1 3.78Å; K148-V170 HydrophobicContact CD-CG2 4.05Å; Q151-V170 HydrophobicContact CB-CG2 4.39Å; Q151-V170 HydrophobicContact CG-CG2 4.48Å; L166-V170 WeakPolarHBondContact O-CG2 3.15Å; L166-V170 PolarHBondContact O-N 3.3Å; D167-V170 PolarHBondContact O-N 3.09Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 3.19Å; V170-L172 VanDerWaalsContact C-N 3.35Å; V170-L172 PolarHBondContact O-N 3.06Å; V170-G173 PolarHBondContact O-N 2.65Å; V170-Q174 HydrophobicContact CG1-CG 4.46Å; V170-Q174 WeakPolarHBondContact O-CG 3.38Å; V170-Q174 PolarHBondContact O-N 3.35Å
171	T	96.1	Very high	95.5	Very high	41 Å²	41	43.6 Å²	43.6	25%	0.252	21%	0.209	S	C	.	.	H	α-helix	trans	-57.4	-47.5	178	-64	0	0	0	0	110.9	D167 R168 G173 Q174 R175 I309	D167-T171 PolarHBondContact O-N 3.46Å; D167-T171 PolarHBondContact O-OG1 2.68Å; D167-T171 VanDerWaalsContact O-OG1 3.11Å; R168-T171 PolarHBondContact O-N 3.29Å; T171-G173 VanDerWaalsContact C-N 3.35Å; T171-G173 PolarHBondContact O-N 2.85Å; T171-Q174 PolarHBondContact O-N 2.71Å; T171-Q174 VanDerWaalsContact O-N 3.14Å; T171-R175 HydrophobicContact CG2-CG 4.26Å; T171-R175 WeakPolarHBondContact O-CB 3.48Å; T171-R175 WeakPolarHBondContact O-CG 3.48Å; T171-R175 PolarHBondContact O-N 3.33Å; T171-I309 HydrophobicContact CG2-CG2 4.27Å
172	L	95.4	Very high	95.5	Very high	71 Å²	71	47.3 Å²	47.3	37%	0.372	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-41.1	178.5	-69.9	175.5	0	0	0	112.5	R168 V170 R175 K176	R168-L172 HydrophobicContact CG-CD1 4.17Å; R168-L172 HydrophobicContact CG-CG 4.48Å; R168-L172 WeakPolarHBondContact O-CB 3.49Å; R168-L172 VanDerWaalsContact O-CG 3.28Å; R168-L172 WeakPolarHBondContact O-CG 3.32Å; R168-L172 PolarHBondContact O-N 2.86Å; V170-L172 VanDerWaalsContact C-N 3.35Å; V170-L172 PolarHBondContact O-N 3.06Å; L172-R175 PolarHBondContact O-N 3.48Å; L172-K176 WeakPolarHBondContact O-CG 3.37Å; L172-K176 PolarHBondContact O-N 2.84Å
173	G	96.4	Very high	95.5	Very high	5 Å²	5	51.2 Å²	51.2	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-36.7	174.8	0	0	0	0	0	113.1	L169 V170 T171 K176 G177 L178	L169-G173 PolarHBondContact O-N 3.48Å; L169-G173 VanDerWaalsContact O-N 3.1Å; V170-G173 PolarHBondContact O-N 2.65Å; T171-G173 VanDerWaalsContact C-N 3.35Å; T171-G173 PolarHBondContact O-N 2.85Å; G173-K176 PolarHBondContact O-N 3.11Å; G173-G177 PolarHBondContact O-N 3.27Å; G173-L178 WeakPolarHBondContact O-CB 3.47Å; G173-L178 WeakPolarHBondContact O-CG 3.45Å; G173-L178 PolarHBondContact O-N 3.43Å; G173-L178 VanDerWaalsContact O-N 3.09Å
174	Q	95.9	Very high	95.6	Very high	70 Å²	70	48.1 Å²	48.1	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-66.2	-43.8	175.1	-72.9	177.2	-47.5	0	0	112	F144 V170 T171 K176 G177 H179	F144-Q174 HydrophobicContact CZ-CG 4Å; V170-Q174 HydrophobicContact CG1-CG 4.46Å; V170-Q174 WeakPolarHBondContact O-CG 3.38Å; V170-Q174 PolarHBondContact O-N 3.35Å; T171-Q174 PolarHBondContact O-N 2.71Å; T171-Q174 VanDerWaalsContact O-N 3.14Å; Q174-K176 PolarHBondContact O-N 2.79Å; Q174-K176 VanDerWaalsContact O-N 3.14Å; Q174-G177 WeakPolarHBondContact O-CA 3.22Å; Q174-G177 PolarHBondContact O-N 2.81Å; Q174-H179 WeakPolarHBondContact CA-ND1 3.39Å; Q174-H179 PolarHBondContact O-CE1 2.83Å; Q174-H179 PolarHBondContact O-ND1 3.41Å
175	R	94.9	Very high	95.5	Very high	16 Å²	16	45.9 Å²	45.9	6%	0.06	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-13.9	175.6	-68.5	172.6	65.5	69.5	3.7	114.4	T171 L172 L297 Y305 E308	T171-R175 HydrophobicContact CG2-CG 4.26Å; T171-R175 WeakPolarHBondContact O-CB 3.48Å; T171-R175 WeakPolarHBondContact O-CG 3.48Å; T171-R175 PolarHBondContact O-N 3.33Å; L172-R175 PolarHBondContact O-N 3.48Å; R175-L297 WeakPolarHBondContact O-CD1 3.2Å; R175-Y305 HydrophobicContact CB-CE2 4Å; R175-Y305 HydrophobicContact CG-CE2 4.32Å; R175-Y305 VanDerWaalsContact CZ-O 3.23Å; R175-Y305 PolarHBondContact NH1-O 3.39Å; R175-Y305 PolarHBondContact NH2-O 2.83Å; R175-Y305 PolarHBondContact O-OH 2.85Å; R175-E308 VanDerWaalsContact CD-OE2 3.29Å; R175-E308 WeakPolarHBondContact CD-OE2 3.47Å; R175-E308 WeakPolarHBondContact CG-OE2 3.5Å; R175-E308 IonicContact CZ-OE2 3.43Å; R175-E308 IonicContact NE-OE2 2.63Å; R175-E308 IonicContact NH1-OE2 3.59Å; R175-E308 PolarHBondContact NH1-OE2 2.71Å
176	K	93.1	Very high	95.3	Very high	81 Å²	81	52.3 Å²	52.3	35%	0.352	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.4	171.1	-68.3	-63.6	-174.6	-176.8	0	113.2	M139 L172 G173 Q174 L178	M139-K176 HydrophobicContact SD-CB 3.8Å; M139-K176 HydrophobicContact SD-CD 4.05Å; M139-K176 HydrophobicContact SD-CG 4.19Å; L172-K176 WeakPolarHBondContact O-CG 3.37Å; L172-K176 PolarHBondContact O-N 2.84Å; G173-K176 PolarHBondContact O-N 3.11Å; Q174-K176 PolarHBondContact O-N 2.79Å; Q174-K176 VanDerWaalsContact O-N 3.14Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 HydrophobicContact CB-CG 4.25Å
177	G	95.7	Very high	95.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	15.3	178.9	0	0	0	0	0	114.3	G173 Q174 H179 L180 Q185	G173-G177 PolarHBondContact O-N 3.27Å; Q174-G177 WeakPolarHBondContact O-CA 3.22Å; Q174-G177 PolarHBondContact O-N 2.81Å; G177-H179 PolarHBondContact O-N 3.28Å; G177-L180 VanDerWaalsContact O-CB 3.3Å; G177-L180 WeakPolarHBondContact O-CB 3.31Å; G177-L180 PolarHBondContact O-N 3.32Å; G177-Q185 WeakPolarHBondContact O-CG 3.5Å
178	L	96	Very high	95.2	Very high	10 Å²	10	52 Å²	52	5%	0.052	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-11	-176.2	-62.5	-176.2	0	0	0	114.6	M139 F144 G173 K176	M139-L178 HydrophobicContact CE-CD2 4.24Å; M139-L178 HydrophobicContact SD-CD2 4.49Å; F144-L178 HydrophobicContact CB-CB 4.24Å; F144-L178 HydrophobicContact CB-CD1 3.62Å; F144-L178 HydrophobicContact CD1-CB 3.46Å; F144-L178 VanDerWaalsContact CD1-CB 3.46Å; F144-L178 HydrophobicContact CD1-CD1 4.35Å; F144-L178 HydrophobicContact CD2-CD1 4.27Å; F144-L178 HydrophobicContact CE1-CB 3.85Å; F144-L178 HydrophobicContact CG-CB 3.82Å; F144-L178 HydrophobicContact CG-CD1 3.84Å; G173-L178 WeakPolarHBondContact O-CB 3.47Å; G173-L178 WeakPolarHBondContact O-CG 3.45Å; G173-L178 PolarHBondContact O-N 3.43Å; G173-L178 VanDerWaalsContact O-N 3.09Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 HydrophobicContact CB-CG 4.25Å
179	H	94.9	Very high	94.8	Very high	96 Å²	96	54.1 Å²	54.1	44%	0.444	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6.9	174.4	65.8	-73	0	0	0	113.1	F144 Q174 G177	F144-H179 HydrophobicContact CE1-CB 4.07Å; F144-H179 HydrophobicContact CZ-CB 4.49Å; Q174-H179 WeakPolarHBondContact CA-ND1 3.39Å; Q174-H179 PolarHBondContact O-CE1 2.83Å; Q174-H179 PolarHBondContact O-ND1 3.41Å; G177-H179 PolarHBondContact O-N 3.28Å
180	L	96.3	Very high	94.7	Very high	44 Å²	44	59.5 Å²	59.5	23%	0.23	28%	0.282	C	S	.	.	S	Bend	trans	-94.9	173.1	-177.2	-56.2	174.3	0	0	0	111.2	G177 I184 Q185 L296 L297	G177-L180 VanDerWaalsContact O-CB 3.3Å; G177-L180 WeakPolarHBondContact O-CB 3.31Å; G177-L180 PolarHBondContact O-N 3.32Å; L180-I184 HydrophobicContact CB-CB 4.15Å; L180-I184 HydrophobicContact CB-CD1 4.41Å; L180-I184 HydrophobicContact CB-CG2 4.09Å; L180-I184 HydrophobicContact CD1-CG2 3.65Å; L180-I184 HydrophobicContact CG-CG2 4.49Å; L180-Q185 PolarHBondContact O-NE2 3.14Å; L180-L296 WeakPolarHBondContact CD1-O 3.28Å; L180-L297 HydrophobicContact CD1-CD2 4.05Å
181	S	95.9	Very high	94.5	Very high	53 Å²	53	59.3 Å²	59.3	37%	0.371	28%	0.281	S	S	.	.			trans	-63.2	158.4	178.9	88.2	0	0	0	0	112	E183 I184 Q185	S181-E183 WeakPolarHBondContact CB-OE2 3.34Å; S181-E183 PolarHBondContact O-N 3.17Å; S181-E183 PolarHBondContact OG-OE2 2.76Å; S181-I184 PolarHBondContact O-N 3.36Å; S181-I184 PolarHBondContact OG-N 3.36Å; S181-Q185 WeakPolarHBondContact O-CG 3.49Å; S181-Q185 PolarHBondContact O-N 3.32Å
182	K	93.3	Very high	94.3	Very high	107 Å²	107	59.6 Å²	59.6	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-33.6	-179.3	-75.2	-59.6	-163.2	-178.4	0	112.6	E141 Q185 Q186	E141-K182 IonicContact OE1-NZ 3.31Å; E141-K182 WeakPolarHBondContact OE2-CE 3.38Å; E141-K182 IonicContact OE2-NZ 3.33Å; E141-K182 PolarHBondContact OE2-NZ 3.09Å; K182-Q185 PolarHBondContact O-N 3.36Å; K182-Q186 WeakPolarHBondContact O-CB 3.21Å; K182-Q186 VanDerWaalsContact O-CG 3.27Å; K182-Q186 WeakPolarHBondContact O-CG 3.3Å; K182-Q186 PolarHBondContact O-N 3.1Å
183	E	95.6	Very high	94	Very high	130 Å²	130	63 Å²	63	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-64.4	-46.8	177.7	-57.4	70.5	-149.1	0	0	110.5	S181 Q186 E187	S181-E183 WeakPolarHBondContact CB-OE2 3.34Å; S181-E183 PolarHBondContact O-N 3.17Å; S181-E183 PolarHBondContact OG-OE2 2.76Å; E183-Q186 PolarHBondContact O-N 2.89Å; E183-E187 PolarHBondContact O-N 3.12Å
184	I	95.9	Very high	93.9	Very high	54 Å²	54	65.4 Å²	65.4	28%	0.277	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-44.1	177.5	-62.8	173.4	0	0	0	110.5	L180 S181 Q186 E187 V188 L296	L180-I184 HydrophobicContact CB-CB 4.15Å; L180-I184 HydrophobicContact CB-CD1 4.41Å; L180-I184 HydrophobicContact CB-CG2 4.09Å; L180-I184 HydrophobicContact CD1-CG2 3.65Å; L180-I184 HydrophobicContact CG-CG2 4.49Å; S181-I184 PolarHBondContact O-N 3.36Å; S181-I184 PolarHBondContact OG-N 3.36Å; I184-Q186 VanDerWaalsContact C-N 3.31Å; I184-Q186 PolarHBondContact O-N 3.48Å; I184-E187 PolarHBondContact O-N 3.43Å; I184-V188 HydrophobicContact CG2-CG2 4.17Å; I184-V188 WeakPolarHBondContact O-CG2 3.39Å; I184-V188 PolarHBondContact O-N 2.89Å; I184-L296 HydrophobicContact CG2-CB 4.2Å; I184-L296 HydrophobicContact CG2-CD2 4.32Å
185	Q	92.1	Very high	93.8	Very high	15 Å²	15	63.2 Å²	63.2	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-57.4	-43.2	176.3	-71.2	178.9	33.3	0	0	112.3	E141 G177 L180 S181 K182 K189	E141-Q185 PolarHBondContact OE2-NE2 2.88Å; E141-Q185 VanDerWaalsContact OE2-NE2 3.09Å; E141-Q185 PolarHBondContact OE2-OE1 3.22Å; G177-Q185 WeakPolarHBondContact O-CG 3.5Å; L180-Q185 PolarHBondContact O-NE2 3.14Å; S181-Q185 WeakPolarHBondContact O-CG 3.49Å; S181-Q185 PolarHBondContact O-N 3.32Å; K182-Q185 PolarHBondContact O-N 3.36Å; Q185-K189 VanDerWaalsContact O-CB 3.31Å; Q185-K189 WeakPolarHBondContact O-CB 3.42Å; Q185-K189 PolarHBondContact O-N 3.2Å
186	Q	92	Very high	93.6	Very high	136 Å²	136	65.4 Å²	65.4	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-64.9	-41	177.8	-76.3	175.3	3.8	0	0	111.8	K182 E183 I184 K189 R190	K182-Q186 WeakPolarHBondContact O-CB 3.21Å; K182-Q186 VanDerWaalsContact O-CG 3.27Å; K182-Q186 WeakPolarHBondContact O-CG 3.3Å; K182-Q186 PolarHBondContact O-N 3.1Å; E183-Q186 PolarHBondContact O-N 2.89Å; I184-Q186 VanDerWaalsContact C-N 3.31Å; I184-Q186 PolarHBondContact O-N 3.48Å; Q186-K189 PolarHBondContact O-N 2.81Å; Q186-R190 WeakPolarHBondContact O-CB 3.36Å; Q186-R190 PolarHBondContact O-N 2.93Å
187	E	95.4	Very high	93.2	Very high	49 Å²	49	65.4 Å²	65.4	23%	0.229	32%	0.32	C	S	.	.	H	α-helix	trans	-69.5	-41.7	178.9	-176.3	64.9	175.1	0	0	112.3	E183 I184 K189 R190 T191 K292 L296	E183-E187 PolarHBondContact O-N 3.12Å; I184-E187 PolarHBondContact O-N 3.43Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.31Å; E187-R190 PolarHBondContact O-N 3.21Å; E187-R190 IonicContact OE1-CZ 3.7Å; E187-R190 IonicContact OE1-NH2 3.26Å; E187-R190 PolarHBondContact OE1-NH2 3.01Å; E187-R190 IonicContact OE2-CZ 3.41Å; E187-R190 IonicContact OE2-NE 3.27Å; E187-R190 PolarHBondContact OE2-NE 3.4Å; E187-R190 IonicContact OE2-NH2 3.93Å; E187-R190 PolarHBondContact OE2-NH2 2.8Å; E187-T191 VanDerWaalsContact O-CB 3.27Å; E187-T191 WeakPolarHBondContact O-CB 3.42Å; E187-T191 PolarHBondContact O-N 3.3Å; E187-T191 PolarHBondContact O-OG1 2.99Å; E187-K292 WeakPolarHBondContact OE1-CE 3.45Å; E187-K292 IonicContact OE1-NZ 2.9Å; E187-K292 PolarHBondContact OE1-NZ 3.27Å; E187-L296 HydrophobicContact CB-CD1 4.23Å; E187-L296 HydrophobicContact CG-CD1 3.63Å
188	V	93.6	Very high	93.2	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-59	-45.9	172	169.1	0	0	0	0	110.1	I184 T191 S192 V293 L296 L297	I184-V188 HydrophobicContact CG2-CG2 4.17Å; I184-V188 WeakPolarHBondContact O-CG2 3.39Å; I184-V188 PolarHBondContact O-N 2.89Å; V188-T191 PolarHBondContact O-N 3.46Å; V188-S192 VanDerWaalsContact O-CB 3.22Å; V188-S192 WeakPolarHBondContact O-CB 3.16Å; V188-S192 PolarHBondContact O-N 3.43Å; V188-S192 PolarHBondContact O-OG 3.21Å; V188-V293 HydrophobicContact CG1-CG1 4.36Å; V188-L296 HydrophobicContact CG2-CB 3.85Å; V188-L296 HydrophobicContact CG2-CD1 4.01Å; V188-L297 HydrophobicContact CG1-CD2 4.48Å; V188-L297 HydrophobicContact CG2-CD2 4.12Å; V188-L297 HydrophobicContact CG2-CG 4.29Å
189	K	89.6	Confident	93.1	Very high	133 Å²	133	66.7 Å²	66.7	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-49.9	177.9	-178.6	178.1	-179.9	175.9	0	112	Q185 Q186 E187 T191 S192 K193	Q185-K189 VanDerWaalsContact O-CB 3.31Å; Q185-K189 WeakPolarHBondContact O-CB 3.42Å; Q185-K189 PolarHBondContact O-N 3.2Å; Q186-K189 PolarHBondContact O-N 2.81Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.31Å; K189-T191 VanDerWaalsContact C-N 3.34Å; K189-T191 PolarHBondContact O-N 3.31Å; K189-S192 PolarHBondContact O-N 2.85Å; K189-K193 PolarHBondContact O-N 3.38Å
190	R	92.8	Very high	92.5	Very high	130 Å²	130	67.1 Å²	67.1	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-44.3	-179.7	-172.3	-172.9	66.3	69.7	7.4	111.3	Q186 E187 L194	Q186-R190 WeakPolarHBondContact O-CB 3.36Å; Q186-R190 PolarHBondContact O-N 2.93Å; E187-R190 PolarHBondContact O-N 3.21Å; E187-R190 IonicContact OE1-CZ 3.7Å; E187-R190 IonicContact OE1-NH2 3.26Å; E187-R190 PolarHBondContact OE1-NH2 3.01Å; E187-R190 IonicContact OE2-CZ 3.41Å; E187-R190 IonicContact OE2-NE 3.27Å; E187-R190 PolarHBondContact OE2-NE 3.4Å; E187-R190 IonicContact OE2-NH2 3.93Å; E187-R190 PolarHBondContact OE2-NH2 2.8Å; R190-L194 PolarHBondContact O-N 3.43Å
191	T	94.6	Very high	92.2	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-70.5	-42.3	-178.5	-52.3	0	0	0	0	111.3	E187 V188 K189 K193 L194 I195 L289 V293	E187-T191 VanDerWaalsContact O-CB 3.27Å; E187-T191 WeakPolarHBondContact O-CB 3.42Å; E187-T191 PolarHBondContact O-N 3.3Å; E187-T191 PolarHBondContact O-OG1 2.99Å; V188-T191 PolarHBondContact O-N 3.46Å; K189-T191 VanDerWaalsContact C-N 3.34Å; K189-T191 PolarHBondContact O-N 3.31Å; T191-K193 VanDerWaalsContact C-N 3.31Å; T191-K193 PolarHBondContact O-N 3.43Å; T191-L194 PolarHBondContact O-N 3.23Å; T191-I195 HydrophobicContact CG2-CD1 4.39Å; T191-I195 WeakPolarHBondContact O-CG1 3.29Å; T191-I195 PolarHBondContact O-N 3.38Å; T191-L289 HydrophobicContact CG2-CB 3.98Å; T191-L289 HydrophobicContact CG2-CD2 3.76Å; T191-L289 HydrophobicContact CG2-CG 4.44Å; T191-V293 HydrophobicContact CG2-CG2 3.51Å
192	S	91.8	Very high	92.2	Very high	47 Å²	47	65.2 Å²	65.2	33%	0.329	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-36.8	176.4	-58.3	0	0	0	0	112.5	V188 K189 I195 S196	V188-S192 VanDerWaalsContact O-CB 3.22Å; V188-S192 WeakPolarHBondContact O-CB 3.16Å; V188-S192 PolarHBondContact O-N 3.43Å; V188-S192 PolarHBondContact O-OG 3.21Å; K189-S192 PolarHBondContact O-N 2.85Å; S192-I195 PolarHBondContact O-N 3.23Å; S192-S196 PolarHBondContact O-N 3.25Å
193	K	88.1	Confident	91.8	Very high	141 Å²	141	61.9 Å²	61.9	61%	0.613	30%	0.303	S	S	*	.	H	α-helix	trans	-60.7	-47.5	173.4	-177.8	178.2	176.8	179.4	0	111.3	K189 T191 I195 S196 D197	K189-K193 PolarHBondContact O-N 3.38Å; T191-K193 VanDerWaalsContact C-N 3.31Å; T191-K193 PolarHBondContact O-N 3.43Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 PolarHBondContact O-N 3.3Å; K193-S196 WeakPolarHBondContact O-CB 3.46Å; K193-S196 PolarHBondContact O-N 2.73Å; K193-S196 VanDerWaalsContact O-N 3.12Å; K193-D197 PolarHBondContact O-N 3.39Å
194	L	93.9	Very high	91.1	Very high	56 Å²	56	60.1 Å²	60.1	29%	0.293	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-39	178.1	-177.6	60.3	0	0	0	112.1	R190 T191 S196 D197 L198 L289	R190-L194 PolarHBondContact O-N 3.43Å; T191-L194 PolarHBondContact O-N 3.23Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.86Å; L194-D197 PolarHBondContact O-N 2.93Å; L194-L198 HydrophobicContact CD1-CD1 4.15Å; L194-L198 HydrophobicContact CD1-CG 4.15Å; L194-L198 HydrophobicContact CG-CD1 3.95Å; L194-L198 HydrophobicContact CG-CG 4.41Å; L194-L198 WeakPolarHBondContact O-CB 3.37Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.49Å; L194-L198 PolarHBondContact O-N 3.47Å; L194-L289 HydrophobicContact CB-CD1 4.29Å; L194-L289 HydrophobicContact CD2-CD1 3.58Å; L194-L289 HydrophobicContact CD2-CD2 3.93Å; L194-L289 HydrophobicContact CD2-CG 4.43Å; L194-L289 HydrophobicContact CG-CD1 3.66Å
195	I	95.4	Very high	90.7	Very high	25 Å²	25	58.8 Å²	58.8	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-44.9	173	-69	167.2	0	0	0	110.7	T191 S192 K193 S199 L286 L289 R290 V293	T191-I195 HydrophobicContact CG2-CD1 4.39Å; T191-I195 WeakPolarHBondContact O-CG1 3.29Å; T191-I195 PolarHBondContact O-N 3.38Å; S192-I195 PolarHBondContact O-N 3.23Å; K193-I195 VanDerWaalsContact C-N 3.31Å; K193-I195 PolarHBondContact O-N 3.3Å; I195-S199 VanDerWaalsContact O-CB 3.29Å; I195-S199 WeakPolarHBondContact O-CB 3.35Å; I195-S199 PolarHBondContact O-N 3.12Å; I195-S199 PolarHBondContact O-OG 3.31Å; I195-L286 HydrophobicContact CB-CD2 4.28Å; I195-L286 HydrophobicContact CG2-CD2 3.92Å; I195-L286 WeakPolarHBondContact O-CD2 3.41Å; I195-L289 HydrophobicContact CD1-CB 3.9Å; I195-L289 HydrophobicContact CG1-CB 3.57Å; I195-L289 HydrophobicContact CG1-CD1 4.18Å; I195-R290 HydrophobicContact CD1-CG 4.02Å; I195-R290 HydrophobicContact CG2-CG 4.47Å; I195-V293 HydrophobicContact CD1-CG2 3.9Å
196	S	89.1	Confident	90.4	Very high	62 Å²	62	58.9 Å²	58.9	43%	0.434	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-49.6	177.7	-169.9	0	0	0	0	111.6	S192 K193 L194 L198 S199 I200	S192-S196 PolarHBondContact O-N 3.25Å; K193-S196 WeakPolarHBondContact O-CB 3.46Å; K193-S196 PolarHBondContact O-N 2.73Å; K193-S196 VanDerWaalsContact O-N 3.12Å; L194-S196 VanDerWaalsContact C-N 3.31Å; L194-S196 PolarHBondContact O-N 2.86Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-L198 PolarHBondContact O-N 2.93Å; S196-S199 PolarHBondContact O-N 2.97Å; S196-I200 WeakPolarHBondContact O-CG1 3.38Å; S196-I200 PolarHBondContact O-N 2.99Å
197	D	85.3	Confident	89.7	Confident	81 Å²	81	58.7 Å²	58.7	43%	0.433	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-45.1	-179	-65.9	-22	0	0	0	111	K193 L194 I200 E201	K193-D197 PolarHBondContact O-N 3.39Å; L194-D197 PolarHBondContact O-N 2.93Å; D197-I200 PolarHBondContact O-N 2.71Å; D197-E201 WeakPolarHBondContact O-CB 3.46Å; D197-E201 PolarHBondContact O-N 3.36Å
198	L	95.7	Very high	89.1	Confident	21 Å²	21	62 Å²	62	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-36.7	177.1	-74.7	172.4	0	0	0	112.8	L194 S196 E201 F202 I282 Q285 L286 L289	L194-L198 HydrophobicContact CD1-CD1 4.15Å; L194-L198 HydrophobicContact CD1-CG 4.15Å; L194-L198 HydrophobicContact CG-CD1 3.95Å; L194-L198 HydrophobicContact CG-CG 4.41Å; L194-L198 WeakPolarHBondContact O-CB 3.37Å; L194-L198 VanDerWaalsContact O-CG 3.29Å; L194-L198 WeakPolarHBondContact O-CG 3.49Å; L194-L198 PolarHBondContact O-N 3.47Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-L198 PolarHBondContact O-N 2.93Å; L198-E201 PolarHBondContact O-N 3.18Å; L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 3.09Å; L198-I282 HydrophobicContact CB-CG2 4.06Å; L198-I282 HydrophobicContact CD2-CG1 4.23Å; L198-I282 HydrophobicContact CD2-CG2 4.14Å; L198-I282 WeakPolarHBondContact O-CG2 3.4Å; L198-Q285 HydrophobicContact CD1-CB 4.26Å; L198-Q285 HydrophobicContact CD1-CG 3.84Å; L198-L286 HydrophobicContact CB-CD1 4.48Å; L198-L286 HydrophobicContact CB-CD2 3.63Å; L198-L286 HydrophobicContact CB-CG 3.97Å; L198-L286 HydrophobicContact CD1-CD2 4.28Å; L198-L286 HydrophobicContact CD1-CG 4.44Å; L198-L289 HydrophobicContact CD1-CD1 3.59Å
199	S	93	Very high	88.7	Confident	16 Å²	16	63 Å²	63	11%	0.112	31%	0.309	C	S	.	.	H	α-helix	trans	-67.4	-40.3	177.8	-61.5	0	0	0	0	111.5	I195 S196 N203 A629	I195-S199 VanDerWaalsContact O-CB 3.29Å; I195-S199 WeakPolarHBondContact O-CB 3.35Å; I195-S199 PolarHBondContact O-N 3.12Å; I195-S199 PolarHBondContact O-OG 3.31Å; S196-S199 PolarHBondContact O-N 2.97Å; S199-N203 PolarHBondContact O-N 2.84Å; S199-N203 PolarHBondContact O-ND2 3.31Å; S199-A629 WeakPolarHBondContact CB-O 3.37Å
200	I	83.8	Confident	88.7	Confident	104 Å²	104	63.2 Å²	63.2	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-48.3	173.4	-68.6	165.5	0	0	0	109.8	S196 D197 F202 N203 R204	S196-I200 WeakPolarHBondContact O-CG1 3.38Å; S196-I200 PolarHBondContact O-N 2.99Å; D197-I200 PolarHBondContact O-N 2.71Å; I200-F202 PolarHBondContact O-N 3.42Å; I200-N203 PolarHBondContact O-N 2.98Å; I200-R204 VanDerWaalsContact O-CB 3.29Å; I200-R204 WeakPolarHBondContact O-CB 3.29Å; I200-R204 PolarHBondContact O-N 3.14Å
201	E	89.7	Confident	88.8	Confident	58 Å²	58	59.5 Å²	59.5	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-61.7	-43	-179.5	-176.7	62.9	-174.5	0	0	112.5	D197 L198 N203 R204 N205 I282	D197-E201 WeakPolarHBondContact O-CB 3.46Å; D197-E201 PolarHBondContact O-N 3.36Å; L198-E201 PolarHBondContact O-N 3.18Å; E201-N203 VanDerWaalsContact C-N 3.33Å; E201-N203 PolarHBondContact O-N 3.31Å; E201-R204 PolarHBondContact O-N 3.02Å; E201-R204 IonicContact OE1-CZ 3.59Å; E201-R204 IonicContact OE1-NH2 3.94Å; E201-R204 PolarHBondContact OE1-NH2 2.86Å; E201-R204 IonicContact OE2-CZ 3.34Å; E201-R204 VanDerWaalsContact OE2-CZ 3.25Å; E201-R204 IonicContact OE2-NE 3.45Å; E201-R204 PolarHBondContact OE2-NE 2.75Å; E201-R204 IonicContact OE2-NH2 3.93Å; E201-R204 PolarHBondContact OE2-NH2 3.2Å; E201-N205 WeakPolarHBondContact O-CB 3.34Å; E201-N205 PolarHBondContact O-N 3.4Å; E201-N205 PolarHBondContact O-ND2 2.72Å; E201-N205 PolarHBondContact OE1-OD1 2.72Å; E201-I282 HydrophobicContact CB-CD1 4.3Å; E201-I282 HydrophobicContact CG-CD1 3.7Å
202	F	95.2	Very high	88.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-54.6	-48.8	176	-175.2	-83	0	0	0	112	L198 I200 L206 N279 I282 L283 A623 A629	L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 3.09Å; I200-F202 PolarHBondContact O-N 3.42Å; F202-L206 HydrophobicContact CD1-CD1 3.98Å; F202-L206 HydrophobicContact CE1-CD1 3.54Å; F202-L206 HydrophobicContact CZ-CD1 4.34Å; F202-L206 PolarHBondContact O-N 2.73Å; F202-N279 HydrophobicContact CD2-CB 3.75Å; F202-N279 HydrophobicContact CE2-CB 3.58Å; F202-N279 HydrophobicContact CZ-CB 4.34Å; F202-N279 PolarHBondContact O-ND2 3.41Å; F202-I282 HydrophobicContact CB-CG2 3.93Å; F202-I282 HydrophobicContact CD2-CB 4.4Å; F202-I282 HydrophobicContact CD2-CG2 4.03Å; F202-I282 HydrophobicContact CG-CG2 4.49Å; F202-L283 HydrophobicContact CE2-CB 4.08Å; F202-A623 WeakPolarHBondContact CZ-O 3.29Å; F202-A629 HydrophobicContact CB-CB 3.9Å; F202-A629 HydrophobicContact CD1-CB 3.56Å; F202-A629 HydrophobicContact CE1-CB 4.22Å; F202-A629 HydrophobicContact CG-CB 3.76Å
203	N	85.4	Confident	89.2	Confident	36 Å²	36	63.8 Å²	63.8	19%	0.193	32%	0.323	C	S	.	.	H	α-helix	trans	-72.7	-39	-179.2	-71.5	-62.1	0	0	0	111.8	S199 I200 E201 N205 L206 N207 S626 A629	S199-N203 PolarHBondContact O-N 2.84Å; S199-N203 PolarHBondContact O-ND2 3.31Å; I200-N203 PolarHBondContact O-N 2.98Å; E201-N203 VanDerWaalsContact C-N 3.33Å; E201-N203 PolarHBondContact O-N 3.31Å; N203-N205 VanDerWaalsContact C-N 3.33Å; N203-N205 PolarHBondContact O-N 2.89Å; N203-L206 PolarHBondContact O-N 2.74Å; N203-N207 WeakPolarHBondContact O-CB 3.35Å; N203-N207 PolarHBondContact O-N 3.2Å; N203-N207 PolarHBondContact O-ND2 3.4Å; N203-S626 WeakPolarHBondContact OD1-CB 3.41Å; N203-A629 PolarHBondContact ND2-O 2.9Å
204	R	80.7	Confident	89.7	Confident	93 Å²	93	59.8 Å²	59.8	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-46.3	175.8	-172.4	-178.9	73.1	77.4	4.6	111.2	I200 E201 L206 N207 E208	I200-R204 VanDerWaalsContact O-CB 3.29Å; I200-R204 WeakPolarHBondContact O-CB 3.29Å; I200-R204 PolarHBondContact O-N 3.14Å; E201-R204 PolarHBondContact O-N 3.02Å; E201-R204 IonicContact OE1-CZ 3.59Å; E201-R204 IonicContact OE1-NH2 3.94Å; E201-R204 PolarHBondContact OE1-NH2 2.86Å; E201-R204 IonicContact OE2-CZ 3.34Å; E201-R204 VanDerWaalsContact OE2-CZ 3.25Å; E201-R204 IonicContact OE2-NE 3.45Å; E201-R204 PolarHBondContact OE2-NE 2.75Å; E201-R204 IonicContact OE2-NH2 3.93Å; E201-R204 PolarHBondContact OE2-NH2 3.2Å; R204-L206 VanDerWaalsContact C-N 3.27Å; R204-L206 PolarHBondContact O-N 2.85Å; R204-N207 PolarHBondContact O-N 3.34Å; R204-E208 WeakPolarHBondContact CD-OE1 3.25Å; R204-E208 HydrophobicContact CG-CG 4.31Å; R204-E208 WeakPolarHBondContact CG-OE1 3.09Å; R204-E208 IonicContact CZ-OE1 3.69Å; R204-E208 IonicContact CZ-OE2 3.66Å; R204-E208 IonicContact NH1-OE1 3.72Å; R204-E208 PolarHBondContact NH1-OE1 3.46Å; R204-E208 IonicContact NH1-OE2 2.79Å; R204-E208 PolarHBondContact NH1-OE2 2.93Å; R204-E208 WeakPolarHBondContact O-CB 3.36Å; R204-E208 WeakPolarHBondContact O-CG 3.3Å; R204-E208 PolarHBondContact O-N 2.87Å
205	N	88.3	Confident	89.8	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-56.5	-41.4	177	-70.4	-24.2	0	0	0	112.4	E201 N203 D209 C275 V278 N279	E201-N205 WeakPolarHBondContact O-CB 3.34Å; E201-N205 PolarHBondContact O-N 3.4Å; E201-N205 PolarHBondContact O-ND2 2.72Å; E201-N205 PolarHBondContact OE1-OD1 2.72Å; N203-N205 VanDerWaalsContact C-N 3.33Å; N203-N205 PolarHBondContact O-N 2.89Å; N205-D209 PolarHBondContact O-N 2.88Å; N205-C275 HydrophobicContact CB-CB 4.33Å; N205-C275 PolarHBondContact O-SG 3.38Å; N205-V278 WeakPolarHBondContact ND2-CG1 3.45Å; N205-N279 WeakPolarHBondContact CB-OD1 3.22Å; N205-N279 PolarHBondContact ND2-OD1 2.63Å
206	L	84.6	Confident	89.7	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-71.6	-41.3	178.2	-67	170.9	0	0	0	112.3	F202 N203 R204 E208 D209 R274 C275 N279	F202-L206 HydrophobicContact CD1-CD1 3.98Å; F202-L206 HydrophobicContact CE1-CD1 3.54Å; F202-L206 HydrophobicContact CZ-CD1 4.34Å; F202-L206 PolarHBondContact O-N 2.73Å; N203-L206 PolarHBondContact O-N 2.74Å; R204-L206 VanDerWaalsContact C-N 3.27Å; R204-L206 PolarHBondContact O-N 2.85Å; L206-E208 VanDerWaalsContact C-N 3.29Å; L206-E208 PolarHBondContact O-N 2.83Å; L206-D209 WeakPolarHBondContact O-CB 3.39Å; L206-D209 PolarHBondContact O-N 2.81Å; L206-R274 HydrophobicContact CD2-CB 4.28Å; L206-C275 HydrophobicContact CD2-CB 4.12Å; L206-N279 WeakPolarHBondContact CG-ND2 3.27Å
207	N	78.8	Confident	89.7	Confident	132 Å²	132	59.7 Å²	59.7	71%	0.706	31%	0.305	S	S	*	.	H	α-helix	trans	-68.8	-29.3	-179.8	-68	-21.6	0	0	0	112.5	N203 R204	N203-N207 WeakPolarHBondContact O-CB 3.35Å; N203-N207 PolarHBondContact O-N 3.2Å; N203-N207 PolarHBondContact O-ND2 3.4Å; R204-N207 PolarHBondContact O-N 3.34Å
208	E	82.1	Confident	89.9	Confident	118 Å²	118	63.7 Å²	63.7	55%	0.551	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.5	177	-67.4	178.8	-167.3	0	0	113	R204 L206 N210	R204-E208 WeakPolarHBondContact CD-OE1 3.25Å; R204-E208 HydrophobicContact CG-CG 4.31Å; R204-E208 WeakPolarHBondContact CG-OE1 3.09Å; R204-E208 IonicContact CZ-OE1 3.69Å; R204-E208 IonicContact CZ-OE2 3.66Å; R204-E208 IonicContact NH1-OE1 3.72Å; R204-E208 PolarHBondContact NH1-OE1 3.46Å; R204-E208 IonicContact NH1-OE2 2.79Å; R204-E208 PolarHBondContact NH1-OE2 2.93Å; R204-E208 WeakPolarHBondContact O-CB 3.36Å; R204-E208 WeakPolarHBondContact O-CG 3.3Å; R204-E208 PolarHBondContact O-N 2.87Å; L206-E208 VanDerWaalsContact C-N 3.29Å; L206-E208 PolarHBondContact O-N 2.83Å; E208-N210 PolarHBondContact O-N 3.41Å; E208-N210 VanDerWaalsContact O-N 3.14Å
209	D	85.3	Confident	89.8	Confident	27 Å²	27	64.9 Å²	64.9	14%	0.144	33%	0.326	C	S	.	.			trans	-62.9	116	175.5	-179	-114.1	0	0	0	110	N205 L206 T211 R274	N205-D209 PolarHBondContact O-N 2.88Å; L206-D209 WeakPolarHBondContact O-CB 3.39Å; L206-D209 PolarHBondContact O-N 2.81Å; D209-T211 WeakPolarHBondContact OD1-CB 3.36Å; D209-T211 WeakPolarHBondContact OD2-CB 3.2Å; D209-T211 PolarHBondContact OD2-OG1 2.89Å; D209-R274 VanDerWaalsContact OD1-CD 3.29Å; D209-R274 WeakPolarHBondContact OD1-CD 3.29Å; D209-R274 WeakPolarHBondContact OD1-CG 3.45Å
210	N	89.8	Confident	89.6	Confident	137 Å²	137	64.2 Å²	64.2	73%	0.733	32%	0.321	S	S	*	.			trans	-109.6	21.1	178.7	64.5	5.8	0	0	0	111.7	E208 F212	E208-N210 PolarHBondContact O-N 3.41Å; E208-N210 VanDerWaalsContact O-N 3.14Å; N210-F212 WeakPolarHBondContact O-CD1 3.23Å; N210-F212 PolarHBondContact O-N 2.83Å
211	T	95	Very high	89.1	Confident	53 Å²	53	60.8 Å²	60.8	33%	0.325	31%	0.309	S	S	.	.			trans	-59.6	132.9	-176.9	-63.1	0	0	0	0	110.3	D209 L246	D209-T211 WeakPolarHBondContact OD1-CB 3.36Å; D209-T211 WeakPolarHBondContact OD2-CB 3.2Å; D209-T211 PolarHBondContact OD2-OG1 2.89Å; T211-L246 HydrophobicContact CG2-CD1 3.56Å; T211-L246 HydrophobicContact CG2-CG 4.15Å; T211-L246 PolarHBondContact O-N 3.46Å
212	F	96.8	Very high	87.9	Confident	91 Å²	91	59.5 Å²	59.5	40%	0.399	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.3	174	64.4	-93.2	0	0	0	110.4	N210 V214 K243 V244 T245	N210-F212 WeakPolarHBondContact O-CD1 3.23Å; N210-F212 PolarHBondContact O-N 2.83Å; F212-V214 HydrophobicContact CD2-CG2 4.02Å; F212-V214 HydrophobicContact CE2-CG2 3.88Å; F212-K243 HydrophobicContact CB-CD 4.45Å; F212-K243 HydrophobicContact CB-CG 3.84Å; F212-K243 HydrophobicContact CD1-CD 4.26Å; F212-K243 VanDerWaalsContact CD1-CE 3.45Å; F212-K243 HydrophobicContact CD1-CG 4.49Å; F212-K243 HydrophobicContact CD2-CD 3.9Å; F212-K243 HydrophobicContact CD2-CG 3.55Å; F212-K243 HydrophobicContact CE1-CD 4.49Å; F212-K243 HydrophobicContact CE2-CD 4.14Å; F212-K243 HydrophobicContact CE2-CG 4.19Å; F212-K243 HydrophobicContact CG-CD 3.95Å; F212-K243 HydrophobicContact CG-CG 3.71Å; F212-K243 HydrophobicContact CZ-CD 4.43Å; F212-V244 CarbonylContact C-O 3.32Å; F212-V244 VanDerWaalsContact CA-O 3.3Å; F212-V244 WeakPolarHBondContact CA-O 3.32Å; F212-V244 WeakPolarHBondContact CB-O 3.43Å; F212-T245 HydrophobicContact CB-CG2 4.28Å
213	L	98	Very high	86	Confident	45 Å²	45	68.2 Å²	68.2	24%	0.236	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.3	171.1	-61	-175.8	0	0	0	109.5	F215 V244 K266 M267 A270	L213-F215 HydrophobicContact CB-CD2 4.32Å; L213-F215 HydrophobicContact CB-CE2 3.48Å; L213-F215 VanDerWaalsContact CB-CE2 3.48Å; L213-F215 HydrophobicContact CB-CZ 3.71Å; L213-F215 HydrophobicContact CD1-CE2 4.3Å; L213-F215 HydrophobicContact CD1-CZ 3.84Å; L213-F215 HydrophobicContact CG-CZ 4.45Å; L213-V244 PolarHBondContact N-O 3.19Å; L213-V244 PolarHBondContact O-N 3.23Å; L213-K266 HydrophobicContact CD1-CB 4.04Å; L213-M267 HydrophobicContact CB-SD 4.21Å; L213-M267 HydrophobicContact CD1-CG 4.45Å; L213-M267 HydrophobicContact CD1-SD 3.77Å; L213-M267 HydrophobicContact CG-SD 4.26Å; L213-A270 HydrophobicContact CD1-CB 4Å; L213-A270 HydrophobicContact CG-CB 4.44Å
214	V	97.6	Very high	84.8	Confident	58 Å²	58	69.3 Å²	69.3	35%	0.352	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.2	-179.6	-179.8	0	0	0	0	109	F212 T237 K241 Y242	F212-V214 HydrophobicContact CD2-CG2 4.02Å; F212-V214 HydrophobicContact CE2-CG2 3.88Å; V214-T237 HydrophobicContact CG1-CG2 3.83Å; V214-T237 HydrophobicContact CG2-CG2 3.97Å; V214-K241 HydrophobicContact CG1-CB 3.38Å; V214-K241 HydrophobicContact CG1-CD 3.71Å; V214-K241 HydrophobicContact CG1-CG 4.19Å; V214-Y242 WeakPolarHBondContact CA-O 3.25Å
215	F	96	Very high	84.1	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.009	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.8	-179.4	-61.3	-76.5	0	0	0	111.3	L213 E219 L220 K241 Y242 V244 T263 K266 M267	L213-F215 HydrophobicContact CB-CD2 4.32Å; L213-F215 HydrophobicContact CB-CE2 3.48Å; L213-F215 VanDerWaalsContact CB-CE2 3.48Å; L213-F215 HydrophobicContact CB-CZ 3.71Å; L213-F215 HydrophobicContact CD1-CE2 4.3Å; L213-F215 HydrophobicContact CD1-CZ 3.84Å; L213-F215 HydrophobicContact CG-CZ 4.45Å; F215-E219 HydrophobicContact CB-CB 4.06Å; F215-E219 HydrophobicContact CD1-CB 4.15Å; F215-L220 HydrophobicContact CB-CD1 4.09Å; F215-L220 HydrophobicContact CB-CD2 3.8Å; F215-L220 HydrophobicContact CB-CG 3.69Å; F215-L220 HydrophobicContact CD2-CD2 3.96Å; F215-L220 HydrophobicContact CG-CD2 3.95Å; F215-L220 HydrophobicContact CG-CG 4.4Å; F215-K241 WeakPolarHBondContact O-CB 3.27Å; F215-Y242 PolarHBondContact N-O 3.49Å; F215-Y242 PolarHBondContact O-N 2.84Å; F215-V244 HydrophobicContact CD2-CB 4.13Å; F215-V244 HydrophobicContact CD2-CG2 3.78Å; F215-V244 HydrophobicContact CE2-CB 4.21Å; F215-V244 HydrophobicContact CE2-CG2 4.31Å; F215-T263 HydrophobicContact CD1-CG2 3.95Å; F215-T263 HydrophobicContact CE1-CG2 3.76Å; F215-T263 HydrophobicContact CE2-CG2 4.37Å; F215-T263 HydrophobicContact CG-CG2 4.35Å; F215-T263 HydrophobicContact CZ-CG2 3.98Å; F215-K266 HydrophobicContact CE1-CB 4.46Å; F215-K266 HydrophobicContact CE1-CD 4.03Å; F215-K266 HydrophobicContact CZ-CB 4.38Å; F215-M267 HydrophobicContact CE2-CG 3.97Å; F215-M267 HydrophobicContact CE2-SD 3.59Å; F215-M267 VanDerWaalsContact CE2-SD 3.59Å; F215-M267 HydrophobicContact CZ-CG 3.87Å; F215-M267 HydrophobicContact CZ-SD 3.93Å
216	S	93.8	Very high	83.8	Confident	32 Å²	32	65 Å²	65	22%	0.224	36%	0.36	C	S	.	.			trans	-70.9	164.1	166.3	61.9	0	0	0	0	111.6	Q218 E219 L220	S216-Q218 VanDerWaalsContact C-N 3.26Å; S216-Q218 PolarHBondContact O-N 3.03Å; S216-E219 WeakPolarHBondContact CB-OE2 3.24Å; S216-E219 PolarHBondContact N-OE2 3.19Å; S216-E219 PolarHBondContact O-N 2.99Å; S216-E219 VanDerWaalsContact OG-CG 3.31Å; S216-E219 WeakPolarHBondContact OG-CG 3.34Å; S216-E219 PolarHBondContact OG-N 2.84Å; S216-E219 PolarHBondContact OG-OE2 2.83Å; S216-L220 PolarHBondContact O-N 2.71Å
217	E	89.8	Confident	83.5	Confident	106 Å²	106	66.3 Å²	66.3	50%	0.495	37%	0.373	S	S	.	.	H	α-helix	trans	-57.7	-41.3	172.6	-163.8	157.4	137.8	0	0	111.9	E219 L220 A221 Y242	E217-E219 VanDerWaalsContact C-N 3.27Å; E217-E219 PolarHBondContact O-N 2.78Å; E217-L220 PolarHBondContact O-N 2.74Å; E217-L220 VanDerWaalsContact O-N 3.12Å; E217-A221 HydrophobicContact CG-CB 3.87Å; E217-A221 WeakPolarHBondContact O-CA 3.22Å; E217-A221 VanDerWaalsContact O-CB 3.23Å; E217-A221 WeakPolarHBondContact O-CB 3.4Å; E217-A221 PolarHBondContact O-N 2.88Å; E217-Y242 HydrophobicContact CB-CE2 3.78Å; E217-Y242 HydrophobicContact CG-CE2 4.04Å; E217-Y242 PolarHBondContact OE2-OH 2.67Å
218	Q	89.7	Confident	83.5	Confident	165 Å²	165	66.9 Å²	66.9	77%	0.771	37%	0.371	S	S	*	.	H	α-helix	trans	-62.5	-34.7	179	-169.7	177.5	11	0	0	112.4	S216 L220 G222	S216-Q218 VanDerWaalsContact C-N 3.26Å; S216-Q218 PolarHBondContact O-N 3.03Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; Q218-G222 PolarHBondContact O-N 2.7Å
219	E	92.5	Very high	83.2	Confident	47 Å²	47	65.9 Å²	65.9	22%	0.22	38%	0.378	C	S	.	.	H	α-helix	trans	-71.2	-25.1	177.1	-76.3	168.5	116.6	0	0	113.3	F215 S216 E217 T263 K266	F215-E219 HydrophobicContact CB-CB 4.06Å; F215-E219 HydrophobicContact CD1-CB 4.15Å; S216-E219 WeakPolarHBondContact CB-OE2 3.24Å; S216-E219 PolarHBondContact N-OE2 3.19Å; S216-E219 PolarHBondContact O-N 2.99Å; S216-E219 VanDerWaalsContact OG-CG 3.31Å; S216-E219 WeakPolarHBondContact OG-CG 3.34Å; S216-E219 PolarHBondContact OG-N 2.84Å; S216-E219 PolarHBondContact OG-OE2 2.83Å; E217-E219 VanDerWaalsContact C-N 3.27Å; E217-E219 PolarHBondContact O-N 2.78Å; E219-T263 PolarHBondContact O-OG1 2.75Å; E219-K266 IonicContact OE1-NZ 2.72Å
220	L	89.4	Confident	83.2	Confident	2 Å²	2	66 Å²	66	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-102.7	-41.7	-178.2	-65	-176.2	0	0	0	114.1	F215 S216 E217 Q218 L226 L231 L234 Y242 V244 L254 T263	F215-L220 HydrophobicContact CB-CD1 4.09Å; F215-L220 HydrophobicContact CB-CD2 3.8Å; F215-L220 HydrophobicContact CB-CG 3.69Å; F215-L220 HydrophobicContact CD2-CD2 3.96Å; F215-L220 HydrophobicContact CG-CD2 3.95Å; F215-L220 HydrophobicContact CG-CG 4.4Å; S216-L220 PolarHBondContact O-N 2.71Å; E217-L220 PolarHBondContact O-N 2.74Å; E217-L220 VanDerWaalsContact O-N 3.12Å; Q218-L220 VanDerWaalsContact C-N 3.33Å; L220-L226 HydrophobicContact CB-CD1 4.21Å; L220-L226 HydrophobicContact CD2-CD1 4.13Å; L220-L226 PolarHBondContact O-N 2.81Å; L220-L226 VanDerWaalsContact O-N 3.08Å; L220-L231 HydrophobicContact CB-CD2 3.8Å; L220-L231 HydrophobicContact CD1-CD2 3.8Å; L220-L231 HydrophobicContact CG-CD2 4.47Å; L220-L234 HydrophobicContact CD1-CD1 3.95Å; L220-Y242 HydrophobicContact CD1-CD2 3.96Å; L220-Y242 HydrophobicContact CD1-CG 3.91Å; L220-V244 HydrophobicContact CD1-CG2 4.08Å; L220-V244 HydrophobicContact CD2-CG2 4.32Å; L220-L254 HydrophobicContact CD2-CD1 3.93Å; L220-T263 HydrophobicContact CD2-CG2 3.98Å
221	A	72.9	Confident	83	Confident	32 Å²	32	60 Å²	60	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-112.7	-1	-164.4	0	0	0	0	0	114.2	E217 L231	E217-A221 HydrophobicContact CG-CB 3.87Å; E217-A221 WeakPolarHBondContact O-CA 3.22Å; E217-A221 VanDerWaalsContact O-CB 3.23Å; E217-A221 WeakPolarHBondContact O-CB 3.4Å; E217-A221 PolarHBondContact O-N 2.88Å; A221-L231 HydrophobicContact CB-CD1 3.66Å
222	G	64.6	Low	82.4	Confident	31 Å²	31	62.4 Å²	62.4	32%	0.32	36%	0.355	S	S	.	.	S	Bend	trans	-49.1	158.8	177	0	0	0	0	0	112.9	Q218 G224 G225	Q218-G222 PolarHBondContact O-N 2.7Å; G222-G224 PolarHBondContact O-N 2.86Å; G222-G225 WeakPolarHBondContact O-CA 3.27Å; G222-G225 PolarHBondContact O-N 2.84Å
223	E	55.2	Low	81.7	Confident	182 Å²	182	60.8 Å²	60.8	85%	0.85	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.6	106.1	-164.8	-67	-174.7	177.7	0	0	115.6	K351	E223-K351 PolarHBondContact O-NZ 2.89Å
224	G	59.6	Low	81.2	Confident	60 Å²	60	59.3 Å²	59.3	62%	0.619	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	5.7	-179.6	0	0	0	0	0	115.7	G222 H259	G222-G224 PolarHBondContact O-N 2.86Å; G224-H259 PolarHBondContact O-CD2 2.86Å; G224-H259 PolarHBondContact O-NE2 3.11Å
225	G	67.4	Low	80.9	Confident	19 Å²	19	62.5 Å²	62.5	20%	0.196	37%	0.367	C	S	.	.			trans	-68.6	-151.8	-173.4	0	0	0	0	0	116.4	G222	G222-G225 WeakPolarHBondContact O-CA 3.27Å; G222-G225 PolarHBondContact O-N 2.84Å
226	L	81.6	Confident	80.7	Confident	9 Å²	9	68.7 Å²	68.7	5%	0.047	39%	0.391	C	S	.	.	S	Bend	trans	-65.6	138.8	-177.5	-72.8	157	0	0	0	111.7	L220 Y230 L231 L254 R257 C258	L220-L226 HydrophobicContact CB-CD1 4.21Å; L220-L226 HydrophobicContact CD2-CD1 4.13Å; L220-L226 PolarHBondContact O-N 2.81Å; L220-L226 VanDerWaalsContact O-N 3.08Å; L226-Y230 HydrophobicContact CB-CD1 3.91Å; L226-Y230 HydrophobicContact CB-CG 4.44Å; L226-Y230 HydrophobicContact CD1-CD1 3.8Å; L226-Y230 HydrophobicContact CD1-CE1 3.55Å; L226-Y230 HydrophobicContact CD2-CD1 3.91Å; L226-Y230 HydrophobicContact CD2-CD2 4.4Å; L226-Y230 HydrophobicContact CD2-CE1 4.11Å; L226-Y230 HydrophobicContact CD2-CG 4.06Å; L226-Y230 HydrophobicContact CG-CD1 4.08Å; L226-Y230 HydrophobicContact CG-CE1 4.27Å; L226-L231 HydrophobicContact CB-CD2 4.45Å; L226-L254 HydrophobicContact CD1-CB 4.33Å; L226-L254 HydrophobicContact CD1-CD1 4.47Å; L226-L254 HydrophobicContact CD1-CG 4.15Å; L226-R257 HydrophobicContact CD2-CB 3.95Å; L226-C258 HydrophobicContact CD1-CB 4.32Å
227	A	78.6	Confident	80.7	Confident	44 Å²	44	68.8 Å²	68.8	36%	0.364	39%	0.39	S	S	.	.			trans	-62.1	150.1	179.2	0	0	0	0	0	111.8	S229 Y230 L231	A227-S229 PolarHBondContact O-N 3.23Å; A227-S229 VanDerWaalsContact O-N 3.14Å; A227-Y230 WeakPolarHBondContact O-CB 3.23Å; A227-Y230 PolarHBondContact O-N 3.33Å; A227-L231 PolarHBondContact O-N 3Å
228	E	78.3	Confident	80.7	Confident	144 Å²	144	68.8 Å²	68.8	67%	0.673	41%	0.408	S	S	*	.	H	α-helix	trans	-55.1	-35.5	178.7	-161.9	-169.8	159.5	0	0	112.2	Y230 L231 N232	E228-Y230 VanDerWaalsContact C-N 3.25Å; E228-Y230 PolarHBondContact O-N 2.76Å; E228-L231 PolarHBondContact O-N 2.74Å; E228-N232 WeakPolarHBondContact O-CB 3.14Å; E228-N232 VanDerWaalsContact O-CG 3.26Å; E228-N232 PolarHBondContact O-N 2.82Å; E228-N232 PolarHBondContact O-ND2 2.8Å
229	S	76.6	Confident	80.8	Confident	97 Å²	97	68 Å²	68	68%	0.678	40%	0.404	S	S	*	.	H	α-helix	trans	-60.6	-31.9	175.7	62.6	0	0	0	0	113.6	A227	A227-S229 PolarHBondContact O-N 3.23Å; A227-S229 VanDerWaalsContact O-N 3.14Å
230	Y	83.3	Confident	80.6	Confident	31 Å²	31	67.6 Å²	67.6	12%	0.122	41%	0.413	C	S	.	.	H	α-helix	trans	-73.2	-47.2	174.3	176.5	-89	0	0	0	110.2	L226 A227 E228 N232 G233 L234 H250 P253	L226-Y230 HydrophobicContact CB-CD1 3.91Å; L226-Y230 HydrophobicContact CB-CG 4.44Å; L226-Y230 HydrophobicContact CD1-CD1 3.8Å; L226-Y230 HydrophobicContact CD1-CE1 3.55Å; L226-Y230 HydrophobicContact CD2-CD1 3.91Å; L226-Y230 HydrophobicContact CD2-CD2 4.4Å; L226-Y230 HydrophobicContact CD2-CE1 4.11Å; L226-Y230 HydrophobicContact CD2-CG 4.06Å; L226-Y230 HydrophobicContact CG-CD1 4.08Å; L226-Y230 HydrophobicContact CG-CE1 4.27Å; A227-Y230 WeakPolarHBondContact O-CB 3.23Å; A227-Y230 PolarHBondContact O-N 3.33Å; E228-Y230 VanDerWaalsContact C-N 3.25Å; E228-Y230 PolarHBondContact O-N 2.76Å; Y230-N232 VanDerWaalsContact C-N 3.32Å; Y230-N232 PolarHBondContact O-N 2.82Å; Y230-G233 PolarHBondContact O-N 3.03Å; Y230-L234 HydrophobicContact CD1-CD1 4.18Å; Y230-L234 HydrophobicContact CE1-CD1 3.76Å; Y230-L234 HydrophobicContact CE1-CD2 4.26Å; Y230-L234 HydrophobicContact CE1-CG 4.27Å; Y230-H250 PolarHBondContact OH-O 3.49Å; Y230-P253 HydrophobicContact CD2-CB 3.96Å; Y230-P253 HydrophobicContact CE2-CB 3.74Å; Y230-P253 HydrophobicContact CE2-CG 4.19Å
231	L	86.3	Confident	80.9	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.047	43%	0.432	C	S	.	.	H	α-helix	trans	-61.4	-40.5	-179.6	-58.9	174.5	0	0	0	112.3	L220 A221 L226 A227 E228 G233 L234 Y242	L220-L231 HydrophobicContact CB-CD2 3.8Å; L220-L231 HydrophobicContact CD1-CD2 3.8Å; L220-L231 HydrophobicContact CG-CD2 4.47Å; A221-L231 HydrophobicContact CB-CD1 3.66Å; L226-L231 HydrophobicContact CB-CD2 4.45Å; A227-L231 PolarHBondContact O-N 3Å; E228-L231 PolarHBondContact O-N 2.74Å; L231-G233 PolarHBondContact O-N 2.97Å; L231-L234 HydrophobicContact CD2-CD1 4.47Å; L231-L234 WeakPolarHBondContact O-CB 3.17Å; L231-L234 PolarHBondContact O-N 2.98Å; L231-L234 VanDerWaalsContact O-N 3.1Å; L231-Y242 HydrophobicContact CB-CE1 3.91Å
232	N	83.4	Confident	81.9	Confident	104 Å²	104	70.8 Å²	70.8	56%	0.556	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.8	177.2	-71.4	-19.3	0	0	0	113.1	E228 Y230 L234	E228-N232 WeakPolarHBondContact O-CB 3.14Å; E228-N232 VanDerWaalsContact O-CG 3.26Å; E228-N232 PolarHBondContact O-N 2.82Å; E228-N232 PolarHBondContact O-ND2 2.8Å; Y230-N232 VanDerWaalsContact C-N 3.32Å; Y230-N232 PolarHBondContact O-N 2.82Å; N232-L234 VanDerWaalsContact C-N 3.35Å
233	G	81.1	Confident	83.4	Confident	58 Å²	58	71.9 Å²	71.9	60%	0.598	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.3	173.5	0	0	0	0	0	114.2	Y230 L231	Y230-G233 PolarHBondContact O-N 3.03Å; L231-G233 PolarHBondContact O-N 2.97Å
234	L	88.3	Confident	85.3	Confident	13 Å²	13	63.2 Å²	63.2	7%	0.068	38%	0.376	C	S	.	.	S	Bend	trans	-92.4	143.8	-177.5	-59.3	175.9	0	0	0	111.8	L220 Y230 L231 N232 Y242 V244	L220-L234 HydrophobicContact CD1-CD1 3.95Å; Y230-L234 HydrophobicContact CD1-CD1 4.18Å; Y230-L234 HydrophobicContact CE1-CD1 3.76Å; Y230-L234 HydrophobicContact CE1-CD2 4.26Å; Y230-L234 HydrophobicContact CE1-CG 4.27Å; L231-L234 HydrophobicContact CD2-CD1 4.47Å; L231-L234 WeakPolarHBondContact O-CB 3.17Å; L231-L234 PolarHBondContact O-N 2.98Å; L231-L234 VanDerWaalsContact O-N 3.1Å; N232-L234 VanDerWaalsContact C-N 3.35Å; L234-Y242 HydrophobicContact CB-CD1 4.11Å; L234-Y242 HydrophobicContact CD1-CD1 4.16Å; L234-Y242 HydrophobicContact CD1-CG 4.3Å; L234-V244 HydrophobicContact CD1-CG2 3.85Å; L234-V244 HydrophobicContact CD2-CG2 4.46Å
235	E	90.6	Very high	86.9	Confident	125 Å²	125	61.9 Å²	61.9	58%	0.584	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	146.4	167.1	-67.7	179.8	170.3	0	0	110.6	K243	E235-K243 HydrophobicContact CB-CB 4.28Å; E235-K243 HydrophobicContact CB-CD 4.45Å; E235-K243 PolarHBondContact O-N 2.77Å; E235-K243 IonicContact OE2-NZ 3.74Å; E235-K243 PolarHBondContact OE2-NZ 2.77Å
236	R	92.1	Very high	88.1	Confident	132 Å²	132	61 Å²	61	50%	0.498	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.1	174.5	-66	-176.5	-177	-110.2	4.5	111.3	G240 K241 Y242	R236-G240 PolarHBondContact NH1-O 2.75Å; R236-K241 CarbonylContact C-O 3.37Å; R236-K241 WeakPolarHBondContact CA-O 3.19Å; R236-Y242 HydrophobicContact CG-CD1 4.36Å; R236-Y242 VanDerWaalsContact CZ-CE1 3.46Å; R236-Y242 VanDerWaalsContact CZ-OH 3.3Å; R236-Y242 PolarHBondContact NH1-OH 3.33Å; R236-Y242 PolarHBondContact NH2-OH 3.06Å
237	T	93.1	Very high	88.2	Confident	35 Å²	35	65 Å²	65	22%	0.215	37%	0.365	C	S	.	.			trans	-76.9	170	169.9	76.9	0	0	0	0	110.9	V214 E239 G240 K241	V214-T237 HydrophobicContact CG1-CG2 3.83Å; V214-T237 HydrophobicContact CG2-CG2 3.97Å; T237-E239 VanDerWaalsContact CB-OE2 3.27Å; T237-E239 WeakPolarHBondContact CB-OE2 2.85Å; T237-E239 PolarHBondContact O-N 3.12Å; T237-E239 PolarHBondContact OG1-N 3.22Å; T237-E239 PolarHBondContact OG1-OE2 3.25Å; T237-G240 PolarHBondContact O-N 3.28Å; T237-K241 PolarHBondContact N-O 3.27Å
238	A	90.6	Very high	88.4	Confident	105 Å²	105	68.8 Å²	68.8	87%	0.868	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.8	176.6	0	0	0	0	0	112.7	G240	A238-G240 VanDerWaalsContact C-N 3.27Å; A238-G240 PolarHBondContact O-N 3.16Å
239	E	90.6	Very high	88.5	Confident	149 Å²	149	66.5 Å²	66.5	70%	0.696	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	7.1	177.6	-50.6	73.1	-157	0	0	113.1	T237 K241	T237-E239 VanDerWaalsContact CB-OE2 3.27Å; T237-E239 WeakPolarHBondContact CB-OE2 2.85Å; T237-E239 PolarHBondContact O-N 3.12Å; T237-E239 PolarHBondContact OG1-N 3.22Å; T237-E239 PolarHBondContact OG1-OE2 3.25Å; E239-K241 VanDerWaalsContact C-N 3.3Å; E239-K241 PolarHBondContact O-N 3.26Å
240	G	90.2	Very high	88.9	Confident	38 Å²	38	63.8 Å²	63.8	39%	0.392	35%	0.345	S	S	.	.	S	Bend	trans	77.9	6.5	176.6	0	0	0	0	0	115.5	R236 T237 A238	R236-G240 PolarHBondContact NH1-O 2.75Å; T237-G240 PolarHBondContact O-N 3.28Å; A238-G240 VanDerWaalsContact C-N 3.27Å; A238-G240 PolarHBondContact O-N 3.16Å
241	K	94.1	Very high	89.3	Confident	97 Å²	97	63 Å²	63	42%	0.422	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-79.1	160.3	174	-66	-172.7	-178.4	-178.1	0	111.4	V214 F215 R236 T237 E239	V214-K241 HydrophobicContact CG1-CB 3.38Å; V214-K241 HydrophobicContact CG1-CD 3.71Å; V214-K241 HydrophobicContact CG1-CG 4.19Å; F215-K241 WeakPolarHBondContact O-CB 3.27Å; R236-K241 CarbonylContact C-O 3.37Å; R236-K241 WeakPolarHBondContact CA-O 3.19Å; T237-K241 PolarHBondContact N-O 3.27Å; E239-K241 VanDerWaalsContact C-N 3.3Å; E239-K241 PolarHBondContact O-N 3.26Å
242	Y	94.5	Very high	89.4	Confident	5 Å²	5	66.1 Å²	66.1	2%	0.02	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.7	-178.3	-59.4	-88.3	0	0	0	111.2	V214 F215 E217 L220 L231 L234 R236	V214-Y242 WeakPolarHBondContact CA-O 3.25Å; F215-Y242 PolarHBondContact N-O 3.49Å; F215-Y242 PolarHBondContact O-N 2.84Å; E217-Y242 HydrophobicContact CB-CE2 3.78Å; E217-Y242 HydrophobicContact CG-CE2 4.04Å; E217-Y242 PolarHBondContact OE2-OH 2.67Å; L220-Y242 HydrophobicContact CD1-CD2 3.96Å; L220-Y242 HydrophobicContact CD1-CG 3.91Å; L231-Y242 HydrophobicContact CB-CE1 3.91Å; L234-Y242 HydrophobicContact CB-CD1 4.11Å; L234-Y242 HydrophobicContact CD1-CD1 4.16Å; L234-Y242 HydrophobicContact CD1-CG 4.3Å; R236-Y242 HydrophobicContact CG-CD1 4.36Å; R236-Y242 VanDerWaalsContact CZ-CE1 3.46Å; R236-Y242 VanDerWaalsContact CZ-OH 3.3Å; R236-Y242 PolarHBondContact NH1-OH 3.33Å; R236-Y242 PolarHBondContact NH2-OH 3.06Å
243	K	96	Very high	89.6	Confident	54 Å²	54	63 Å²	63	24%	0.235	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118	172.3	175.7	175.5	166.4	-155.2	0	109.2	F212 E235	F212-K243 HydrophobicContact CB-CD 4.45Å; F212-K243 HydrophobicContact CB-CG 3.84Å; F212-K243 HydrophobicContact CD1-CD 4.26Å; F212-K243 VanDerWaalsContact CD1-CE 3.45Å; F212-K243 HydrophobicContact CD1-CG 4.49Å; F212-K243 HydrophobicContact CD2-CD 3.9Å; F212-K243 HydrophobicContact CD2-CG 3.55Å; F212-K243 HydrophobicContact CE1-CD 4.49Å; F212-K243 HydrophobicContact CE2-CD 4.14Å; F212-K243 HydrophobicContact CE2-CG 4.19Å; F212-K243 HydrophobicContact CG-CD 3.95Å; F212-K243 HydrophobicContact CG-CG 3.71Å; F212-K243 HydrophobicContact CZ-CD 4.43Å; E235-K243 HydrophobicContact CB-CB 4.28Å; E235-K243 HydrophobicContact CB-CD 4.45Å; E235-K243 PolarHBondContact O-N 2.77Å; E235-K243 IonicContact OE2-NZ 3.74Å; E235-K243 PolarHBondContact OE2-NZ 2.77Å
244	V	95.2	Very high	90.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.8	178.6	-174	0	0	0	0	108.5	F212 L213 F215 L220 L234 H250 L254 M267	F212-V244 CarbonylContact C-O 3.32Å; F212-V244 VanDerWaalsContact CA-O 3.3Å; F212-V244 WeakPolarHBondContact CA-O 3.32Å; F212-V244 WeakPolarHBondContact CB-O 3.43Å; L213-V244 PolarHBondContact N-O 3.19Å; L213-V244 PolarHBondContact O-N 3.23Å; F215-V244 HydrophobicContact CD2-CB 4.13Å; F215-V244 HydrophobicContact CD2-CG2 3.78Å; F215-V244 HydrophobicContact CE2-CB 4.21Å; F215-V244 HydrophobicContact CE2-CG2 4.31Å; L220-V244 HydrophobicContact CD1-CG2 4.08Å; L220-V244 HydrophobicContact CD2-CG2 4.32Å; L234-V244 HydrophobicContact CD1-CG2 3.85Å; L234-V244 HydrophobicContact CD2-CG2 4.46Å; V244-H250 HydrophobicContact CG1-CB 3.98Å; V244-L254 HydrophobicContact CG1-CD1 3.87Å; V244-M267 HydrophobicContact CB-SD 4.43Å; V244-M267 HydrophobicContact CG1-CE 3.74Å; V244-M267 HydrophobicContact CG1-SD 4.05Å
245	T	93	Very high	90.6	Very high	31 Å²	31	59.7 Å²	59.7	19%	0.19	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	168.1	177.5	75.1	0	0	0	0	111.4	F212 E247 H250	F212-T245 HydrophobicContact CB-CG2 4.28Å; T245-E247 WeakPolarHBondContact OG1-CB 3.41Å; T245-E247 PolarHBondContact OG1-N 3.14Å; T245-H250 PolarHBondContact N-ND1 3.42Å; T245-H250 WeakPolarHBondContact O-CB 3.47Å; T245-H250 PolarHBondContact OG1-ND1 3.34Å
246	L	92.8	Very high	90.6	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.302	C	S	.	.	S	Bend	trans	-84	2.7	174.6	-58.1	-176.1	0	0	0	113.7	T211 M267 A270 F271 R274	T211-L246 HydrophobicContact CG2-CD1 3.56Å; T211-L246 HydrophobicContact CG2-CG 4.15Å; T211-L246 PolarHBondContact O-N 3.46Å; L246-M267 HydrophobicContact CD2-CE 3.78Å; L246-M267 HydrophobicContact CD2-SD 4.4Å; L246-A270 HydrophobicContact CD1-CB 4.11Å; L246-A270 HydrophobicContact CD2-CB 3.93Å; L246-F271 HydrophobicContact CB-CD2 4.21Å; L246-F271 HydrophobicContact CD2-CB 4.38Å; L246-F271 WeakPolarHBondContact O-CD2 3.28Å; L246-F271 WeakPolarHBondContact O-CE2 3.44Å; L246-R274 HydrophobicContact CD1-CG 3.48Å; L246-R274 VanDerWaalsContact CD1-CG 3.48Å
247	E	82.9	Confident	90.5	Very high	91 Å²	91	56.8 Å²	56.8	43%	0.425	30%	0.296	S	S	.	.	S	Bend	trans	-63.6	147.4	175.9	-67.9	-55.7	135.1	0	0	111.7	T245 P249 H250 Y251	T245-E247 WeakPolarHBondContact OG1-CB 3.41Å; T245-E247 PolarHBondContact OG1-N 3.14Å; E247-P249 VanDerWaalsContact C-CD 3.44Å; E247-P249 VanDerWaalsContact C-N 3.34Å; E247-H250 PolarHBondContact O-N 2.95Å; E247-Y251 PolarHBondContact O-N 2.98Å
248	Y	82.8	Confident	90.4	Very high	124 Å²	124	55.2 Å²	55.2	49%	0.486	29%	0.287	S	S	.	.	H	α-helix	trans	-53.4	-41.3	-174.3	-75.8	14.3	0	0	0	114	H250 H252 F271	Y248-H250 PolarHBondContact O-N 3.27Å; Y248-H252 AromaticContact CD1-NE2 3.87Å; Y248-H252 AromaticContact CD2-NE2 3.8Å; Y248-H252 AromaticContact CG-CD2 3.78Å; Y248-H252 AromaticContact CG-NE2 3.65Å; Y248-H252 PolarHBondContact O-N 2.8Å; Y248-H252 VanDerWaalsContact O-N 3.12Å; Y248-F271 HydrophobicContact CD1-CE2 4.09Å; Y248-F271 HydrophobicContact CD1-CZ 4.24Å; Y248-F271 AromaticContact CE1-CE2 3.88Å; Y248-F271 HydrophobicContact CE1-CE2 3.88Å; Y248-F271 AromaticContact CE1-CZ 3.64Å; Y248-F271 HydrophobicContact CE1-CZ 3.64Å
249	P	80.2	Confident	90.5	Very high	96 Å²	96	51.8 Å²	51.8	62%	0.623	25%	0.253	S	S	*	.	H	α-helix	trans	-61.8	-24.9	176.2	-25.3	36.6	0	0	0	114.6	E247 P253	E247-P249 VanDerWaalsContact C-CD 3.44Å; E247-P249 VanDerWaalsContact C-N 3.34Å; P249-P253 WeakPolarHBondContact O-CD 3.38Å; P249-P253 VanDerWaalsContact O-CG 3.3Å; P249-P253 WeakPolarHBondContact O-CG 3.23Å
250	H	85.2	Confident	90.6	Very high	41 Å²	41	46.9 Å²	46.9	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-93.4	-48.9	175.1	-69.1	162.6	0	0	0	111.5	Y230 V244 T245 E247 Y248 L254	Y230-H250 PolarHBondContact OH-O 3.49Å; V244-H250 HydrophobicContact CG1-CB 3.98Å; T245-H250 PolarHBondContact N-ND1 3.42Å; T245-H250 WeakPolarHBondContact O-CB 3.47Å; T245-H250 PolarHBondContact OG1-ND1 3.34Å; E247-H250 PolarHBondContact O-N 2.95Å; Y248-H250 PolarHBondContact O-N 3.27Å; H250-L254 WeakPolarHBondContact O-CB 3.13Å; H250-L254 PolarHBondContact O-N 2.84Å
251	Y	92.8	Very high	90.8	Very high	13 Å²	13	46.5 Å²	46.5	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-54.9	-173.6	179	-108	0	0	0	112.7	E247 L254 M255 M267 F271	E247-Y251 PolarHBondContact O-N 2.98Å; Y251-L254 PolarHBondContact O-N 2.69Å; Y251-M255 HydrophobicContact CD1-CG 4.25Å; Y251-M255 HydrophobicContact CD2-CG 3.79Å; Y251-M255 HydrophobicContact CD2-SD 4.4Å; Y251-M255 HydrophobicContact CE1-CG 3.96Å; Y251-M255 HydrophobicContact CE2-CG 3.43Å; Y251-M255 VanDerWaalsContact CE2-CG 3.43Å; Y251-M255 HydrophobicContact CE2-SD 3.82Å; Y251-M255 HydrophobicContact CG-CG 4.19Å; Y251-M255 VanDerWaalsContact O-CG 3.3Å; Y251-M255 WeakPolarHBondContact O-CG 3.24Å; Y251-M255 PolarHBondContact O-N 3.28Å; Y251-M267 HydrophobicContact CD2-CB 4.48Å; Y251-M267 HydrophobicContact CD2-CE 3.99Å; Y251-M267 HydrophobicContact CE2-CB 4.39Å; Y251-F271 HydrophobicContact CD1-CD1 4.37Å; Y251-F271 AromaticContact CD1-CD2 3.74Å; Y251-F271 HydrophobicContact CD1-CD2 3.74Å; Y251-F271 HydrophobicContact CD1-CE1 4.33Å; Y251-F271 AromaticContact CD1-CE2 3.67Å; Y251-F271 HydrophobicContact CD1-CE2 3.67Å; Y251-F271 HydrophobicContact CD1-CG 4.09Å; Y251-F271 AromaticContact CD1-CZ 3.96Å; Y251-F271 HydrophobicContact CD1-CZ 3.96Å; Y251-F271 HydrophobicContact CD2-CB 3.87Å; Y251-F271 AromaticContact CD2-CD2 3.72Å; Y251-F271 HydrophobicContact CD2-CD2 3.72Å; Y251-F271 HydrophobicContact CD2-CE2 4.45Å; Y251-F271 AromaticContact CD2-CG 3.88Å; Y251-F271 HydrophobicContact CD2-CG 3.88Å; Y251-F271 HydrophobicContact CE1-CB 4.47Å; Y251-F271 AromaticContact CE1-CD1 3.74Å; Y251-F271 HydrophobicContact CE1-CD1 3.74Å; Y251-F271 AromaticContact CE1-CD2 3.92Å; Y251-F271 HydrophobicContact CE1-CD2 3.92Å; Y251-F271 AromaticContact CE1-CE1 3.83Å; Y251-F271 HydrophobicContact CE1-CE1 3.83Å; Y251-F271 AromaticContact CE1-CE2 4Å; Y251-F271 HydrophobicContact CE1-CE2 4Å; Y251-F271 AromaticContact CE1-CG 3.78Å; Y251-F271 HydrophobicContact CE1-CG 3.78Å; Y251-F271 AromaticContact CE1-CZ 3.94Å; Y251-F271 HydrophobicContact CE1-CZ 3.94Å; Y251-F271 HydrophobicContact CE2-CB 3.38Å; Y251-F271 HydrophobicContact CE2-CD1 4.18Å; Y251-F271 AromaticContact CE2-CD2 3.93Å; Y251-F271 HydrophobicContact CE2-CD2 3.93Å; Y251-F271 AromaticContact CE2-CG 3.58Å; Y251-F271 HydrophobicContact CE2-CG 3.58Å; Y251-F271 AromaticContact CG-CD2 3.62Å; Y251-F271 HydrophobicContact CG-CD2 3.62Å; Y251-F271 AromaticContact CG-CE2 3.91Å; Y251-F271 HydrophobicContact CG-CE2 3.91Å; Y251-F271 HydrophobicContact CG-CG 4.13Å; Y251-F271 AromaticContact CZ-CD1 3.62Å; Y251-F271 AromaticContact CZ-CG 3.5Å
252	H	88.2	Confident	90.9	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.347	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-44.2	-171.6	-70.7	-57.1	0	0	0	113.9	Y248 L254 M255 K256	Y248-H252 AromaticContact CD1-NE2 3.87Å; Y248-H252 AromaticContact CD2-NE2 3.8Å; Y248-H252 AromaticContact CG-CD2 3.78Å; Y248-H252 AromaticContact CG-NE2 3.65Å; Y248-H252 PolarHBondContact O-N 2.8Å; Y248-H252 VanDerWaalsContact O-N 3.12Å; H252-L254 VanDerWaalsContact C-N 3.34Å; H252-L254 PolarHBondContact O-N 3.38Å; H252-M255 PolarHBondContact O-N 3.47Å; H252-K256 WeakPolarHBondContact O-CB 3.39Å; H252-K256 WeakPolarHBondContact O-CG 3.44Å; H252-K256 PolarHBondContact O-N 3.45Å; H252-K256 VanDerWaalsContact O-N 3.1Å
253	P	87.8	Confident	91	Very high	38 Å²	38	45.4 Å²	45.4	25%	0.247	22%	0.219	C	C	.	.	H	α-helix	trans	-61.8	-40.9	175.2	-25.7	37.3	0	0	0	112.7	Y230 P249 K256 R257	Y230-P253 HydrophobicContact CD2-CB 3.96Å; Y230-P253 HydrophobicContact CE2-CB 3.74Å; Y230-P253 HydrophobicContact CE2-CG 4.19Å; P249-P253 WeakPolarHBondContact O-CD 3.38Å; P249-P253 VanDerWaalsContact O-CG 3.3Å; P249-P253 WeakPolarHBondContact O-CG 3.23Å; P253-K256 PolarHBondContact O-N 3.35Å; P253-R257 WeakPolarHBondContact O-CB 3.16Å; P253-R257 PolarHBondContact O-N 2.92Å
254	L	93.8	Very high	91.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-51.1	176.1	-174.8	158.1	0	0	0	111	L220 L226 V244 H250 Y251 H252 K256 R257 C258 T263 R264 M267	L220-L254 HydrophobicContact CD2-CD1 3.93Å; L226-L254 HydrophobicContact CD1-CB 4.33Å; L226-L254 HydrophobicContact CD1-CD1 4.47Å; L226-L254 HydrophobicContact CD1-CG 4.15Å; V244-L254 HydrophobicContact CG1-CD1 3.87Å; H250-L254 WeakPolarHBondContact O-CB 3.13Å; H250-L254 PolarHBondContact O-N 2.84Å; Y251-L254 PolarHBondContact O-N 2.69Å; H252-L254 VanDerWaalsContact C-N 3.34Å; H252-L254 PolarHBondContact O-N 3.38Å; L254-K256 PolarHBondContact O-N 3.25Å; L254-R257 PolarHBondContact O-N 3.21Å; L254-C258 HydrophobicContact CD2-CB 4Å; L254-C258 HydrophobicContact CG-CB 3.97Å; L254-C258 WeakPolarHBondContact O-CB 3.2Å; L254-C258 PolarHBondContact O-N 3.29Å; L254-T263 HydrophobicContact CD1-CG2 4.21Å; L254-T263 HydrophobicContact CD2-CG2 4.25Å; L254-R264 HydrophobicContact CD2-CG 4.5Å; L254-M267 HydrophobicContact CD1-CE 4.43Å; L254-M267 HydrophobicContact CD1-CG 3.78Å; L254-M267 HydrophobicContact CD1-SD 4.27Å; L254-M267 HydrophobicContact CD2-CB 4.04Å; L254-M267 HydrophobicContact CD2-CG 3.69Å; L254-M267 HydrophobicContact CG-CG 4.39Å
255	M	95.6	Very high	91.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-27	-178.3	-66.8	-49.9	-62.7	0	0	113.3	Y251 H252 R264 M267 E268 W362 P365 Y366	Y251-M255 HydrophobicContact CD1-CG 4.25Å; Y251-M255 HydrophobicContact CD2-CG 3.79Å; Y251-M255 HydrophobicContact CD2-SD 4.4Å; Y251-M255 HydrophobicContact CE1-CG 3.96Å; Y251-M255 HydrophobicContact CE2-CG 3.43Å; Y251-M255 VanDerWaalsContact CE2-CG 3.43Å; Y251-M255 HydrophobicContact CE2-SD 3.82Å; Y251-M255 HydrophobicContact CG-CG 4.19Å; Y251-M255 VanDerWaalsContact O-CG 3.3Å; Y251-M255 WeakPolarHBondContact O-CG 3.24Å; Y251-M255 PolarHBondContact O-N 3.28Å; H252-M255 PolarHBondContact O-N 3.47Å; M255-R264 HydrophobicContact CE-CB 3.93Å; M255-R264 HydrophobicContact CE-CG 4.48Å; M255-R264 HydrophobicContact SD-CB 4.23Å; M255-M267 HydrophobicContact SD-CB 3.85Å; M255-E268 HydrophobicContact CE-CB 3.8Å; M255-E268 HydrophobicContact CE-CG 4.45Å; M255-E268 HydrophobicContact SD-CB 4.46Å; M255-W362 HydrophobicContact CE-CB 3.9Å; M255-P365 HydrophobicContact CB-CB 4.15Å; M255-P365 HydrophobicContact CB-CG 4.33Å; M255-Y366 WeakPolarHBondContact O-CA 3.39Å; M255-Y366 VanDerWaalsContact O-CB 3.31Å; M255-Y366 WeakPolarHBondContact O-CB 3.15Å; M255-Y366 PolarHBondContact O-N 2.91Å
256	K	91.4	Very high	91.5	Very high	98 Å²	98	50.6 Å²	50.6	43%	0.426	24%	0.236	S	C	.	.	H	α-helix	trans	-86.4	-29.6	178.6	-71.1	178.9	-178.5	-176.1	0	113.9	H252 P253 L254 P365 N369	H252-K256 WeakPolarHBondContact O-CB 3.39Å; H252-K256 WeakPolarHBondContact O-CG 3.44Å; H252-K256 PolarHBondContact O-N 3.45Å; H252-K256 VanDerWaalsContact O-N 3.1Å; P253-K256 PolarHBondContact O-N 3.35Å; L254-K256 PolarHBondContact O-N 3.25Å; K256-P365 HydrophobicContact CG-CB 4.27Å; K256-N369 HydrophobicContact CB-CB 4.21Å; K256-N369 PolarHBondContact O-ND2 2.85Å
257	R	89.4	Confident	91.7	Very high	99 Å²	99	50.5 Å²	50.5	37%	0.374	24%	0.235	S	C	.	.	H	α-helix	trans	-122.5	-19.9	-166.6	-60	179.7	179.2	179.7	-2.3	114.9	L226 P253 L254 H259	L226-R257 HydrophobicContact CD2-CB 3.95Å; P253-R257 WeakPolarHBondContact O-CB 3.16Å; P253-R257 PolarHBondContact O-N 2.92Å; L254-R257 PolarHBondContact O-N 3.21Å; R257-H259 PolarHBondContact O-CD2 2.92Å; R257-H259 PolarHBondContact O-N 3.04Å
258	C	92.4	Very high	92.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	22%	0.216	C	C	.	.			trans	-70.8	117.5	179.8	-176.4	0	0	0	0	110.4	L226 L254 N260 R264 Y366	L226-C258 HydrophobicContact CD1-CB 4.32Å; L254-C258 HydrophobicContact CD2-CB 4Å; L254-C258 HydrophobicContact CG-CB 3.97Å; L254-C258 WeakPolarHBondContact O-CB 3.2Å; L254-C258 PolarHBondContact O-N 3.29Å; C258-N260 VanDerWaalsContact C-N 3.32Å; C258-N260 PolarHBondContact O-N 3.42Å; C258-R264 HydrophobicContact CB-CG 4.18Å; C258-R264 VanDerWaalsContact O-CD 3.3Å; C258-R264 WeakPolarHBondContact O-CD 3.32Å; C258-R264 PolarHBondContact O-NH1 3.23Å; C258-Y366 WeakPolarHBondContact O-CD2 3.23Å
259	H	91.8	Very high	93.2	Very high	34 Å²	34	42.7 Å²	42.7	16%	0.157	21%	0.207	C	C	.	.			trans	-74.1	-21.5	-180	-78.9	-100.2	0	0	0	113.4	G224 R257 P261 R264 E347 K351 Y366	G224-H259 PolarHBondContact O-CD2 2.86Å; G224-H259 PolarHBondContact O-NE2 3.11Å; R257-H259 PolarHBondContact O-CD2 2.92Å; R257-H259 PolarHBondContact O-N 3.04Å; H259-P261 VanDerWaalsContact O-CD 3.26Å; H259-P261 WeakPolarHBondContact O-CD 3.46Å; H259-R264 PolarHBondContact O-NH1 3.29Å; H259-R264 VanDerWaalsContact O-NH1 3.13Å; H259-E347 IonicContact CE1-OE1 3.96Å; H259-E347 IonicContact CG-OE1 3.75Å; H259-E347 IonicContact ND1-OE1 3.99Å; H259-E347 PolarHBondContact ND1-OE1 2.91Å; H259-K351 PolarHBondContact ND1-NZ 3.18Å; H259-Y366 AromaticContact CE1-CZ 3.98Å; H259-Y366 PolarHBondContact CE1-OH 3.46Å; H259-Y366 AromaticContact ND1-CZ 3.79Å; H259-Y366 PolarHBondContact ND1-OH 3.36Å
260	N	93.2	Very high	94.1	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.241	19%	0.186	C	C	.	.			trans	-74.9	112.2	-179	-174.6	-27.8	0	0	0	111	C258 E262 T263 R264	C258-N260 VanDerWaalsContact C-N 3.32Å; C258-N260 PolarHBondContact O-N 3.42Å; N260-E262 VanDerWaalsContact C-N 3.3Å; N260-E262 PolarHBondContact O-N 2.87Å; N260-E262 WeakPolarHBondContact OD1-CB 3.47Å; N260-E262 PolarHBondContact OD1-N 2.65Å; N260-T263 VanDerWaalsContact CG-OG1 3.31Å; N260-T263 PolarHBondContact ND2-OG1 2.89Å; N260-T263 PolarHBondContact O-N 2.96Å; N260-T263 PolarHBondContact OD1-N 2.84Å; N260-R264 PolarHBondContact O-N 2.98Å; N260-R264 VanDerWaalsContact O-N 3.16Å
261	P	94.8	Very high	94.7	Very high	31 Å²	31	37.9 Å²	37.9	20%	0.201	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-30.9	-176.9	27.4	-34.4	0	0	0	113.1	H259 R264 R265 F353	H259-P261 VanDerWaalsContact O-CD 3.26Å; H259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-R264 PolarHBondContact O-N 2.82Å; P261-R265 WeakPolarHBondContact O-CB 3.22Å; P261-R265 PolarHBondContact O-N 3.18Å; P261-F353 HydrophobicContact CG-CD2 4.26Å; P261-F353 HydrophobicContact CG-CE2 4.38Å; P261-F353 HydrophobicContact CG-CG 4.4Å
262	E	95.6	Very high	94.9	Very high	78 Å²	78	38.5 Å²	38.5	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-70	-40	178.1	-74.7	-65	135.3	0	0	111.8	N260 R265 K266	N260-E262 VanDerWaalsContact C-N 3.3Å; N260-E262 PolarHBondContact O-N 2.87Å; N260-E262 WeakPolarHBondContact OD1-CB 3.47Å; N260-E262 PolarHBondContact OD1-N 2.65Å; E262-R265 VanDerWaalsContact CD-CZ 3.45Å; E262-R265 PolarHBondContact O-N 3.19Å; E262-R265 IonicContact OE1-CZ 3.68Å; E262-R265 IonicContact OE1-NE 2.91Å; E262-R265 IonicContact OE1-NH1 3.71Å; E262-R265 PolarHBondContact OE1-NH1 3.46Å; E262-R265 IonicContact OE1-NH2 3.64Å; E262-R265 PolarHBondContact OE1-NH2 3.45Å; E262-R265 IonicContact OE2-CZ 3.3Å; E262-R265 IonicContact OE2-NE 2.7Å; E262-R265 IonicContact OE2-NH1 3.65Å; E262-R265 PolarHBondContact OE2-NH1 3.28Å; E262-R265 IonicContact OE2-NH2 2.76Å; E262-R265 PolarHBondContact OE2-NH2 3.05Å; E262-K266 WeakPolarHBondContact O-CG 3.27Å; E262-K266 PolarHBondContact O-N 3.19Å
263	T	96.5	Very high	95.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-48.3	172.9	-56.8	0	0	0	0	110.5	F215 E219 L220 L254 N260 R265 K266 M267	F215-T263 HydrophobicContact CD1-CG2 3.95Å; F215-T263 HydrophobicContact CE1-CG2 3.76Å; F215-T263 HydrophobicContact CE2-CG2 4.37Å; F215-T263 HydrophobicContact CG-CG2 4.35Å; F215-T263 HydrophobicContact CZ-CG2 3.98Å; E219-T263 PolarHBondContact O-OG1 2.75Å; L220-T263 HydrophobicContact CD2-CG2 3.98Å; L254-T263 HydrophobicContact CD1-CG2 4.21Å; L254-T263 HydrophobicContact CD2-CG2 4.25Å; N260-T263 VanDerWaalsContact CG-OG1 3.31Å; N260-T263 PolarHBondContact ND2-OG1 2.89Å; N260-T263 PolarHBondContact O-N 2.96Å; N260-T263 PolarHBondContact OD1-N 2.84Å; T263-R265 PolarHBondContact O-N 3.14Å; T263-K266 PolarHBondContact O-N 2.93Å; T263-M267 WeakPolarHBondContact O-CG 3.44Å; T263-M267 PolarHBondContact O-N 3.44Å
264	R	97.2	Very high	95.8	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-60.3	-43.8	176.3	-65.1	-161.9	-53.7	-83.6	-0.2	112	L254 M255 C258 H259 N260 P261 M267 E268 W362 D363	L254-R264 HydrophobicContact CD2-CG 4.5Å; M255-R264 HydrophobicContact CE-CB 3.93Å; M255-R264 HydrophobicContact CE-CG 4.48Å; M255-R264 HydrophobicContact SD-CB 4.23Å; C258-R264 HydrophobicContact CB-CG 4.18Å; C258-R264 VanDerWaalsContact O-CD 3.3Å; C258-R264 WeakPolarHBondContact O-CD 3.32Å; C258-R264 PolarHBondContact O-NH1 3.23Å; H259-R264 PolarHBondContact O-NH1 3.29Å; H259-R264 VanDerWaalsContact O-NH1 3.13Å; N260-R264 PolarHBondContact O-N 2.98Å; N260-R264 VanDerWaalsContact O-N 3.16Å; P261-R264 PolarHBondContact O-N 2.82Å; R264-M267 PolarHBondContact O-N 3.38Å; R264-E268 WeakPolarHBondContact O-CB 3.26Å; R264-E268 PolarHBondContact O-N 3.17Å; R264-W362 HydrophobicContact CB-CB 4.15Å; R264-W362 WeakPolarHBondContact CD-O 3.5Å; R264-W362 PolarHBondContact NE-O 2.95Å; R264-D363 IonicContact CZ-OD1 3.25Å; R264-D363 IonicContact NH2-OD1 2.81Å; R264-D363 PolarHBondContact NH2-OD1 3.05Å
265	R	98.1	Very high	95.9	Very high	98 Å²	98	37.3 Å²	37.3	37%	0.37	18%	0.18	S	C	.	.	H	α-helix	trans	-59.5	-50.6	177.9	-173.5	-179	78.6	-162.6	3.1	111.7	P261 E262 T263 M267 E268 T269 W362	P261-R265 WeakPolarHBondContact O-CB 3.22Å; P261-R265 PolarHBondContact O-N 3.18Å; E262-R265 VanDerWaalsContact CD-CZ 3.45Å; E262-R265 PolarHBondContact O-N 3.19Å; E262-R265 IonicContact OE1-CZ 3.68Å; E262-R265 IonicContact OE1-NE 2.91Å; E262-R265 IonicContact OE1-NH1 3.71Å; E262-R265 PolarHBondContact OE1-NH1 3.46Å; E262-R265 IonicContact OE1-NH2 3.64Å; E262-R265 PolarHBondContact OE1-NH2 3.45Å; E262-R265 IonicContact OE2-CZ 3.3Å; E262-R265 IonicContact OE2-NE 2.7Å; E262-R265 IonicContact OE2-NH1 3.65Å; E262-R265 PolarHBondContact OE2-NH1 3.28Å; E262-R265 IonicContact OE2-NH2 2.76Å; E262-R265 PolarHBondContact OE2-NH2 3.05Å; T263-R265 PolarHBondContact O-N 3.14Å; R265-M267 VanDerWaalsContact C-N 3.33Å; R265-M267 PolarHBondContact O-N 3.39Å; R265-E268 PolarHBondContact O-N 3.44Å; R265-T269 WeakPolarHBondContact O-CB 3.37Å; R265-T269 PolarHBondContact O-N 2.89Å; R265-T269 PolarHBondContact O-OG1 3.23Å; R265-W362 HydrophobicContact CB-CD2 3.83Å; R265-W362 HydrophobicContact CB-CE3 4.3Å; R265-W362 HydrophobicContact CB-CG 3.95Å; R265-W362 HydrophobicContact CG-CD2 3.79Å; R265-W362 HydrophobicContact CG-CE3 3.79Å; R265-W362 HydrophobicContact CG-CG 4.42Å; R265-W362 HydrophobicContact CG-CH2 4.1Å; R265-W362 HydrophobicContact CG-CZ2 4.09Å; R265-W362 HydrophobicContact CG-CZ3 3.95Å
266	K	98.4	Very high	96	Very high	94 Å²	94	40.9 Å²	40.9	41%	0.409	20%	0.195	S	C	.	.	H	α-helix	trans	-58.1	-45.4	178.6	-72.6	173.3	-178.7	176.7	0	111.6	L213 F215 E219 E262 T263 A270	L213-K266 HydrophobicContact CD1-CB 4.04Å; F215-K266 HydrophobicContact CE1-CB 4.46Å; F215-K266 HydrophobicContact CE1-CD 4.03Å; F215-K266 HydrophobicContact CZ-CB 4.38Å; E219-K266 IonicContact OE1-NZ 2.72Å; E262-K266 WeakPolarHBondContact O-CG 3.27Å; E262-K266 PolarHBondContact O-N 3.19Å; T263-K266 PolarHBondContact O-N 2.93Å; K266-A270 WeakPolarHBondContact O-CB 3.47Å; K266-A270 PolarHBondContact O-N 3.21Å
267	M	98.1	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-46.8	178.8	-75.3	-63.4	-59.1	0	0	112.6	L213 F215 V244 L246 Y251 L254 M255 T263 R264 R265 A270 F271	L213-M267 HydrophobicContact CB-SD 4.21Å; L213-M267 HydrophobicContact CD1-CG 4.45Å; L213-M267 HydrophobicContact CD1-SD 3.77Å; L213-M267 HydrophobicContact CG-SD 4.26Å; F215-M267 HydrophobicContact CE2-CG 3.97Å; F215-M267 HydrophobicContact CE2-SD 3.59Å; F215-M267 VanDerWaalsContact CE2-SD 3.59Å; F215-M267 HydrophobicContact CZ-CG 3.87Å; F215-M267 HydrophobicContact CZ-SD 3.93Å; V244-M267 HydrophobicContact CB-SD 4.43Å; V244-M267 HydrophobicContact CG1-CE 3.74Å; V244-M267 HydrophobicContact CG1-SD 4.05Å; L246-M267 HydrophobicContact CD2-CE 3.78Å; L246-M267 HydrophobicContact CD2-SD 4.4Å; Y251-M267 HydrophobicContact CD2-CB 4.48Å; Y251-M267 HydrophobicContact CD2-CE 3.99Å; Y251-M267 HydrophobicContact CE2-CB 4.39Å; L254-M267 HydrophobicContact CD1-CE 4.43Å; L254-M267 HydrophobicContact CD1-CG 3.78Å; L254-M267 HydrophobicContact CD1-SD 4.27Å; L254-M267 HydrophobicContact CD2-CB 4.04Å; L254-M267 HydrophobicContact CD2-CG 3.69Å; L254-M267 HydrophobicContact CG-CG 4.39Å; M255-M267 HydrophobicContact SD-CB 3.85Å; T263-M267 WeakPolarHBondContact O-CG 3.44Å; T263-M267 PolarHBondContact O-N 3.44Å; R264-M267 PolarHBondContact O-N 3.38Å; R265-M267 VanDerWaalsContact C-N 3.33Å; R265-M267 PolarHBondContact O-N 3.39Å; M267-A270 PolarHBondContact O-N 3.28Å; M267-F271 VanDerWaalsContact O-CB 3.26Å; M267-F271 WeakPolarHBondContact O-CB 3.39Å; M267-F271 PolarHBondContact O-N 3.01Å
268	E	98.6	Very high	96.4	Very high	3 Å²	3	44 Å²	44	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-44.2	178.8	-176.6	-84.1	158.6	0	0	111.9	M255 R264 R265 A270 F271 H272 A361 W362 T616	M255-E268 HydrophobicContact CE-CB 3.8Å; M255-E268 HydrophobicContact CE-CG 4.45Å; M255-E268 HydrophobicContact SD-CB 4.46Å; R264-E268 WeakPolarHBondContact O-CB 3.26Å; R264-E268 PolarHBondContact O-N 3.17Å; R265-E268 PolarHBondContact O-N 3.44Å; E268-A270 PolarHBondContact O-N 3.5Å; E268-F271 PolarHBondContact O-N 3.49Å; E268-H272 PolarHBondContact O-N 2.88Å; E268-H272 IonicContact OE1-CE1 2.59Å; E268-H272 PolarHBondContact OE1-CE1 3.36Å; E268-H272 IonicContact OE1-CG 2.6Å; E268-H272 IonicContact OE1-ND1 3.01Å; E268-H272 PolarHBondContact OE1-ND1 3.06Å; E268-A361 HydrophobicContact CG-CB 4.26Å; E268-A361 WeakPolarHBondContact OE1-CB 3.44Å; E268-W362 HydrophobicContact CB-CB 3.69Å; E268-W362 HydrophobicContact CG-CB 4.01Å; E268-T616 VanDerWaalsContact CD-OG1 3.25Å; E268-T616 PolarHBondContact OE1-OG1 3.47Å; E268-T616 VanDerWaalsContact OE1-OG1 3.14Å; E268-T616 WeakPolarHBondContact OE2-CB 3.42Å; E268-T616 PolarHBondContact OE2-OG1 2.86Å
269	T	98.6	Very high	96.7	Very high	48 Å²	48	43.9 Å²	43.9	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-44.4	177.9	-62.1	0	0	0	0	111.2	R265 S273 T619	R265-T269 WeakPolarHBondContact O-CB 3.37Å; R265-T269 PolarHBondContact O-N 2.89Å; R265-T269 PolarHBondContact O-OG1 3.23Å; T269-S273 WeakPolarHBondContact O-CB 3.43Å; T269-S273 PolarHBondContact O-N 3.45Å; T269-S273 VanDerWaalsContact O-N 3.16Å; T269-S273 PolarHBondContact O-OG 3.23Å; T269-T619 HydrophobicContact CG2-CG2 4.23Å
270	A	98.4	Very high	97	Very high	22 Å²	22	43.5 Å²	43.5	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-47.1	176.7	0	0	0	0	0	111.5	L213 L246 K266 M267 E268 H272 S273 R274	L213-A270 HydrophobicContact CD1-CB 4Å; L213-A270 HydrophobicContact CG-CB 4.44Å; L246-A270 HydrophobicContact CD1-CB 4.11Å; L246-A270 HydrophobicContact CD2-CB 3.93Å; K266-A270 WeakPolarHBondContact O-CB 3.47Å; K266-A270 PolarHBondContact O-N 3.21Å; M267-A270 PolarHBondContact O-N 3.28Å; E268-A270 PolarHBondContact O-N 3.5Å; A270-H272 PolarHBondContact O-N 3.31Å; A270-S273 PolarHBondContact O-N 3.32Å; A270-S273 VanDerWaalsContact O-N 3.07Å; A270-R274 PolarHBondContact O-N 3.42Å
271	F	97.8	Very high	97.2	Very high	14 Å²	14	44.2 Å²	44.2	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-59.8	-45	-179.4	-174.7	-90.8	0	0	0	113.2	L246 Y248 Y251 M267 E268 S273 R274	L246-F271 HydrophobicContact CB-CD2 4.21Å; L246-F271 HydrophobicContact CD2-CB 4.38Å; L246-F271 WeakPolarHBondContact O-CD2 3.28Å; L246-F271 WeakPolarHBondContact O-CE2 3.44Å; Y248-F271 HydrophobicContact CD1-CE2 4.09Å; Y248-F271 HydrophobicContact CD1-CZ 4.24Å; Y248-F271 AromaticContact CE1-CE2 3.88Å; Y248-F271 HydrophobicContact CE1-CE2 3.88Å; Y248-F271 AromaticContact CE1-CZ 3.64Å; Y248-F271 HydrophobicContact CE1-CZ 3.64Å; Y251-F271 HydrophobicContact CD1-CD1 4.37Å; Y251-F271 AromaticContact CD1-CD2 3.74Å; Y251-F271 HydrophobicContact CD1-CD2 3.74Å; Y251-F271 HydrophobicContact CD1-CE1 4.33Å; Y251-F271 AromaticContact CD1-CE2 3.67Å; Y251-F271 HydrophobicContact CD1-CE2 3.67Å; Y251-F271 HydrophobicContact CD1-CG 4.09Å; Y251-F271 AromaticContact CD1-CZ 3.96Å; Y251-F271 HydrophobicContact CD1-CZ 3.96Å; Y251-F271 HydrophobicContact CD2-CB 3.87Å; Y251-F271 AromaticContact CD2-CD2 3.72Å; Y251-F271 HydrophobicContact CD2-CD2 3.72Å; Y251-F271 HydrophobicContact CD2-CE2 4.45Å; Y251-F271 AromaticContact CD2-CG 3.88Å; Y251-F271 HydrophobicContact CD2-CG 3.88Å; Y251-F271 HydrophobicContact CE1-CB 4.47Å; Y251-F271 AromaticContact CE1-CD1 3.74Å; Y251-F271 HydrophobicContact CE1-CD1 3.74Å; Y251-F271 AromaticContact CE1-CD2 3.92Å; Y251-F271 HydrophobicContact CE1-CD2 3.92Å; Y251-F271 AromaticContact CE1-CE1 3.83Å; Y251-F271 HydrophobicContact CE1-CE1 3.83Å; Y251-F271 AromaticContact CE1-CE2 4Å; Y251-F271 HydrophobicContact CE1-CE2 4Å; Y251-F271 AromaticContact CE1-CG 3.78Å; Y251-F271 HydrophobicContact CE1-CG 3.78Å; Y251-F271 AromaticContact CE1-CZ 3.94Å; Y251-F271 HydrophobicContact CE1-CZ 3.94Å; Y251-F271 HydrophobicContact CE2-CB 3.38Å; Y251-F271 HydrophobicContact CE2-CD1 4.18Å; Y251-F271 AromaticContact CE2-CD2 3.93Å; Y251-F271 HydrophobicContact CE2-CD2 3.93Å; Y251-F271 AromaticContact CE2-CG 3.58Å; Y251-F271 HydrophobicContact CE2-CG 3.58Å; Y251-F271 AromaticContact CG-CD2 3.62Å; Y251-F271 HydrophobicContact CG-CD2 3.62Å; Y251-F271 AromaticContact CG-CE2 3.91Å; Y251-F271 HydrophobicContact CG-CE2 3.91Å; Y251-F271 HydrophobicContact CG-CG 4.13Å; Y251-F271 AromaticContact CZ-CD1 3.62Å; Y251-F271 AromaticContact CZ-CG 3.5Å; M267-F271 VanDerWaalsContact O-CB 3.26Å; M267-F271 WeakPolarHBondContact O-CB 3.39Å; M267-F271 PolarHBondContact O-N 3.01Å; E268-F271 PolarHBondContact O-N 3.49Å; F271-S273 VanDerWaalsContact C-N 3.25Å; F271-S273 PolarHBondContact O-N 3.45Å; F271-R274 VanDerWaalsContact CE2-CZ 3.46Å; F271-R274 VanDerWaalsContact CE2-NH2 3.33Å; F271-R274 WeakPolarHBondContact O-CG 3.45Å; F271-R274 PolarHBondContact O-NE 3.32Å
272	H	97.5	Very high	97.4	Very high	26 Å²	26	43.4 Å²	43.4	12%	0.12	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	7.9	176.9	-63.3	139.2	0	0	0	114	E268 A270 T619 N620 M621	E268-H272 PolarHBondContact O-N 2.88Å; E268-H272 IonicContact OE1-CE1 2.59Å; E268-H272 PolarHBondContact OE1-CE1 3.36Å; E268-H272 IonicContact OE1-CG 2.6Å; E268-H272 IonicContact OE1-ND1 3.01Å; E268-H272 PolarHBondContact OE1-ND1 3.06Å; A270-H272 PolarHBondContact O-N 3.31Å; H272-T619 HydrophobicContact CB-CG2 4.07Å; H272-N620 CarbonylContact O-C 2.92Å; H272-N620 PolarHBondContact O-N 3.18Å; H272-M621 HydrophobicContact CB-CB 4.5Å; H272-M621 VanDerWaalsContact CD2-CG 3.48Å; H272-M621 WeakPolarHBondContact CD2-CG 3.46Å
273	S	97.9	Very high	97.5	Very high	35 Å²	35	39.7 Å²	39.7	25%	0.245	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	4.5	172	-56.2	0	0	0	0	113.1	T269 A270 F271 C275 K276	T269-S273 WeakPolarHBondContact O-CB 3.43Å; T269-S273 PolarHBondContact O-N 3.45Å; T269-S273 VanDerWaalsContact O-N 3.16Å; T269-S273 PolarHBondContact O-OG 3.23Å; A270-S273 PolarHBondContact O-N 3.32Å; A270-S273 VanDerWaalsContact O-N 3.07Å; F271-S273 VanDerWaalsContact C-N 3.25Å; F271-S273 PolarHBondContact O-N 3.45Å; S273-C275 PolarHBondContact O-N 3.37Å; S273-K276 VanDerWaalsContact O-CB 3.27Å; S273-K276 WeakPolarHBondContact O-CB 3.44Å; S273-K276 PolarHBondContact O-N 2.94Å; S273-K276 VanDerWaalsContact O-N 3.11Å
274	R	96.3	Very high	97.6	Very high	23 Å²	23	42.5 Å²	42.5	9%	0.087	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	128.9	175.3	-72.8	-177.3	-64.4	165.4	10.4	110.4	L206 D209 L246 A270 F271 K276	L206-R274 HydrophobicContact CD2-CB 4.28Å; D209-R274 VanDerWaalsContact OD1-CD 3.29Å; D209-R274 WeakPolarHBondContact OD1-CD 3.29Å; D209-R274 WeakPolarHBondContact OD1-CG 3.45Å; L246-R274 HydrophobicContact CD1-CG 3.48Å; L246-R274 VanDerWaalsContact CD1-CG 3.48Å; A270-R274 PolarHBondContact O-N 3.42Å; F271-R274 VanDerWaalsContact CE2-CZ 3.46Å; F271-R274 VanDerWaalsContact CE2-NH2 3.33Å; F271-R274 WeakPolarHBondContact O-CG 3.45Å; F271-R274 PolarHBondContact O-NE 3.32Å; R274-K276 PolarHBondContact O-N 3.08Å
275	C	96.1	Very high	97.7	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.196	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	15	179.7	-49.1	0	0	0	0	115	N205 L206 S273 Q277 V278 N279	N205-C275 HydrophobicContact CB-CB 4.33Å; N205-C275 PolarHBondContact O-SG 3.38Å; L206-C275 HydrophobicContact CD2-CB 4.12Å; S273-C275 PolarHBondContact O-N 3.37Å; C275-Q277 VanDerWaalsContact C-N 3.32Å; C275-Q277 PolarHBondContact O-N 2.95Å; C275-Q277 VanDerWaalsContact O-N 3.13Å; C275-V278 PolarHBondContact O-N 3.48Å; C275-N279 HydrophobicContact CB-CB 4Å; C275-N279 WeakPolarHBondContact O-CB 3.29Å; C275-N279 PolarHBondContact O-N 2.91Å
276	K	97.3	Very high	97.7	Very high	77 Å²	77	41.6 Å²	41.6	34%	0.335	22%	0.222	S	C	.	.	H	α-helix	trans	-48.4	-49.8	-170.1	175.9	-177	178	-163.9	0	112.9	S273 R274 V278 T280 G618 N620	S273-K276 VanDerWaalsContact O-CB 3.27Å; S273-K276 WeakPolarHBondContact O-CB 3.44Å; S273-K276 PolarHBondContact O-N 2.94Å; S273-K276 VanDerWaalsContact O-N 3.11Å; R274-K276 PolarHBondContact O-N 3.08Å; K276-V278 VanDerWaalsContact C-N 3.35Å; K276-V278 PolarHBondContact O-N 3.17Å; K276-T280 WeakPolarHBondContact O-CB 3.35Å; K276-T280 PolarHBondContact O-N 3.18Å; K276-T280 VanDerWaalsContact O-N 3.16Å; K276-T280 PolarHBondContact O-OG1 3.25Å; K276-G618 PolarHBondContact NZ-O 2.8Å; K276-N620 HydrophobicContact CD-CB 4.27Å; K276-N620 HydrophobicContact CG-CB 3.99Å
277	Q	93.2	Very high	97.7	Very high	182 Å²	182	37.3 Å²	37.3	85%	0.85	20%	0.203	S	C	*	.	H	α-helix	trans	-61.9	-40.9	-175.7	-68.4	-175.2	-3.6	0	0	113	C275	C275-Q277 VanDerWaalsContact C-N 3.32Å; C275-Q277 PolarHBondContact O-N 2.95Å; C275-Q277 VanDerWaalsContact O-N 3.13Å
278	V	97.2	Very high	97.7	Very high	80 Å²	80	42.4 Å²	42.4	49%	0.485	23%	0.227	S	C	.	.	H	α-helix	trans	-87.3	-48.6	-174.7	-176.1	0	0	0	0	110.6	N205 C275 K276 T280 A281 I282	N205-V278 WeakPolarHBondContact ND2-CG1 3.45Å; C275-V278 PolarHBondContact O-N 3.48Å; K276-V278 VanDerWaalsContact C-N 3.35Å; K276-V278 PolarHBondContact O-N 3.17Å; V278-T280 PolarHBondContact O-N 3.02Å; V278-A281 PolarHBondContact O-N 3.04Å; V278-I282 HydrophobicContact CG1-CD1 3.88Å; V278-I282 WeakPolarHBondContact O-CG1 3.41Å; V278-I282 PolarHBondContact O-N 2.86Å
279	N	98.1	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-74.6	-25	-173	-83.2	12.8	0	0	0	113.8	F202 N205 L206 C275 L283 A623	F202-N279 HydrophobicContact CD2-CB 3.75Å; F202-N279 HydrophobicContact CE2-CB 3.58Å; F202-N279 HydrophobicContact CZ-CB 4.34Å; F202-N279 PolarHBondContact O-ND2 3.41Å; N205-N279 WeakPolarHBondContact CB-OD1 3.22Å; N205-N279 PolarHBondContact ND2-OD1 2.63Å; L206-N279 WeakPolarHBondContact CG-ND2 3.27Å; C275-N279 HydrophobicContact CB-CB 4Å; C275-N279 WeakPolarHBondContact O-CB 3.29Å; C275-N279 PolarHBondContact O-N 2.91Å; N279-L283 VanDerWaalsContact O-CB 3.29Å; N279-L283 WeakPolarHBondContact O-CB 3.2Å; N279-L283 PolarHBondContact O-N 3.32Å; N279-A623 HydrophobicContact CB-CB 3.97Å; N279-A623 WeakPolarHBondContact CB-O 3.42Å; N279-A623 PolarHBondContact ND2-O 3.15Å
280	T	98.4	Very high	97.7	Very high	26 Å²	26	41.2 Å²	41.2	16%	0.16	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-48.7	170.7	-65.2	0	0	0	0	110.9	K276 V278 I282 L283 E284 N620	K276-T280 WeakPolarHBondContact O-CB 3.35Å; K276-T280 PolarHBondContact O-N 3.18Å; K276-T280 VanDerWaalsContact O-N 3.16Å; K276-T280 PolarHBondContact O-OG1 3.25Å; V278-T280 PolarHBondContact O-N 3.02Å; T280-I282 VanDerWaalsContact C-N 3.35Å; T280-I282 PolarHBondContact O-N 2.84Å; T280-L283 PolarHBondContact O-N 2.83Å; T280-E284 WeakPolarHBondContact CG2-OE1 3.42Å; T280-E284 WeakPolarHBondContact O-CG 3.45Å; T280-E284 PolarHBondContact O-N 3.17Å; T280-N620 PolarHBondContact OG1-ND2 2.98Å
281	A	98	Very high	97.7	Very high	60 Å²	60	41.2 Å²	41.2	50%	0.496	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-41.2	178.9	0	0	0	0	0	112	V278 Q285	V278-A281 PolarHBondContact O-N 3.04Å; A281-Q285 WeakPolarHBondContact O-CB 3.44Å; A281-Q285 PolarHBondContact O-N 2.91Å
282	I	98.3	Very high	97.7	Very high	14 Å²	14	44.6 Å²	44.6	7%	0.072	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-48.6	175.2	-69.4	172.6	0	0	0	110.9	L198 E201 F202 V278 T280 E284 Q285 L286	L198-I282 HydrophobicContact CB-CG2 4.06Å; L198-I282 HydrophobicContact CD2-CG1 4.23Å; L198-I282 HydrophobicContact CD2-CG2 4.14Å; L198-I282 WeakPolarHBondContact O-CG2 3.4Å; E201-I282 HydrophobicContact CB-CD1 4.3Å; E201-I282 HydrophobicContact CG-CD1 3.7Å; F202-I282 HydrophobicContact CB-CG2 3.93Å; F202-I282 HydrophobicContact CD2-CB 4.4Å; F202-I282 HydrophobicContact CD2-CG2 4.03Å; F202-I282 HydrophobicContact CG-CG2 4.49Å; V278-I282 HydrophobicContact CG1-CD1 3.88Å; V278-I282 WeakPolarHBondContact O-CG1 3.41Å; V278-I282 PolarHBondContact O-N 2.86Å; T280-I282 VanDerWaalsContact C-N 3.35Å; T280-I282 PolarHBondContact O-N 2.84Å; I282-E284 PolarHBondContact O-N 2.86Å; I282-Q285 PolarHBondContact O-N 3.43Å; I282-L286 HydrophobicContact CG2-CD1 3.96Å; I282-L286 HydrophobicContact CG2-CG 4.33Å; I282-L286 WeakPolarHBondContact O-CG 3.44Å; I282-L286 PolarHBondContact O-N 3.34Å
283	L	98.3	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-42.8	-177.3	-179.2	59.8	0	0	0	112.2	F202 N279 T280 Q285 L286 I287 T599 L628	F202-L283 HydrophobicContact CE2-CB 4.08Å; N279-L283 VanDerWaalsContact O-CB 3.29Å; N279-L283 WeakPolarHBondContact O-CB 3.2Å; N279-L283 PolarHBondContact O-N 3.32Å; T280-L283 PolarHBondContact O-N 2.83Å; L283-Q285 VanDerWaalsContact C-N 3.3Å; L283-Q285 PolarHBondContact O-N 2.96Å; L283-L286 WeakPolarHBondContact O-CB 3.41Å; L283-L286 PolarHBondContact O-N 2.81Å; L283-I287 HydrophobicContact CG-CD1 4.27Å; L283-I287 WeakPolarHBondContact O-CG1 3.37Å; L283-I287 PolarHBondContact O-N 2.59Å; L283-T599 HydrophobicContact CD2-CG2 3.73Å; L283-T599 HydrophobicContact CG-CG2 3.91Å; L283-L628 HydrophobicContact CD1-CB 3.86Å; L283-L628 HydrophobicContact CD1-CD1 4.04Å; L283-L628 HydrophobicContact CD2-CD1 3.7Å
284	E	98.1	Very high	97.7	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	22%	0.219	S	C	.	.	H	α-helix	trans	-65	-35.9	177.3	-71.7	173.7	-177.1	0	0	111.9	T280 I282 Q288 T599	T280-E284 WeakPolarHBondContact CG2-OE1 3.42Å; T280-E284 WeakPolarHBondContact O-CG 3.45Å; T280-E284 PolarHBondContact O-N 3.17Å; I282-E284 PolarHBondContact O-N 2.86Å; E284-Q288 WeakPolarHBondContact O-CG 3.42Å; E284-Q288 PolarHBondContact O-N 3.38Å; E284-T599 HydrophobicContact CG-CG2 3.7Å
285	Q	98.2	Very high	97.8	Very high	82 Å²	82	47 Å²	47	38%	0.383	25%	0.246	S	C	.	.	H	α-helix	trans	-68	-41.5	172.2	-170.1	174.6	31.1	0	0	111.9	L198 A281 I282 L283 I287 Q288 L289	L198-Q285 HydrophobicContact CD1-CB 4.26Å; L198-Q285 HydrophobicContact CD1-CG 3.84Å; A281-Q285 WeakPolarHBondContact O-CB 3.44Å; A281-Q285 PolarHBondContact O-N 2.91Å; I282-Q285 PolarHBondContact O-N 3.43Å; L283-Q285 VanDerWaalsContact C-N 3.3Å; L283-Q285 PolarHBondContact O-N 2.96Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 2.73Å; Q285-Q288 PolarHBondContact O-N 3.22Å; Q285-L289 HydrophobicContact CG-CD1 3.93Å; Q285-L289 HydrophobicContact CG-CG 4.34Å; Q285-L289 VanDerWaalsContact O-CG 3.24Å; Q285-L289 WeakPolarHBondContact O-CG 3.45Å; Q285-L289 PolarHBondContact O-N 3.32Å
286	L	98.4	Very high	97.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-45.9	175.2	-78.4	171	0	0	0	111.5	I195 L198 I282 L283 Q288 L289 R290 A629	I195-L286 HydrophobicContact CB-CD2 4.28Å; I195-L286 HydrophobicContact CG2-CD2 3.92Å; I195-L286 WeakPolarHBondContact O-CD2 3.41Å; L198-L286 HydrophobicContact CB-CD1 4.48Å; L198-L286 HydrophobicContact CB-CD2 3.63Å; L198-L286 HydrophobicContact CB-CG 3.97Å; L198-L286 HydrophobicContact CD1-CD2 4.28Å; L198-L286 HydrophobicContact CD1-CG 4.44Å; I282-L286 HydrophobicContact CG2-CD1 3.96Å; I282-L286 HydrophobicContact CG2-CG 4.33Å; I282-L286 WeakPolarHBondContact O-CG 3.44Å; I282-L286 PolarHBondContact O-N 3.34Å; L283-L286 WeakPolarHBondContact O-CB 3.41Å; L283-L286 PolarHBondContact O-N 2.81Å; L286-Q288 PolarHBondContact O-N 3.31Å; L286-L289 PolarHBondContact O-N 3Å; L286-R290 VanDerWaalsContact O-CB 3.28Å; L286-R290 WeakPolarHBondContact O-CB 3.33Å; L286-R290 VanDerWaalsContact O-CG 3.29Å; L286-R290 WeakPolarHBondContact O-CG 3.28Å; L286-R290 PolarHBondContact O-N 2.94Å; L286-A629 HydrophobicContact CD1-CB 4.21Å
287	I	98.3	Very high	97.8	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-48.6	178	-70.6	162.4	0	0	0	111	L283 Q285 L289 R290 A291 L591 C594 T599	L283-I287 HydrophobicContact CG-CD1 4.27Å; L283-I287 WeakPolarHBondContact O-CG1 3.37Å; L283-I287 PolarHBondContact O-N 2.59Å; Q285-I287 VanDerWaalsContact C-N 3.34Å; Q285-I287 PolarHBondContact O-N 2.73Å; I287-L289 PolarHBondContact O-N 3.32Å; I287-R290 PolarHBondContact O-N 2.93Å; I287-A291 WeakPolarHBondContact O-CB 3.46Å; I287-A291 PolarHBondContact O-N 3.36Å; I287-L591 HydrophobicContact CD1-CB 3.92Å; I287-L591 HydrophobicContact CD1-CD1 4.37Å; I287-L591 HydrophobicContact CD1-CD2 3.91Å; I287-L591 HydrophobicContact CD1-CG 4.27Å; I287-L591 HydrophobicContact CG1-CB 4.39Å; I287-L591 VanDerWaalsContact CG2-O 3.29Å; I287-L591 WeakPolarHBondContact CG2-O 3.39Å; I287-C594 WeakPolarHBondContact CG2-O 3.24Å; I287-T599 HydrophobicContact CD1-CG2 3.76Å
288	Q	98.6	Very high	98	Very high	107 Å²	107	39.2 Å²	39.2	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-44.8	179.3	-68.8	171.5	32	0	0	112.3	E284 Q285 L286 A291 K292 P595	E284-Q288 WeakPolarHBondContact O-CG 3.42Å; E284-Q288 PolarHBondContact O-N 3.38Å; Q285-Q288 PolarHBondContact O-N 3.22Å; L286-Q288 PolarHBondContact O-N 3.31Å; Q288-A291 PolarHBondContact O-N 3.47Å; Q288-K292 WeakPolarHBondContact O-CB 3.46Å; Q288-K292 PolarHBondContact O-N 3.47Å; Q288-P595 WeakPolarHBondContact CA-O 3.45Å; Q288-P595 VanDerWaalsContact CG-O 3.29Å; Q288-P595 WeakPolarHBondContact CG-O 3.45Å
289	L	98.3	Very high	98.1	Very high	22 Å²	22	37.4 Å²	37.4	12%	0.115	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-40.6	-179.6	-66.2	169	0	0	0	111.6	T191 L194 I195 L198 Q285 L286 I287 K292 V293	T191-L289 HydrophobicContact CG2-CB 3.98Å; T191-L289 HydrophobicContact CG2-CD2 3.76Å; T191-L289 HydrophobicContact CG2-CG 4.44Å; L194-L289 HydrophobicContact CB-CD1 4.29Å; L194-L289 HydrophobicContact CD2-CD1 3.58Å; L194-L289 HydrophobicContact CD2-CD2 3.93Å; L194-L289 HydrophobicContact CD2-CG 4.43Å; L194-L289 HydrophobicContact CG-CD1 3.66Å; I195-L289 HydrophobicContact CD1-CB 3.9Å; I195-L289 HydrophobicContact CG1-CB 3.57Å; I195-L289 HydrophobicContact CG1-CD1 4.18Å; L198-L289 HydrophobicContact CD1-CD1 3.59Å; Q285-L289 HydrophobicContact CG-CD1 3.93Å; Q285-L289 HydrophobicContact CG-CG 4.34Å; Q285-L289 VanDerWaalsContact O-CG 3.24Å; Q285-L289 WeakPolarHBondContact O-CG 3.45Å; Q285-L289 PolarHBondContact O-N 3.32Å; L286-L289 PolarHBondContact O-N 3Å; I287-L289 PolarHBondContact O-N 3.32Å; L289-K292 WeakPolarHBondContact O-CB 3.28Å; L289-K292 PolarHBondContact O-N 3.03Å; L289-V293 WeakPolarHBondContact O-CG2 3.38Å; L289-V293 PolarHBondContact O-N 3.2Å
290	R	98.3	Very high	98	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-46.5	175.6	-80.6	175	172.4	147.6	3.3	111.8	I195 L286 I287 K292 V293 A294 H302 H592 L628 D633	I195-R290 HydrophobicContact CD1-CG 4.02Å; I195-R290 HydrophobicContact CG2-CG 4.47Å; L286-R290 VanDerWaalsContact O-CB 3.28Å; L286-R290 WeakPolarHBondContact O-CB 3.33Å; L286-R290 VanDerWaalsContact O-CG 3.29Å; L286-R290 WeakPolarHBondContact O-CG 3.28Å; L286-R290 PolarHBondContact O-N 2.94Å; I287-R290 PolarHBondContact O-N 2.93Å; R290-K292 VanDerWaalsContact C-N 3.29Å; R290-K292 PolarHBondContact O-N 3.48Å; R290-V293 PolarHBondContact O-N 3.12Å; R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 2.86Å; R290-H302 HydrophobicContact CB-CB 3.98Å; R290-H592 PolarHBondContact NH1-NE2 3.11Å; R290-L628 VanDerWaalsContact CZ-O 3.25Å; R290-L628 PolarHBondContact NH1-O 2.96Å; R290-L628 PolarHBondContact NH2-O 3.33Å; R290-D633 VanDerWaalsContact CZ-CB 3.41Å; R290-D633 IonicContact CZ-OD1 2.7Å; R290-D633 IonicContact CZ-OD2 2.84Å; R290-D633 IonicContact NE-OD2 3.53Å; R290-D633 PolarHBondContact NE-OD2 3.01Å; R290-D633 IonicContact NH2-OD1 3.85Å; R290-D633 PolarHBondContact NH2-OD1 3.29Å; R290-D633 IonicContact NH2-OD2 3.38Å; R290-D633 PolarHBondContact NH2-OD2 2.76Å
291	A	98.4	Very high	98	Very high	22 Å²	22	41.7 Å²	41.7	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-41.8	174.8	0	0	0	0	0	111.8	I287 Q288 A294 D295 P595	I287-A291 WeakPolarHBondContact O-CB 3.46Å; I287-A291 PolarHBondContact O-N 3.36Å; Q288-A291 PolarHBondContact O-N 3.47Å; A291-A294 PolarHBondContact O-N 2.92Å; A291-D295 PolarHBondContact O-N 2.8Å; A291-P595 HydrophobicContact CB-CB 4.09Å
292	K	98	Very high	98	Very high	85 Å²	85	39.5 Å²	39.5	37%	0.37	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-43.4	175.4	179.1	175.1	177.2	174.9	0	113	E187 Q288 L289 R290 A294 D295 L296	E187-K292 WeakPolarHBondContact OE1-CE 3.45Å; E187-K292 IonicContact OE1-NZ 2.9Å; E187-K292 PolarHBondContact OE1-NZ 3.27Å; Q288-K292 WeakPolarHBondContact O-CB 3.46Å; Q288-K292 PolarHBondContact O-N 3.47Å; L289-K292 WeakPolarHBondContact O-CB 3.28Å; L289-K292 PolarHBondContact O-N 3.03Å; R290-K292 VanDerWaalsContact C-N 3.29Å; R290-K292 PolarHBondContact O-N 3.48Å; K292-A294 VanDerWaalsContact C-N 3.35Å; K292-D295 PolarHBondContact O-N 3.28Å; K292-L296 HydrophobicContact CG-CD1 4.22Å; K292-L296 VanDerWaalsContact O-CG 3.29Å; K292-L296 WeakPolarHBondContact O-CG 3.49Å; K292-L296 PolarHBondContact O-N 2.98Å
293	V	97.8	Very high	98	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-43	176.6	170.7	0	0	0	0	110.7	V188 T191 I195 L289 R290 D295 L296 L297	V188-V293 HydrophobicContact CG1-CG1 4.36Å; T191-V293 HydrophobicContact CG2-CG2 3.51Å; I195-V293 HydrophobicContact CD1-CG2 3.9Å; L289-V293 WeakPolarHBondContact O-CG2 3.38Å; L289-V293 PolarHBondContact O-N 3.2Å; R290-V293 PolarHBondContact O-N 3.12Å; V293-D295 PolarHBondContact O-N 2.89Å; V293-L296 PolarHBondContact O-N 3.01Å; V293-L297 HydrophobicContact CG1-CD1 3.73Å; V293-L297 HydrophobicContact CG1-CG 4.41Å; V293-L297 WeakPolarHBondContact O-CB 3.29Å; V293-L297 VanDerWaalsContact O-CG 3.28Å; V293-L297 WeakPolarHBondContact O-CG 3.24Å; V293-L297 PolarHBondContact O-N 2.57Å; V293-L297 VanDerWaalsContact O-N 3.08Å
294	A	97.9	Very high	98	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-46.2	177	0	0	0	0	0	111.9	R290 A291 K292 L297 G298 Y299 H302	R290-A294 WeakPolarHBondContact O-CB 3.48Å; R290-A294 PolarHBondContact O-N 2.86Å; A291-A294 PolarHBondContact O-N 2.92Å; K292-A294 VanDerWaalsContact C-N 3.35Å; A294-L297 CarbonylContact O-C 3.57Å; A294-L297 PolarHBondContact O-N 3.49Å; A294-L297 VanDerWaalsContact O-N 3.17Å; A294-G298 PolarHBondContact O-N 3.31Å; A294-G298 VanDerWaalsContact O-N 3.09Å; A294-Y299 CarbonylContact C-O 3.49Å; A294-Y299 PolarHBondContact O-N 3.33Å; A294-H302 HydrophobicContact CB-CB 4.49Å
295	D	97.9	Very high	98	Very high	122 Å²	122	39 Å²	39	65%	0.652	22%	0.221	S	C	*	.	H	α-helix	trans	-60.9	-47.1	177.2	-177.4	62.3	0	0	0	112.2	A291 K292 V293 L297 G298	A291-D295 PolarHBondContact O-N 2.8Å; K292-D295 PolarHBondContact O-N 3.28Å; V293-D295 PolarHBondContact O-N 2.89Å; D295-L297 PolarHBondContact O-N 3.2Å; D295-G298 PolarHBondContact O-N 3.42Å
296	L	97.6	Very high	98	Very high	43 Å²	43	35.7 Å²	35.7	23%	0.225	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-30.7	175.9	-73.1	171	0	0	0	113.1	L180 I184 E187 V188 K292 V293	L180-L296 WeakPolarHBondContact CD1-O 3.28Å; I184-L296 HydrophobicContact CG2-CB 4.2Å; I184-L296 HydrophobicContact CG2-CD2 4.32Å; E187-L296 HydrophobicContact CB-CD1 4.23Å; E187-L296 HydrophobicContact CG-CD1 3.63Å; V188-L296 HydrophobicContact CG2-CB 3.85Å; V188-L296 HydrophobicContact CG2-CD1 4.01Å; K292-L296 HydrophobicContact CG-CD1 4.22Å; K292-L296 VanDerWaalsContact O-CG 3.29Å; K292-L296 WeakPolarHBondContact O-CG 3.49Å; K292-L296 PolarHBondContact O-N 2.98Å; V293-L296 PolarHBondContact O-N 3.01Å
297	L	97.3	Very high	97.9	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.6	178.4	-66.3	174.2	0	0	0	113.1	R175 L180 V188 V293 A294 D295 Y299 Y305	R175-L297 WeakPolarHBondContact O-CD1 3.2Å; L180-L297 HydrophobicContact CD1-CD2 4.05Å; V188-L297 HydrophobicContact CG1-CD2 4.48Å; V188-L297 HydrophobicContact CG2-CD2 4.12Å; V188-L297 HydrophobicContact CG2-CG 4.29Å; V293-L297 HydrophobicContact CG1-CD1 3.73Å; V293-L297 HydrophobicContact CG1-CG 4.41Å; V293-L297 WeakPolarHBondContact O-CB 3.29Å; V293-L297 VanDerWaalsContact O-CG 3.28Å; V293-L297 WeakPolarHBondContact O-CG 3.24Å; V293-L297 PolarHBondContact O-N 2.57Å; V293-L297 VanDerWaalsContact O-N 3.08Å; A294-L297 CarbonylContact O-C 3.57Å; A294-L297 PolarHBondContact O-N 3.49Å; A294-L297 VanDerWaalsContact O-N 3.17Å; D295-L297 PolarHBondContact O-N 3.2Å; L297-Y299 HydrophobicContact CB-CD2 3.72Å; L297-Y299 HydrophobicContact CB-CE2 3.89Å; L297-Y305 HydrophobicContact CD1-CD2 4.13Å; L297-Y305 HydrophobicContact CD1-CE2 3.69Å
298	G	97.2	Very high	97.9	Very high	70 Å²	70	38.9 Å²	38.9	72%	0.722	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	17.7	176.6	0	0	0	0	0	115.3	A294 D295	A294-G298 PolarHBondContact O-N 3.31Å; A294-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact O-N 3.42Å
299	Y	98	Very high	97.7	Very high	41 Å²	41	35.8 Å²	35.8	16%	0.161	21%	0.208	C	C	.	.			trans	-97.1	145.3	176.4	-63.7	-94.4	0	0	0	111	A294 L297 S301 Y305 E308	A294-Y299 CarbonylContact C-O 3.49Å; A294-Y299 PolarHBondContact O-N 3.33Å; L297-Y299 HydrophobicContact CB-CD2 3.72Å; L297-Y299 HydrophobicContact CB-CE2 3.89Å; Y299-S301 VanDerWaalsContact C-N 3.27Å; Y299-S301 PolarHBondContact O-N 3Å; Y299-Y305 AromaticContact CD2-CD2 3.78Å; Y299-Y305 HydrophobicContact CD2-CD2 3.78Å; Y299-Y305 HydrophobicContact CD2-CG 4.45Å; Y299-Y305 HydrophobicContact CE1-CD2 4.5Å; Y299-Y305 AromaticContact CE2-CD2 3.63Å; Y299-Y305 HydrophobicContact CE2-CD2 3.63Å; Y299-Y305 HydrophobicContact CE2-CE2 4.33Å; Y299-Y305 HydrophobicContact CG-CD2 4.29Å; Y299-E308 HydrophobicContact CE1-CB 4.41Å; Y299-E308 WeakPolarHBondContact CE1-OE1 3.34Å; Y299-E308 PolarHBondContact OH-OE1 2.67Å; Y299-E308 PolarHBondContact OH-OE2 2.87Å
300	S	97.3	Very high	97.7	Very high	105 Å²	105	34.8 Å²	34.8	73%	0.734	20%	0.202	S	C	*	.	S	Bend	trans	-70.9	-21	-179.5	56.3	0	0	0	0	114.2	N304	S300-N304 PolarHBondContact OG-ND2 3.1Å
301	S	98.1	Very high	97.5	Very high	12 Å²	12	35 Å²	35	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-160.2	164.1	175.8	67.5	0	0	0	0	111	Y299 A303 N304 Y305	Y299-S301 VanDerWaalsContact C-N 3.27Å; Y299-S301 PolarHBondContact O-N 3Å; S301-A303 VanDerWaalsContact C-N 3.28Å; S301-A303 PolarHBondContact O-N 2.8Å; S301-N304 PolarHBondContact O-N 3.06Å; S301-N304 PolarHBondContact OG-N 3.37Å; S301-N304 VanDerWaalsContact OG-N 3.13Å; S301-N304 PolarHBondContact OG-ND2 2.8Å; S301-Y305 PolarHBondContact O-N 2.95Å
302	H	98.2	Very high	97.5	Very high	14 Å²	14	34 Å²	34	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-40	171.8	-178.6	73.6	0	0	0	111.7	R290 A294 N304 Y305 V306 H592 D633	R290-H302 HydrophobicContact CB-CB 3.98Å; A294-H302 HydrophobicContact CB-CB 4.49Å; H302-N304 PolarHBondContact O-N 3.38Å; H302-Y305 WeakPolarHBondContact O-CB 3.25Å; H302-Y305 PolarHBondContact O-N 3.24Å; H302-Y305 VanDerWaalsContact O-N 3.15Å; H302-V306 WeakPolarHBondContact NE2-CG2 3.47Å; H302-V306 WeakPolarHBondContact O-CG2 3.48Å; H302-V306 PolarHBondContact O-N 2.85Å; H302-H592 HydrophobicContact CB-CB 4.41Å; H302-H592 AromaticContact CD2-CD2 3.45Å; H302-H592 PolarHBondContact CD2-CD2 2.8Å; H302-H592 VanDerWaalsContact CD2-CD2 3.45Å; H302-H592 AromaticContact CD2-CG 3.84Å; H302-H592 PolarHBondContact N-O 2.8Å; H302-D633 IonicContact CD2-OD2 3.98Å; H302-D633 IonicContact CE1-OD2 3.27Å; H302-D633 PolarHBondContact CE1-OD2 3.21Å; H302-D633 VanDerWaalsContact CE1-OD2 3.31Å; H302-D633 IonicContact NE2-OD2 3.76Å; H302-D633 PolarHBondContact NE2-OD2 3.21Å
303	A	98.1	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-44.5	175.6	0	0	0	0	0	112	S301 Y305 V306 L307 T315 H592	S301-A303 VanDerWaalsContact C-N 3.28Å; S301-A303 PolarHBondContact O-N 2.8Å; A303-Y305 VanDerWaalsContact C-N 3.34Å; A303-Y305 PolarHBondContact O-N 3.17Å; A303-V306 PolarHBondContact O-N 2.79Å; A303-L307 WeakPolarHBondContact O-CB 3.31Å; A303-L307 WeakPolarHBondContact O-CD1 3.45Å; A303-L307 WeakPolarHBondContact O-CG 3.47Å; A303-L307 PolarHBondContact O-N 3.36Å; A303-T315 HydrophobicContact CB-CG2 3.46Å; A303-T315 VanDerWaalsContact CB-CG2 3.46Å; A303-H592 HydrophobicContact CB-CB 4.09Å; A303-H592 PolarHBondContact N-O 3.4Å
304	N	98.1	Very high	97.3	Very high	26 Å²	26	37.6 Å²	37.6	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-67.6	-33	175.5	-79.7	-46.9	0	0	0	113.1	S300 S301 H302 V306 E308 H314 T315	S300-N304 PolarHBondContact OG-ND2 3.1Å; S301-N304 PolarHBondContact O-N 3.06Å; S301-N304 PolarHBondContact OG-N 3.37Å; S301-N304 VanDerWaalsContact OG-N 3.13Å; S301-N304 PolarHBondContact OG-ND2 2.8Å; H302-N304 PolarHBondContact O-N 3.38Å; N304-V306 VanDerWaalsContact C-N 3.34Å; N304-E308 PolarHBondContact O-N 2.81Å; N304-H314 WeakPolarHBondContact OD1-CA 3.26Å; N304-H314 WeakPolarHBondContact OD1-CB 3.4Å; N304-T315 PolarHBondContact ND2-OG1 3.02Å; N304-T315 PolarHBondContact OD1-N 3.02Å; N304-T315 PolarHBondContact OD1-OG1 3.06Å
305	Y	97.9	Very high	97.3	Very high	37 Å²	37	39.2 Å²	39.2	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-46.2	169.7	167.2	-103.6	0	0	0	111.1	R175 L297 Y299 S301 H302 A303	R175-Y305 HydrophobicContact CB-CE2 4Å; R175-Y305 HydrophobicContact CG-CE2 4.32Å; R175-Y305 VanDerWaalsContact CZ-O 3.23Å; R175-Y305 PolarHBondContact NH1-O 3.39Å; R175-Y305 PolarHBondContact NH2-O 2.83Å; R175-Y305 PolarHBondContact O-OH 2.85Å; L297-Y305 HydrophobicContact CD1-CD2 4.13Å; L297-Y305 HydrophobicContact CD1-CE2 3.69Å; Y299-Y305 AromaticContact CD2-CD2 3.78Å; Y299-Y305 HydrophobicContact CD2-CD2 3.78Å; Y299-Y305 HydrophobicContact CD2-CG 4.45Å; Y299-Y305 HydrophobicContact CE1-CD2 4.5Å; Y299-Y305 AromaticContact CE2-CD2 3.63Å; Y299-Y305 HydrophobicContact CE2-CD2 3.63Å; Y299-Y305 HydrophobicContact CE2-CE2 4.33Å; Y299-Y305 HydrophobicContact CG-CD2 4.29Å; S301-Y305 PolarHBondContact O-N 2.95Å; H302-Y305 WeakPolarHBondContact O-CB 3.25Å; H302-Y305 PolarHBondContact O-N 3.24Å; H302-Y305 VanDerWaalsContact O-N 3.15Å; A303-Y305 VanDerWaalsContact C-N 3.34Å; A303-Y305 PolarHBondContact O-N 3.17Å
306	V	97.3	Very high	97.3	Very high	11 Å²	11	35 Å²	35	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-69.5	-48.1	-178.3	177.4	0	0	0	0	111.4	H302 A303 N304 E308 I309 N310 Q635	H302-V306 WeakPolarHBondContact NE2-CG2 3.47Å; H302-V306 WeakPolarHBondContact O-CG2 3.48Å; H302-V306 PolarHBondContact O-N 2.85Å; A303-V306 PolarHBondContact O-N 2.79Å; N304-V306 VanDerWaalsContact C-N 3.34Å; V306-E308 VanDerWaalsContact C-N 3.27Å; V306-E308 PolarHBondContact O-N 3.33Å; V306-E308 VanDerWaalsContact O-N 3.17Å; V306-I309 WeakPolarHBondContact O-CG1 3.46Å; V306-N310 PolarHBondContact O-OD1 3.2Å; V306-N310 VanDerWaalsContact O-OD1 3.04Å; V306-Q635 HydrophobicContact CG1-CG 3.28Å; V306-Q635 VanDerWaalsContact CG1-NE2 3.3Å
307	L	97.8	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-19.3	-171.6	-66.6	170.4	0	0	0	115.2	A303 I309 N310 A312 K313 H314 T315 V318 Y637	A303-L307 WeakPolarHBondContact O-CB 3.31Å; A303-L307 WeakPolarHBondContact O-CD1 3.45Å; A303-L307 WeakPolarHBondContact O-CG 3.47Å; A303-L307 PolarHBondContact O-N 3.36Å; L307-I309 PolarHBondContact O-N 3.3Å; L307-I309 VanDerWaalsContact O-N 3.11Å; L307-N310 HydrophobicContact CD2-CB 4.43Å; L307-N310 WeakPolarHBondContact O-CB 3.14Å; L307-N310 PolarHBondContact O-N 3.35Å; L307-A312 HydrophobicContact CD2-CB 4.42Å; L307-K313 CarbonylContact C-O 3.48Å; L307-K313 VanDerWaalsContact C-O 3.32Å; L307-K313 CarbonylContact O-C 3.6Å; L307-K313 WeakPolarHBondContact O-CA 3.42Å; L307-K313 PolarHBondContact O-N 3.46Å; L307-H314 VanDerWaalsContact CD1-C 3.45Å; L307-T315 HydrophobicContact CD1-CG2 3.75Å; L307-V318 HydrophobicContact CD1-CG2 3.77Å; L307-V318 HydrophobicContact CD2-CG2 3.76Å; L307-V318 HydrophobicContact CG-CG2 4.44Å; L307-Y637 HydrophobicContact CD2-CD1 4.38Å; L307-Y637 HydrophobicContact CD2-CE1 3.3Å; L307-Y637 VanDerWaalsContact CD2-OH 3.23Å; L307-Y637 WeakPolarHBondContact CD2-OH 3.41Å
308	E	97.3	Very high	97.2	Very high	71 Å²	71	35.9 Å²	35.9	33%	0.332	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.6	179.7	178.7	-171.3	-110.1	0	0	112.7	R175 Y299 N304 V306 K313	R175-E308 VanDerWaalsContact CD-OE2 3.29Å; R175-E308 WeakPolarHBondContact CD-OE2 3.47Å; R175-E308 WeakPolarHBondContact CG-OE2 3.5Å; R175-E308 IonicContact CZ-OE2 3.43Å; R175-E308 IonicContact NE-OE2 2.63Å; R175-E308 IonicContact NH1-OE2 3.59Å; R175-E308 PolarHBondContact NH1-OE2 2.71Å; Y299-E308 HydrophobicContact CE1-CB 4.41Å; Y299-E308 WeakPolarHBondContact CE1-OE1 3.34Å; Y299-E308 PolarHBondContact OH-OE1 2.67Å; Y299-E308 PolarHBondContact OH-OE2 2.87Å; N304-E308 PolarHBondContact O-N 2.81Å; V306-E308 VanDerWaalsContact C-N 3.27Å; V306-E308 PolarHBondContact O-N 3.33Å; V306-E308 VanDerWaalsContact O-N 3.17Å; E308-K313 PolarHBondContact N-O 3.27Å
309	I	95.6	Very high	97.2	Very high	41 Å²	41	34.8 Å²	34.8	21%	0.21	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.9	-177.7	60.9	165.5	0	0	0	113.8	T171 V306 L307 E524	T171-I309 HydrophobicContact CG2-CG2 4.27Å; V306-I309 WeakPolarHBondContact O-CG1 3.46Å; L307-I309 PolarHBondContact O-N 3.3Å; L307-I309 VanDerWaalsContact O-N 3.11Å; I309-E524 WeakPolarHBondContact O-CG 3.47Å
310	N	96.7	Very high	97.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-90.5	170.2	173.9	-72	89.8	0	0	0	110.8	V306 L307 A312 K313 T525 D526 Q635	V306-N310 PolarHBondContact O-OD1 3.2Å; V306-N310 VanDerWaalsContact O-OD1 3.04Å; L307-N310 HydrophobicContact CD2-CB 4.43Å; L307-N310 WeakPolarHBondContact O-CB 3.14Å; L307-N310 PolarHBondContact O-N 3.35Å; N310-A312 VanDerWaalsContact C-N 3.28Å; N310-K313 VanDerWaalsContact O-CD 3.3Å; N310-K313 WeakPolarHBondContact O-CD 3.36Å; N310-K313 WeakPolarHBondContact O-CE 3.47Å; N310-K313 PolarHBondContact O-NZ 2.86Å; N310-T525 WeakPolarHBondContact ND2-CB 3.45Å; N310-D526 WeakPolarHBondContact CA-OD1 3.26Å; N310-D526 WeakPolarHBondContact CB-OD1 3.3Å; N310-D526 PolarHBondContact ND2-OD1 3.21Å; N310-Q635 PolarHBondContact ND2-OE1 2.98Å; N310-Q635 PolarHBondContact OD1-OE1 2.93Å
311	M	96	Very high	97	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.054	17%	0.173	C	C	.	.	S	Bend	trans	-63.2	-37.3	170.1	-63.9	176.2	72.2	0	0	111.3	K313 E524 D526 F527 W641 Y645 M682 L685	M311-K313 VanDerWaalsContact C-N 3.28Å; M311-K313 PolarHBondContact O-N 3.22Å; M311-E524 HydrophobicContact CG-CB 4.01Å; M311-E524 HydrophobicContact CG-CG 4.22Å; M311-D526 WeakPolarHBondContact CB-OD2 3.15Å; M311-D526 VanDerWaalsContact N-CG 3.33Å; M311-D526 PolarHBondContact N-OD1 3.3Å; M311-D526 PolarHBondContact N-OD2 2.79Å; M311-D526 VanDerWaalsContact N-OD2 3.13Å; M311-F527 HydrophobicContact CE-CD2 4.05Å; M311-F527 HydrophobicContact CG-CB 4.17Å; M311-F527 HydrophobicContact SD-CB 3.53Å; M311-F527 VanDerWaalsContact SD-CB 3.53Å; M311-F527 HydrophobicContact SD-CD2 3.56Å; M311-F527 VanDerWaalsContact SD-CD2 3.56Å; M311-F527 HydrophobicContact SD-CG 3.98Å; M311-W641 HydrophobicContact CB-CZ2 4.42Å; M311-Y645 HydrophobicContact CE-CD2 4.26Å; M311-Y645 HydrophobicContact CE-CE2 4.2Å; M311-M682 HydrophobicContact CE-CB 3.99Å; M311-M682 HydrophobicContact CE-CE 3.9Å; M311-M682 VanDerWaalsContact CE-N 3.35Å; M311-M682 HydrophobicContact CE-SD 4.39Å; M311-L685 HydrophobicContact CE-CD1 3.46Å; M311-L685 VanDerWaalsContact CE-CD1 3.46Å; M311-L685 HydrophobicContact CE-CG 4.38Å
312	A	96.6	Very high	96.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	17%	0.17	C	C	.	.	S	Bend	trans	-69.3	-20.5	-176.9	0	0	0	0	0	114.2	L307 N310 H314 N317 V318 D526 Y637 W641	L307-A312 HydrophobicContact CD2-CB 4.42Å; N310-A312 VanDerWaalsContact C-N 3.28Å; A312-H314 PolarHBondContact O-N 3.37Å; A312-N317 VanDerWaalsContact O-CB 3.24Å; A312-N317 WeakPolarHBondContact O-CB 3.3Å; A312-N317 PolarHBondContact O-ND2 3.01Å; A312-V318 HydrophobicContact CB-CG2 3.6Å; A312-D526 PolarHBondContact N-OD2 2.69Å; A312-Y637 HydrophobicContact CB-CE2 3.86Å; A312-Y637 VanDerWaalsContact CB-OH 3.25Å; A312-Y637 WeakPolarHBondContact CB-OH 3.45Å; A312-W641 HydrophobicContact CB-CH2 3.86Å; A312-W641 HydrophobicContact CB-CZ2 4.12Å; A312-W641 HydrophobicContact CB-CZ3 4.08Å
313	K	95.9	Very high	96.8	Very high	86 Å²	86	32.3 Å²	32.3	37%	0.374	18%	0.183	S	C	.	.			trans	65.1	-41.8	177.1	-53.3	-59.4	171.7	-160.6	0	117.4	L307 E308 N310 M311	L307-K313 CarbonylContact C-O 3.48Å; L307-K313 VanDerWaalsContact C-O 3.32Å; L307-K313 CarbonylContact O-C 3.6Å; L307-K313 WeakPolarHBondContact O-CA 3.42Å; L307-K313 PolarHBondContact O-N 3.46Å; E308-K313 PolarHBondContact N-O 3.27Å; N310-K313 VanDerWaalsContact O-CD 3.3Å; N310-K313 WeakPolarHBondContact O-CD 3.36Å; N310-K313 WeakPolarHBondContact O-CE 3.47Å; N310-K313 PolarHBondContact O-NZ 2.86Å; M311-K313 VanDerWaalsContact C-N 3.28Å; M311-K313 PolarHBondContact O-N 3.22Å
314	H	96.8	Very high	96.5	Very high	84 Å²	84	34.5 Å²	34.5	39%	0.389	20%	0.201	S	C	.	.	S	Bend	trans	-157.8	163.2	-177	59.6	68.6	0	0	0	112.8	N304 L307 A312 G316 N317	N304-H314 WeakPolarHBondContact OD1-CA 3.26Å; N304-H314 WeakPolarHBondContact OD1-CB 3.4Å; L307-H314 VanDerWaalsContact CD1-C 3.45Å; A312-H314 PolarHBondContact O-N 3.37Å; H314-G316 VanDerWaalsContact C-N 3.26Å; H314-G316 PolarHBondContact ND1-N 3.17Å; H314-G316 PolarHBondContact O-N 2.92Å; H314-G316 VanDerWaalsContact O-N 3.17Å; H314-N317 PolarHBondContact CE1-N 2.86Å; H314-N317 PolarHBondContact CE1-ND2 3.36Å; H314-N317 VanDerWaalsContact CE1-ND2 3.34Å; H314-N317 PolarHBondContact CE1-OD1 3.49Å; H314-N317 PolarHBondContact ND1-N 3.43Å; H314-N317 PolarHBondContact NE2-ND2 3.05Å; H314-N317 PolarHBondContact O-N 3.22Å; H314-N317 VanDerWaalsContact O-N 3.13Å
315	T	97.4	Very high	96.3	Very high	34 Å²	34	33.3 Å²	33.3	21%	0.209	19%	0.194	C	C	.	.	H	α-helix	trans	-58.8	-34.1	-173.8	54.2	0	0	0	0	113.5	A303 N304 L307 N317 V318 S319	A303-T315 HydrophobicContact CB-CG2 3.46Å; A303-T315 VanDerWaalsContact CB-CG2 3.46Å; N304-T315 PolarHBondContact ND2-OG1 3.02Å; N304-T315 PolarHBondContact OD1-N 3.02Å; N304-T315 PolarHBondContact OD1-OG1 3.06Å; L307-T315 HydrophobicContact CD1-CG2 3.75Å; T315-N317 VanDerWaalsContact C-N 3.33Å; T315-N317 PolarHBondContact O-N 2.75Å; T315-V318 PolarHBondContact O-N 3.17Å; T315-S319 PolarHBondContact O-N 3.01Å; T315-S319 PolarHBondContact O-OG 3.11Å
316	G	97.6	Very high	96.1	Very high	35 Å²	35	33.1 Å²	33.1	36%	0.361	19%	0.194	S	C	.	.	H	α-helix	trans	-58.3	-37.3	177.4	0	0	0	0	0	114.6	H314 S319 G320	H314-G316 VanDerWaalsContact C-N 3.26Å; H314-G316 PolarHBondContact ND1-N 3.17Å; H314-G316 PolarHBondContact O-N 2.92Å; H314-G316 VanDerWaalsContact O-N 3.17Å; G316-S319 WeakPolarHBondContact CA-OG 3.39Å; G316-S319 PolarHBondContact O-OG 2.9Å; G316-G320 PolarHBondContact O-N 3.13Å
317	N	96.8	Very high	96	Very high	73 Å²	73	37.5 Å²	37.5	39%	0.39	22%	0.217	S	C	.	.	H	α-helix	trans	-73.8	-39.2	177.8	-71.3	-18.7	0	0	0	110.8	A312 H314 T315 G320 F321	A312-N317 VanDerWaalsContact O-CB 3.24Å; A312-N317 WeakPolarHBondContact O-CB 3.3Å; A312-N317 PolarHBondContact O-ND2 3.01Å; H314-N317 PolarHBondContact CE1-N 2.86Å; H314-N317 PolarHBondContact CE1-ND2 3.36Å; H314-N317 VanDerWaalsContact CE1-ND2 3.34Å; H314-N317 PolarHBondContact CE1-OD1 3.49Å; H314-N317 PolarHBondContact ND1-N 3.43Å; H314-N317 PolarHBondContact NE2-ND2 3.05Å; H314-N317 PolarHBondContact O-N 3.22Å; H314-N317 VanDerWaalsContact O-N 3.13Å; T315-N317 VanDerWaalsContact C-N 3.33Å; T315-N317 PolarHBondContact O-N 2.75Å; N317-G320 PolarHBondContact O-N 2.63Å; N317-F321 WeakPolarHBondContact O-CB 3.16Å; N317-F321 PolarHBondContact O-N 3.31Å
318	V	97.3	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-47.7	175.2	179	0	0	0	0	110.7	L307 A312 T315 G320 F321 I322 Q589 Y637	L307-V318 HydrophobicContact CD1-CG2 3.77Å; L307-V318 HydrophobicContact CD2-CG2 3.76Å; L307-V318 HydrophobicContact CG-CG2 4.44Å; A312-V318 HydrophobicContact CB-CG2 3.6Å; T315-V318 PolarHBondContact O-N 3.17Å; V318-G320 PolarHBondContact O-N 2.88Å; V318-F321 PolarHBondContact O-N 2.67Å; V318-I322 HydrophobicContact CG1-CD1 3.61Å; V318-I322 HydrophobicContact CG1-CG1 4.29Å; V318-I322 VanDerWaalsContact O-CG1 3.27Å; V318-I322 WeakPolarHBondContact O-CG1 3.27Å; V318-I322 PolarHBondContact O-N 2.73Å; V318-Q589 HydrophobicContact CG1-CG 3.82Å; V318-Y637 HydrophobicContact CG1-CD1 3.8Å; V318-Y637 HydrophobicContact CG1-CD2 3.91Å; V318-Y637 HydrophobicContact CG1-CE1 4.41Å; V318-Y637 HydrophobicContact CG1-CG 3.54Å; V318-Y637 HydrophobicContact CG2-CD1 4.08Å; V318-Y637 HydrophobicContact CG2-CD2 4.06Å; V318-Y637 HydrophobicContact CG2-CE1 3.84Å; V318-Y637 HydrophobicContact CG2-CE2 3.82Å; V318-Y637 HydrophobicContact CG2-CG 4.21Å
319	S	96.4	Very high	95.5	Very high	47 Å²	47	38 Å²	38	33%	0.329	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-46.5	177.5	58	0	0	0	0	111.5	T315 G316 F321 I322 D323	T315-S319 PolarHBondContact O-N 3.01Å; T315-S319 PolarHBondContact O-OG 3.11Å; G316-S319 WeakPolarHBondContact CA-OG 3.39Å; G316-S319 PolarHBondContact O-OG 2.9Å; S319-F321 VanDerWaalsContact C-N 3.32Å; S319-F321 PolarHBondContact O-N 3.3Å; S319-I322 PolarHBondContact O-N 3.06Å; S319-D323 VanDerWaalsContact O-CB 3.3Å; S319-D323 WeakPolarHBondContact O-CB 3.49Å; S319-D323 VanDerWaalsContact O-CG 3.25Å; S319-D323 PolarHBondContact O-N 2.92Å
320	G	96.2	Very high	95.5	Very high	40 Å²	40	40.6 Å²	40.6	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-42.5	177.6	0	0	0	0	0	112.7	G316 N317 V318 A324	G316-G320 PolarHBondContact O-N 3.13Å; N317-G320 PolarHBondContact O-N 2.63Å; V318-G320 PolarHBondContact O-N 2.88Å; G320-A324 VanDerWaalsContact O-CB 3.29Å; G320-A324 WeakPolarHBondContact O-CB 3.22Å; G320-A324 PolarHBondContact O-N 3Å; G320-A324 VanDerWaalsContact O-N 3.12Å
321	F	95.4	Very high	95.4	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.066	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-52	174.8	169.7	-94	0	0	0	112.2	N317 V318 S319 F325 L640 W641 V644 Q695	N317-F321 WeakPolarHBondContact O-CB 3.16Å; N317-F321 PolarHBondContact O-N 3.31Å; V318-F321 PolarHBondContact O-N 2.67Å; S319-F321 VanDerWaalsContact C-N 3.32Å; S319-F321 PolarHBondContact O-N 3.3Å; F321-F325 VanDerWaalsContact O-CB 3.24Å; F321-F325 WeakPolarHBondContact O-CB 3.25Å; F321-F325 PolarHBondContact O-N 3.45Å; F321-L640 HydrophobicContact CE1-CB 4.38Å; F321-L640 HydrophobicContact CE1-CD2 4.02Å; F321-L640 HydrophobicContact CE1-CG 3.96Å; F321-L640 HydrophobicContact CZ-CG 4.14Å; F321-W641 HydrophobicContact CB-CE3 3.97Å; F321-W641 HydrophobicContact CB-CZ3 3.62Å; F321-W641 AromaticContact CD1-CE3 3.78Å; F321-W641 HydrophobicContact CD1-CE3 3.78Å; F321-W641 HydrophobicContact CD1-CZ3 4.34Å; F321-W641 AromaticContact CD2-CE3 3.8Å; F321-W641 HydrophobicContact CD2-CE3 3.8Å; F321-W641 HydrophobicContact CD2-CZ3 4.01Å; F321-W641 HydrophobicContact CE1-CB 4.34Å; F321-W641 HydrophobicContact CE1-CE3 4.23Å; F321-W641 HydrophobicContact CE2-CE3 4.24Å; F321-W641 AromaticContact CG-CE3 3.57Å; F321-W641 HydrophobicContact CG-CE3 3.57Å; F321-W641 AromaticContact CG-CZ3 3.74Å; F321-W641 HydrophobicContact CG-CZ3 3.74Å; F321-W641 HydrophobicContact CZ-CB 4.34Å; F321-W641 HydrophobicContact CZ-CE3 4.45Å; F321-V644 HydrophobicContact CE2-CB 4.11Å; F321-V644 HydrophobicContact CE2-CG1 4.1Å; F321-V644 HydrophobicContact CE2-CG2 4.12Å; F321-V644 HydrophobicContact CZ-CB 4.12Å; F321-V644 HydrophobicContact CZ-CG2 3.81Å; F321-Q695 HydrophobicContact CE2-CG 4.45Å; F321-Q695 VanDerWaalsContact CE2-NE2 3.32Å; F321-Q695 PolarHBondContact O-NE2 3.46Å
322	I	95.7	Very high	95.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-39.9	-175.9	-62.3	169.3	0	0	0	111	V318 S319 F325 Y326 V582 K586 Q589	V318-I322 HydrophobicContact CG1-CD1 3.61Å; V318-I322 HydrophobicContact CG1-CG1 4.29Å; V318-I322 VanDerWaalsContact O-CG1 3.27Å; V318-I322 WeakPolarHBondContact O-CG1 3.27Å; V318-I322 PolarHBondContact O-N 2.73Å; S319-I322 PolarHBondContact O-N 3.06Å; I322-F325 PolarHBondContact O-N 2.9Å; I322-Y326 WeakPolarHBondContact O-CB 3.49Å; I322-Y326 PolarHBondContact O-N 3.15Å; I322-V582 HydrophobicContact CG2-CB 4.45Å; I322-V582 HydrophobicContact CG2-CG1 3.68Å; I322-V582 HydrophobicContact CG2-CG2 4.45Å; I322-K586 HydrophobicContact CG2-CD 4.13Å; I322-K586 VanDerWaalsContact CG2-CE 3.44Å; I322-K586 HydrophobicContact CG2-CG 3.88Å; I322-Q589 HydrophobicContact CD1-CG 4.48Å
323	D	95.6	Very high	95.1	Very high	65 Å²	65	44.6 Å²	44.6	35%	0.348	25%	0.25	S	S	.	.	H	α-helix	trans	-67.7	-46.9	-179.4	-71.2	-34.5	0	0	0	111.6	S319 F325 Y326 D327 K586	S319-D323 VanDerWaalsContact O-CB 3.3Å; S319-D323 WeakPolarHBondContact O-CB 3.49Å; S319-D323 VanDerWaalsContact O-CG 3.25Å; S319-D323 PolarHBondContact O-N 2.92Å; D323-F325 PolarHBondContact O-N 3.19Å; D323-Y326 PolarHBondContact O-N 3.42Å; D323-D327 PolarHBondContact O-N 2.88Å; D323-K586 WeakPolarHBondContact OD1-CE 3.24Å; D323-K586 IonicContact OD1-NZ 2.71Å; D323-K586 PolarHBondContact OD1-NZ 2.89Å; D323-K586 IonicContact OD2-NZ 3.35Å; D323-K586 PolarHBondContact OD2-NZ 3.19Å
324	A	92.8	Very high	95.1	Very high	46 Å²	46	44.6 Å²	44.6	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-59.5	-37.6	174.4	0	0	0	0	0	112	G320	G320-A324 VanDerWaalsContact O-CB 3.29Å; G320-A324 WeakPolarHBondContact O-CB 3.22Å; G320-A324 PolarHBondContact O-N 3Å; G320-A324 VanDerWaalsContact O-N 3.12Å
325	F	92.6	Very high	94.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.6	-43.2	177.5	-169	-97.8	0	0	0	112.2	F321 I322 D323 R328 L329 N578 V582 L640 V644 F698 F699	F321-F325 VanDerWaalsContact O-CB 3.24Å; F321-F325 WeakPolarHBondContact O-CB 3.25Å; F321-F325 PolarHBondContact O-N 3.45Å; I322-F325 PolarHBondContact O-N 2.9Å; D323-F325 PolarHBondContact O-N 3.19Å; F325-R328 PolarHBondContact O-N 2.83Å; F325-L329 HydrophobicContact CD1-CD1 3.59Å; F325-L329 HydrophobicContact CD1-CG 4.25Å; F325-L329 HydrophobicContact CE1-CD1 3.18Å; F325-L329 HydrophobicContact CE1-CG 4.02Å; F325-L329 HydrophobicContact CZ-CD1 3.92Å; F325-L329 HydrophobicContact CZ-CG 4.44Å; F325-L329 WeakPolarHBondContact O-CG 3.47Å; F325-L329 PolarHBondContact O-N 3.27Å; F325-L329 VanDerWaalsContact O-N 3.16Å; F325-N578 HydrophobicContact CE1-CB 4.12Å; F325-N578 HydrophobicContact CZ-CB 4.41Å; F325-V582 HydrophobicContact CD1-CG2 3.73Å; F325-V582 HydrophobicContact CE1-CG2 4.13Å; F325-L640 HydrophobicContact CD1-CD1 4.4Å; F325-L640 HydrophobicContact CD1-CD2 3.64Å; F325-L640 HydrophobicContact CD1-CG 4.41Å; F325-L640 HydrophobicContact CE1-CD1 3.59Å; F325-L640 HydrophobicContact CE1-CD2 3.61Å; F325-L640 HydrophobicContact CE1-CG 4.06Å; F325-L640 HydrophobicContact CE2-CD1 4.31Å; F325-L640 HydrophobicContact CG-CD2 4.28Å; F325-L640 HydrophobicContact CZ-CD1 3.56Å; F325-L640 HydrophobicContact CZ-CD2 4.32Å; F325-L640 HydrophobicContact CZ-CG 4.28Å; F325-V644 HydrophobicContact CD2-CG2 4.09Å; F325-V644 HydrophobicContact CE2-CG2 3.66Å; F325-V644 HydrophobicContact CZ-CG2 4.44Å; F325-F698 AromaticContact CE2-CD1 3.52Å; F325-F698 HydrophobicContact CE2-CD1 3.52Å; F325-F698 AromaticContact CE2-CE1 3.44Å; F325-F698 HydrophobicContact CE2-CE1 3.44Å; F325-F698 VanDerWaalsContact CE2-CE1 3.44Å; F325-F698 HydrophobicContact CE2-CG 4.16Å; F325-F698 AromaticContact CE2-CZ 3.99Å; F325-F698 HydrophobicContact CE2-CZ 3.99Å; F325-F698 AromaticContact CZ-CD1 3.9Å; F325-F698 HydrophobicContact CZ-CD1 3.9Å; F325-F698 AromaticContact CZ-CE1 3.28Å; F325-F698 HydrophobicContact CZ-CE1 3.28Å; F325-F698 HydrophobicContact CZ-CE2 4.34Å; F325-F698 AromaticContact CZ-CZ 3.54Å; F325-F698 HydrophobicContact CZ-CZ 3.54Å; F325-F699 AromaticContact CD2-CE2 3.65Å; F325-F699 HydrophobicContact CD2-CE2 3.65Å; F325-F699 AromaticContact CD2-CZ 3.53Å; F325-F699 HydrophobicContact CD2-CZ 3.53Å; F325-F699 AromaticContact CE2-CE2 3.76Å; F325-F699 HydrophobicContact CE2-CE2 3.76Å; F325-F699 AromaticContact CE2-CZ 3.64Å; F325-F699 HydrophobicContact CE2-CZ 3.64Å; F325-F699 HydrophobicContact CG-CZ 4.18Å; F325-F699 HydrophobicContact CZ-CZ 4.37Å
326	Y	95.1	Very high	94.8	Very high	33 Å²	33	48.3 Å²	48.3	13%	0.129	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-46.5	174.6	167.5	-107.9	0	0	0	112.2	I322 D323 R328 L329 K330 L579 V582 D609 I610	I322-Y326 WeakPolarHBondContact O-CB 3.49Å; I322-Y326 PolarHBondContact O-N 3.15Å; D323-Y326 PolarHBondContact O-N 3.42Å; Y326-R328 PolarHBondContact O-N 3.16Å; Y326-L329 PolarHBondContact O-N 3.44Å; Y326-K330 HydrophobicContact CE1-CD 4Å; Y326-K330 HydrophobicContact CE2-CB 4.26Å; Y326-K330 HydrophobicContact CE2-CG 4.44Å; Y326-K330 WeakPolarHBondContact O-CB 3.21Å; Y326-K330 PolarHBondContact O-N 2.99Å; Y326-K330 WeakPolarHBondContact OH-CE 3.4Å; Y326-K330 PolarHBondContact OH-NZ 2.73Å; Y326-L579 HydrophobicContact CD2-CD2 3.6Å; Y326-L579 HydrophobicContact CE2-CD2 3.94Å; Y326-V582 HydrophobicContact CD2-CG1 4.46Å; Y326-D609 PolarHBondContact OH-O 2.92Å; Y326-I610 HydrophobicContact CD2-CB 4.38Å; Y326-I610 HydrophobicContact CD2-CG1 4.34Å; Y326-I610 HydrophobicContact CD2-CG2 3.76Å; Y326-I610 HydrophobicContact CE2-CB 4.04Å; Y326-I610 HydrophobicContact CE2-CG1 4.11Å; Y326-I610 HydrophobicContact CE2-CG2 3.83Å
327	D	94.1	Very high	94.8	Very high	104 Å²	104	48.9 Å²	48.9	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-58.2	-38	-177	-78	-22.2	0	0	0	112.1	D323 P331	D323-D327 PolarHBondContact O-N 2.88Å; D327-P331 WeakPolarHBondContact O-CD 3.47Å
328	R	92.9	Very high	94.8	Very high	82 Å²	82	53.3 Å²	53.3	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-73	-35.7	175.4	-64.9	175.9	69.5	161.3	9.3	112.7	F325 Y326 P331 D696 F699	F325-R328 PolarHBondContact O-N 2.83Å; Y326-R328 PolarHBondContact O-N 3.16Å; R328-P331 WeakPolarHBondContact O-CD 3.42Å; R328-P331 WeakPolarHBondContact O-CG 3.22Å; R328-D696 IonicContact CZ-OD1 2.72Å; R328-D696 IonicContact NH1-OD1 2.73Å; R328-D696 PolarHBondContact NH1-OD1 3.01Å; R328-D696 IonicContact NH2-OD1 3.15Å; R328-D696 PolarHBondContact NH2-OD1 3.21Å; R328-F699 HydrophobicContact CB-CD1 4.02Å; R328-F699 HydrophobicContact CB-CE1 3.27Å; R328-F699 HydrophobicContact CB-CE2 4.18Å; R328-F699 HydrophobicContact CB-CZ 3.37Å; R328-F699 HydrophobicContact CG-CE1 4.31Å; R328-F699 HydrophobicContact CG-CE2 4.47Å; R328-F699 HydrophobicContact CG-CZ 4.1Å; R328-F699 VanDerWaalsContact CZ-CE2 3.49Å; R328-F699 VanDerWaalsContact CZ-CG 3.44Å; R328-F699 VanDerWaalsContact NE-CE2 3.29Å; R328-F699 VanDerWaalsContact NH2-CB 3.34Å; R328-F699 VanDerWaalsContact NH2-CD2 3.35Å
329	L	93.3	Very high	94.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-78.3	-30.8	-179.9	-75.7	-176.9	0	0	0	114.6	F325 Y326 I332 G333 N578 L579 V582 F699 L704	F325-L329 HydrophobicContact CD1-CD1 3.59Å; F325-L329 HydrophobicContact CD1-CG 4.25Å; F325-L329 HydrophobicContact CE1-CD1 3.18Å; F325-L329 HydrophobicContact CE1-CG 4.02Å; F325-L329 HydrophobicContact CZ-CD1 3.92Å; F325-L329 HydrophobicContact CZ-CG 4.44Å; F325-L329 WeakPolarHBondContact O-CG 3.47Å; F325-L329 PolarHBondContact O-N 3.27Å; F325-L329 VanDerWaalsContact O-N 3.16Å; Y326-L329 PolarHBondContact O-N 3.44Å; L329-I332 HydrophobicContact CD2-CD1 4.36Å; L329-I332 WeakPolarHBondContact O-CB 3.49Å; L329-I332 PolarHBondContact O-N 3.3Å; L329-G333 PolarHBondContact O-N 3.39Å; L329-N578 HydrophobicContact CD1-CB 3.47Å; L329-N578 VanDerWaalsContact CD1-CB 3.47Å; L329-N578 HydrophobicContact CD2-CB 4.34Å; L329-L579 HydrophobicContact CB-CD2 3.73Å; L329-L579 HydrophobicContact CB-CG 4.04Å; L329-L579 HydrophobicContact CD1-CD2 4.3Å; L329-L579 HydrophobicContact CD1-CG 4.34Å; L329-V582 HydrophobicContact CD1-CG2 4.38Å; L329-F699 HydrophobicContact CD2-CE1 3.93Å; L329-F699 HydrophobicContact CG-CE1 4.08Å; L329-F699 HydrophobicContact CG-CZ 4.46Å; L329-L704 HydrophobicContact CD2-CD1 3.58Å
330	K	94.3	Very high	94.6	Very high	94 Å²	94	55.1 Å²	55.1	41%	0.409	27%	0.273	S	S	.	.	H	α-helix	trans	-47.9	-51.1	-176.6	-175.7	178.6	-171.4	164.3	0	113.8	Y326 I332 G333 I334	Y326-K330 HydrophobicContact CE1-CD 4Å; Y326-K330 HydrophobicContact CE2-CB 4.26Å; Y326-K330 HydrophobicContact CE2-CG 4.44Å; Y326-K330 WeakPolarHBondContact O-CB 3.21Å; Y326-K330 PolarHBondContact O-N 2.99Å; Y326-K330 WeakPolarHBondContact OH-CE 3.4Å; Y326-K330 PolarHBondContact OH-NZ 2.73Å; K330-I332 VanDerWaalsContact C-N 3.31Å; K330-I332 PolarHBondContact O-N 2.99Å; K330-G333 PolarHBondContact O-N 3.36Å; K330-I334 HydrophobicContact CG-CD1 4.2Å; K330-I334 WeakPolarHBondContact O-CG1 3.21Å; K330-I334 PolarHBondContact O-N 2.95Å
331	P	93.9	Very high	94.7	Very high	66 Å²	66	55.8 Å²	55.8	43%	0.429	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-36.1	178.9	23.5	-34.4	0	0	0	113.2	D327 R328 I334 K335	D327-P331 WeakPolarHBondContact O-CD 3.47Å; R328-P331 WeakPolarHBondContact O-CD 3.42Å; R328-P331 WeakPolarHBondContact O-CG 3.22Å; P331-I334 PolarHBondContact O-N 2.96Å; P331-K335 PolarHBondContact O-N 3.43Å
332	I	92.3	Very high	94.8	Very high	31 Å²	31	57.9 Å²	57.9	16%	0.159	29%	0.287	C	S	.	.	H	α-helix	trans	-67.7	-47.6	177.7	-61.9	140.9	0	0	0	110.1	L329 K330 I334 K335 E336 L704	L329-I332 HydrophobicContact CD2-CD1 4.36Å; L329-I332 WeakPolarHBondContact O-CB 3.49Å; L329-I332 PolarHBondContact O-N 3.3Å; K330-I332 VanDerWaalsContact C-N 3.31Å; K330-I332 PolarHBondContact O-N 2.99Å; I332-I334 VanDerWaalsContact C-N 3.29Å; I332-I334 PolarHBondContact O-N 3.48Å; I332-K335 WeakPolarHBondContact O-CB 3.42Å; I332-K335 PolarHBondContact O-N 2.99Å; I332-E336 HydrophobicContact CG2-CG 4.31Å; I332-E336 PolarHBondContact O-N 2.79Å; I332-L704 HydrophobicContact CD1-CB 3.62Å; I332-L704 HydrophobicContact CD1-CD1 4.43Å; I332-L704 HydrophobicContact CD1-CD2 3.74Å; I332-L704 HydrophobicContact CD1-CG 4.09Å; I332-L704 HydrophobicContact CG1-CD2 4.24Å; I332-L704 HydrophobicContact CG2-CD2 3.9Å
333	G	94.4	Very high	94.8	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-40.2	177	0	0	0	0	0	112.9	L329 K330 K335 E336 R337	L329-G333 PolarHBondContact O-N 3.39Å; K330-G333 PolarHBondContact O-N 3.36Å; G333-K335 PolarHBondContact O-N 3.46Å; G333-E336 PolarHBondContact O-N 2.87Å; G333-R337 WeakPolarHBondContact O-CB 3.2Å; G333-R337 WeakPolarHBondContact O-CG 3.03Å; G333-R337 PolarHBondContact O-N 3.09Å
334	I	95.5	Very high	94.9	Very high	87 Å²	87	56.6 Å²	56.6	45%	0.446	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-45.8	174.1	-69.5	165.7	0	0	0	111	K330 P331 I332 R337 K338	K330-I334 HydrophobicContact CG-CD1 4.2Å; K330-I334 WeakPolarHBondContact O-CG1 3.21Å; K330-I334 PolarHBondContact O-N 2.95Å; P331-I334 PolarHBondContact O-N 2.96Å; I332-I334 VanDerWaalsContact C-N 3.29Å; I332-I334 PolarHBondContact O-N 3.48Å; I334-R337 VanDerWaalsContact CG1-NH2 3.3Å; I334-K338 WeakPolarHBondContact O-CB 3.44Å; I334-K338 PolarHBondContact O-N 3.43Å
335	K	94.2	Very high	95.1	Very high	164 Å²	164	60.6 Å²	60.6	71%	0.713	29%	0.289	S	S	*	.	H	α-helix	trans	-64.1	-44.2	179.2	-175.5	-178.5	177.9	-176.4	0	111.8	P331 I332 G333 K338 Y339	P331-K335 PolarHBondContact O-N 3.43Å; I332-K335 WeakPolarHBondContact O-CB 3.42Å; I332-K335 PolarHBondContact O-N 2.99Å; G333-K335 PolarHBondContact O-N 3.46Å; K335-K338 PolarHBondContact O-N 2.98Å; K335-Y339 PolarHBondContact O-N 3.16Å; K335-Y339 VanDerWaalsContact O-N 3.12Å
336	E	94.6	Very high	95.3	Very high	32 Å²	32	68.6 Å²	68.6	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-65	-45.8	177.8	-71.1	-176.4	175	0	0	111.9	I332 G333 K338 Y339 I340 G575 L576	I332-E336 HydrophobicContact CG2-CG 4.31Å; I332-E336 PolarHBondContact O-N 2.79Å; G333-E336 PolarHBondContact O-N 2.87Å; E336-K338 VanDerWaalsContact C-N 3.33Å; E336-K338 PolarHBondContact O-N 3Å; E336-Y339 WeakPolarHBondContact O-CB 3.29Å; E336-Y339 PolarHBondContact O-N 3.27Å; E336-Y339 VanDerWaalsContact O-N 3.12Å; E336-I340 PolarHBondContact O-N 2.82Å; E336-G575 PolarHBondContact OE1-N 2.87Å; E336-G575 VanDerWaalsContact OE1-N 3.16Å; E336-G575 WeakPolarHBondContact OE2-CA 3.27Å; E336-G575 PolarHBondContact OE2-N 3.43Å; E336-L576 HydrophobicContact CB-CD1 3.69Å; E336-L576 HydrophobicContact CB-CG 3.93Å; E336-L576 WeakPolarHBondContact OE2-CG 3.46Å; E336-L576 PolarHBondContact OE2-N 2.88Å
337	R	96.8	Very high	95.3	Very high	47 Å²	47	68 Å²	68	18%	0.177	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-44	174	-73.7	-167.8	-60.4	-86.9	1.9	111.8	G333 I334 Y339 I340 L341 I359 L576 L611 G612	G333-R337 WeakPolarHBondContact O-CB 3.2Å; G333-R337 WeakPolarHBondContact O-CG 3.03Å; G333-R337 PolarHBondContact O-N 3.09Å; I334-R337 VanDerWaalsContact CG1-NH2 3.3Å; R337-Y339 VanDerWaalsContact C-N 3.25Å; R337-Y339 PolarHBondContact O-N 3.08Å; R337-I340 PolarHBondContact O-N 2.96Å; R337-L341 WeakPolarHBondContact O-CB 3.3Å; R337-L341 PolarHBondContact O-N 2.92Å; R337-I359 HydrophobicContact CB-CD1 3.86Å; R337-I359 HydrophobicContact CG-CD1 4.03Å; R337-I359 WeakPolarHBondContact O-CD1 3.37Å; R337-L576 HydrophobicContact CG-CD1 4.15Å; R337-L576 HydrophobicContact CG-CD2 3.67Å; R337-L611 WeakPolarHBondContact CD-O 3.49Å; R337-L611 PolarHBondContact NH1-O 3.3Å; R337-G612 WeakPolarHBondContact CD-O 3.42Å
338	K	96.7	Very high	95.3	Very high	165 Å²	165	63.4 Å²	63.4	72%	0.717	29%	0.293	S	S	*	.	H	α-helix	trans	-58.6	-40.5	177.4	-173.8	178	-179.1	178.3	0	111.6	I334 K335 E336 A342	I334-K338 WeakPolarHBondContact O-CB 3.44Å; I334-K338 PolarHBondContact O-N 3.43Å; K335-K338 PolarHBondContact O-N 2.98Å; E336-K338 VanDerWaalsContact C-N 3.33Å; E336-K338 PolarHBondContact O-N 3Å; K338-A342 PolarHBondContact O-N 3.3Å
339	Y	94.9	Very high	95.4	Very high	85 Å²	85	66.6 Å²	66.6	33%	0.333	32%	0.316	S	S	.	.	H	α-helix	trans	-68.4	-47	177.5	-173.2	-95.8	0	0	0	112	K335 E336 R337 L341 A342 L343 V371 K375	K335-Y339 PolarHBondContact O-N 3.16Å; K335-Y339 VanDerWaalsContact O-N 3.12Å; E336-Y339 WeakPolarHBondContact O-CB 3.29Å; E336-Y339 PolarHBondContact O-N 3.27Å; E336-Y339 VanDerWaalsContact O-N 3.12Å; R337-Y339 VanDerWaalsContact C-N 3.25Å; R337-Y339 PolarHBondContact O-N 3.08Å; Y339-L341 VanDerWaalsContact C-N 3.35Å; Y339-L341 PolarHBondContact O-N 2.87Å; Y339-A342 WeakPolarHBondContact O-CB 3.45Å; Y339-A342 PolarHBondContact O-N 3.33Å; Y339-L343 HydrophobicContact CD1-CD1 4Å; Y339-L343 HydrophobicContact CD1-CG 4.3Å; Y339-L343 HydrophobicContact CE1-CD1 3.61Å; Y339-L343 HydrophobicContact CE1-CD2 4.37Å; Y339-L343 HydrophobicContact CE1-CG 4.01Å; Y339-L343 PolarHBondContact O-N 2.92Å; Y339-V371 HydrophobicContact CD1-CG2 3.75Å; Y339-V371 HydrophobicContact CE1-CB 4.46Å; Y339-V371 HydrophobicContact CE1-CG1 4.31Å; Y339-V371 HydrophobicContact CE1-CG2 3.77Å; Y339-K375 VanDerWaalsContact CZ-CE 3.49Å
340	I	96.6	Very high	95.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.7	-43.9	176.4	-73.6	175.6	0	0	0	111.4	E336 R337 A342 L343 K344 I359 L364 Y367 M368 V371 L576	E336-I340 PolarHBondContact O-N 2.82Å; R337-I340 PolarHBondContact O-N 2.96Å; I340-A342 VanDerWaalsContact C-N 3.28Å; I340-A342 PolarHBondContact O-N 3.43Å; I340-L343 WeakPolarHBondContact O-CB 3.5Å; I340-L343 PolarHBondContact O-N 3.46Å; I340-L343 VanDerWaalsContact O-N 3.15Å; I340-K344 PolarHBondContact O-N 3.48Å; I340-I359 HydrophobicContact CB-CD1 3.91Å; I340-I359 HydrophobicContact CG2-CD1 3.57Å; I340-I359 HydrophobicContact CG2-CG1 3.94Å; I340-I359 HydrophobicContact CG2-CG2 4.25Å; I340-L364 HydrophobicContact CD1-CD1 4.14Å; I340-Y367 VanDerWaalsContact CG2-CB 3.5Å; I340-Y367 HydrophobicContact CG2-CD2 4.16Å; I340-Y367 HydrophobicContact CG2-CG 3.95Å; I340-M368 HydrophobicContact CD1-CG 4.09Å; I340-V371 HydrophobicContact CG1-CG2 3.96Å; I340-L576 HydrophobicContact CD1-CD1 3.59Å
341	L	97.7	Very high	95.3	Very high	54 Å²	54	71.7 Å²	71.7	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-36.4	179	-172.6	64.5	0	0	0	111.9	R337 Y339 K344 K345 F355 I359	R337-L341 WeakPolarHBondContact O-CB 3.3Å; R337-L341 PolarHBondContact O-N 2.92Å; Y339-L341 VanDerWaalsContact C-N 3.35Å; Y339-L341 PolarHBondContact O-N 2.87Å; L341-K344 PolarHBondContact O-N 2.96Å; L341-K345 WeakPolarHBondContact O-CB 3.42Å; L341-K345 PolarHBondContact O-N 3.36Å; L341-F355 HydrophobicContact CD1-CE2 3.81Å; L341-F355 HydrophobicContact CD1-CZ 3.7Å; L341-F355 HydrophobicContact CG-CZ 4.1Å; L341-I359 HydrophobicContact CB-CD1 4.32Å; L341-I359 HydrophobicContact CB-CG1 4.24Å; L341-I359 HydrophobicContact CD1-CG1 4.14Å
342	A	96.8	Very high	95.2	Very high	59 Å²	59	71.8 Å²	71.8	49%	0.488	35%	0.354	S	S	.	.	H	α-helix	trans	-67.2	-39.8	174	0	0	0	0	0	112.3	K338 Y339 I340 K345 R346	K338-A342 PolarHBondContact O-N 3.3Å; Y339-A342 WeakPolarHBondContact O-CB 3.45Å; Y339-A342 PolarHBondContact O-N 3.33Å; I340-A342 VanDerWaalsContact C-N 3.28Å; I340-A342 PolarHBondContact O-N 3.43Å; A342-K345 PolarHBondContact O-N 3.48Å; A342-R346 WeakPolarHBondContact O-CB 3.41Å; A342-R346 PolarHBondContact O-N 3.48Å
343	L	95.7	Very high	95.3	Very high	34 Å²	34	74.1 Å²	74.1	18%	0.178	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-47.2	172.6	-69.1	-179.3	0	0	0	111.1	Y339 I340 K345 R346 E347 Y367 Q370 V371	Y339-L343 HydrophobicContact CD1-CD1 4Å; Y339-L343 HydrophobicContact CD1-CG 4.3Å; Y339-L343 HydrophobicContact CE1-CD1 3.61Å; Y339-L343 HydrophobicContact CE1-CD2 4.37Å; Y339-L343 HydrophobicContact CE1-CG 4.01Å; Y339-L343 PolarHBondContact O-N 2.92Å; I340-L343 WeakPolarHBondContact O-CB 3.5Å; I340-L343 PolarHBondContact O-N 3.46Å; I340-L343 VanDerWaalsContact O-N 3.15Å; L343-K345 PolarHBondContact O-N 2.89Å; L343-R346 PolarHBondContact O-N 3.03Å; L343-E347 PolarHBondContact O-N 3.16Å; L343-Y367 HydrophobicContact CB-CD1 3.91Å; L343-Y367 HydrophobicContact CB-CE1 4.28Å; L343-Q370 HydrophobicContact CD1-CB 4.37Å; L343-V371 HydrophobicContact CD1-CG2 3.86Å
344	K	97.6	Very high	95.3	Very high	6 Å²	6	82.7 Å²	82.7	3%	0.026	40%	0.403	C	S	.	.	H	α-helix	trans	-57.7	-48.9	176.4	179.8	174.3	176.6	-176.9	0	112	I340 L341 R346 E347 C348 F355 D356 Q358 N360 D363 Y367	I340-K344 PolarHBondContact O-N 3.48Å; L341-K344 PolarHBondContact O-N 2.96Å; K344-R346 VanDerWaalsContact C-N 3.29Å; K344-R346 PolarHBondContact O-N 2.87Å; K344-E347 PolarHBondContact O-N 2.82Å; K344-C348 WeakPolarHBondContact O-CB 3.4Å; K344-C348 PolarHBondContact O-N 3.17Å; K344-C348 PolarHBondContact O-SG 3.13Å; K344-F355 HydrophobicContact CB-CE2 4.37Å; K344-F355 HydrophobicContact CD-CD2 4.47Å; K344-F355 HydrophobicContact CD-CE2 4.25Å; K344-F355 HydrophobicContact CG-CD2 4.07Å; K344-F355 HydrophobicContact CG-CE2 3.99Å; K344-D356 WeakPolarHBondContact CE-OD1 3.38Å; K344-D356 IonicContact NZ-OD1 2.71Å; K344-D356 PolarHBondContact NZ-OD1 3.25Å; K344-D356 IonicContact NZ-OD2 2.74Å; K344-D356 PolarHBondContact NZ-OD2 2.92Å; K344-Q358 WeakPolarHBondContact CD-O 3.47Å; K344-Q358 WeakPolarHBondContact CE-O 3.37Å; K344-Q358 PolarHBondContact NZ-O 2.78Å; K344-N360 PolarHBondContact NZ-ND2 3.39Å; K344-D363 WeakPolarHBondContact CE-OD2 3.21Å; K344-D363 IonicContact NZ-OD2 2.69Å; K344-D363 PolarHBondContact NZ-OD2 3.4Å; K344-Y367 VanDerWaalsContact CA-CZ 3.41Å; K344-Y367 WeakPolarHBondContact CA-OH 3.29Å; K344-Y367 HydrophobicContact CB-CD2 4.3Å; K344-Y367 HydrophobicContact CB-CE1 3.96Å; K344-Y367 HydrophobicContact CB-CE2 3.65Å; K344-Y367 VanDerWaalsContact CB-CZ 3.46Å; K344-Y367 HydrophobicContact CD-CE2 4.02Å; K344-Y367 HydrophobicContact CG-CE2 3.81Å; K344-Y367 WeakPolarHBondContact CG-OH 3.44Å
345	K	97.7	Very high	95.4	Very high	130 Å²	130	81.9 Å²	81.9	57%	0.565	40%	0.397	S	S	*	.	H	α-helix	trans	-56.7	-44.1	177.5	-174.8	176.6	-179.1	178	0	111.8	L341 A342 L343 L349 F355	L341-K345 WeakPolarHBondContact O-CB 3.42Å; L341-K345 PolarHBondContact O-N 3.36Å; A342-K345 PolarHBondContact O-N 3.48Å; L343-K345 PolarHBondContact O-N 2.89Å; K345-L349 PolarHBondContact O-N 3.38Å; K345-L349 VanDerWaalsContact O-N 3.13Å; K345-F355 HydrophobicContact CB-CD1 4.37Å; K345-F355 HydrophobicContact CB-CD2 4.18Å; K345-F355 HydrophobicContact CB-CE1 4.03Å; K345-F355 HydrophobicContact CB-CE2 3.84Å; K345-F355 HydrophobicContact CB-CG 4.43Å; K345-F355 HydrophobicContact CB-CZ 3.75Å; K345-F355 HydrophobicContact CD-CD1 4.46Å; K345-F355 HydrophobicContact CD-CE1 4.02Å; K345-F355 HydrophobicContact CD-CZ 4.43Å; K345-F355 HydrophobicContact CG-CD1 4.03Å; K345-F355 HydrophobicContact CG-CE1 3.92Å; K345-F355 HydrophobicContact CG-CG 4.37Å; K345-F355 HydrophobicContact CG-CZ 4.18Å
346	R	96.2	Very high	95.5	Very high	168 Å²	168	77.6 Å²	77.6	63%	0.634	38%	0.381	S	S	*	.	H	α-helix	trans	-65.3	-47.7	178.8	-178.9	-179.5	173.4	157.8	-1.3	111.6	A342 L343 K344 L349 M350	A342-R346 WeakPolarHBondContact O-CB 3.41Å; A342-R346 PolarHBondContact O-N 3.48Å; L343-R346 PolarHBondContact O-N 3.03Å; K344-R346 VanDerWaalsContact C-N 3.29Å; K344-R346 PolarHBondContact O-N 2.87Å; R346-L349 PolarHBondContact O-N 3.12Å; R346-M350 HydrophobicContact CG-CE 4.07Å; R346-M350 HydrophobicContact CG-CG 4.46Å; R346-M350 HydrophobicContact CG-SD 4.12Å; R346-M350 WeakPolarHBondContact O-CG 3.48Å; R346-M350 PolarHBondContact O-N 2.95Å
347	E	94.3	Very high	95.6	Very high	19 Å²	19	78.1 Å²	78.1	9%	0.089	40%	0.395	C	S	.	.	H	α-helix	trans	-64.4	-43.7	179.7	-176.8	168.7	-157.8	0	0	111.8	H259 L343 K344 L349 M350 K351 Y366 Y367	H259-E347 IonicContact CE1-OE1 3.96Å; H259-E347 IonicContact CG-OE1 3.75Å; H259-E347 IonicContact ND1-OE1 3.99Å; H259-E347 PolarHBondContact ND1-OE1 2.91Å; L343-E347 PolarHBondContact O-N 3.16Å; K344-E347 PolarHBondContact O-N 2.82Å; E347-L349 VanDerWaalsContact C-N 3.28Å; E347-L349 PolarHBondContact O-N 3.34Å; E347-M350 PolarHBondContact O-N 3.35Å; E347-M350 VanDerWaalsContact O-N 3.17Å; E347-K351 HydrophobicContact CG-CD 4Å; E347-K351 HydrophobicContact CG-CG 4.17Å; E347-K351 WeakPolarHBondContact O-CB 3.42Å; E347-K351 PolarHBondContact O-N 3.12Å; E347-K351 WeakPolarHBondContact OE1-CE 3.21Å; E347-K351 IonicContact OE1-NZ 3.9Å; E347-Y366 PolarHBondContact OE1-OH 3.33Å; E347-Y366 WeakPolarHBondContact OE2-CE1 3.36Å; E347-Y366 PolarHBondContact OE2-OH 3.19Å; E347-Y367 WeakPolarHBondContact OE2-CE1 3.27Å; E347-Y367 PolarHBondContact OE2-OH 3.05Å
348	C	95.6	Very high	95.6	Very high	8 Å²	8	80.2 Å²	80.2	5%	0.054	41%	0.407	C	S	.	.	H	α-helix	trans	-55.3	-45.1	174.8	-73.8	0	0	0	0	111.6	K344 G352 F353 F355	K344-C348 WeakPolarHBondContact O-CB 3.4Å; K344-C348 PolarHBondContact O-N 3.17Å; K344-C348 PolarHBondContact O-SG 3.13Å; C348-G352 CarbonylContact O-C 3.46Å; C348-G352 WeakPolarHBondContact O-CA 3.19Å; C348-G352 PolarHBondContact O-N 3.4Å; C348-F353 HydrophobicContact CB-CB 4.29Å; C348-F353 WeakPolarHBondContact CB-O 3.29Å; C348-F353 PolarHBondContact O-N 3.03Å; C348-F355 HydrophobicContact CB-CB 3.94Å
349	L	95.3	Very high	95.6	Very high	149 Å²	149	73 Å²	73	78%	0.78	38%	0.376	S	S	*	.	H	α-helix	trans	-63.5	-45.2	176.6	-178.7	64.3	0	0	0	112.5	K345 R346 E347	K345-L349 PolarHBondContact O-N 3.38Å; K345-L349 VanDerWaalsContact O-N 3.13Å; R346-L349 PolarHBondContact O-N 3.12Å; E347-L349 VanDerWaalsContact C-N 3.28Å; E347-L349 PolarHBondContact O-N 3.34Å
350	M	93.4	Very high	95.8	Very high	127 Å²	127	69.3 Å²	69.3	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-69.1	-37.3	-177.6	-69.3	-173.6	-47.2	0	0	112.9	R346 E347	R346-M350 HydrophobicContact CG-CE 4.07Å; R346-M350 HydrophobicContact CG-CG 4.46Å; R346-M350 HydrophobicContact CG-SD 4.12Å; R346-M350 WeakPolarHBondContact O-CG 3.48Å; R346-M350 PolarHBondContact O-N 2.95Å; E347-M350 PolarHBondContact O-N 3.35Å; E347-M350 VanDerWaalsContact O-N 3.17Å
351	K	90.8	Very high	95.8	Very high	75 Å²	75	70.3 Å²	70.3	33%	0.326	37%	0.371	S	S	.	.	H	α-helix	trans	-96.1	0.8	-177.1	-63.5	-163.3	173.8	-158.1	0	113.7	E223 H259 E347 F353	E223-K351 PolarHBondContact O-NZ 2.89Å; H259-K351 PolarHBondContact ND1-NZ 3.18Å; E347-K351 HydrophobicContact CG-CD 4Å; E347-K351 HydrophobicContact CG-CG 4.17Å; E347-K351 WeakPolarHBondContact O-CB 3.42Å; E347-K351 PolarHBondContact O-N 3.12Å; E347-K351 WeakPolarHBondContact OE1-CE 3.21Å; E347-K351 IonicContact OE1-NZ 3.9Å; K351-F353 VanDerWaalsContact C-N 3.29Å; K351-F353 HydrophobicContact CB-CD2 3.84Å; K351-F353 HydrophobicContact CB-CE2 3.73Å; K351-F353 HydrophobicContact CB-CG 4.33Å; K351-F353 HydrophobicContact CB-CZ 4.11Å; K351-F353 HydrophobicContact CD-CE2 3.8Å; K351-F353 HydrophobicContact CD-CZ 4.29Å; K351-F353 HydrophobicContact CG-CE2 4.38Å; K351-F353 PolarHBondContact O-N 2.8Å
352	G	92.8	Very high	95.8	Very high	67 Å²	67	69.4 Å²	69.4	69%	0.691	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	21.9	-178.6	0	0	0	0	0	114.4	C348	C348-G352 CarbonylContact O-C 3.46Å; C348-G352 WeakPolarHBondContact O-CA 3.19Å; C348-G352 PolarHBondContact O-N 3.4Å
353	F	93.3	Very high	95.9	Very high	80 Å²	80	66.7 Å²	66.7	35%	0.351	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-81.3	152.1	174.1	-57.6	-40.1	0	0	0	111.5	P261 C348 K351 F355	P261-F353 HydrophobicContact CG-CD2 4.26Å; P261-F353 HydrophobicContact CG-CE2 4.38Å; P261-F353 HydrophobicContact CG-CG 4.4Å; C348-F353 HydrophobicContact CB-CB 4.29Å; C348-F353 WeakPolarHBondContact CB-O 3.29Å; C348-F353 PolarHBondContact O-N 3.03Å; K351-F353 VanDerWaalsContact C-N 3.29Å; K351-F353 HydrophobicContact CB-CD2 3.84Å; K351-F353 HydrophobicContact CB-CE2 3.73Å; K351-F353 HydrophobicContact CB-CG 4.33Å; K351-F353 HydrophobicContact CB-CZ 4.11Å; K351-F353 HydrophobicContact CD-CE2 3.8Å; K351-F353 HydrophobicContact CD-CZ 4.29Å; K351-F353 HydrophobicContact CG-CE2 4.38Å; K351-F353 PolarHBondContact O-N 2.8Å; F353-F355 PolarHBondContact O-N 3.28Å
354	Q	94.9	Very high	95.9	Very high	180 Å²	180	65.9 Å²	65.9	84%	0.841	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-66.1	132.7	171.4	-173.4	177	-3.6	0	0	110.3
355	F	97.4	Very high	95.8	Very high	71 Å²	71	67.5 Å²	67.5	31%	0.311	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-99.6	118.7	172	179.8	-118.6	0	0	0	109.7	L341 K344 K345 C348 F353	L341-F355 HydrophobicContact CD1-CE2 3.81Å; L341-F355 HydrophobicContact CD1-CZ 3.7Å; L341-F355 HydrophobicContact CG-CZ 4.1Å; K344-F355 HydrophobicContact CB-CE2 4.37Å; K344-F355 HydrophobicContact CD-CD2 4.47Å; K344-F355 HydrophobicContact CD-CE2 4.25Å; K344-F355 HydrophobicContact CG-CD2 4.07Å; K344-F355 HydrophobicContact CG-CE2 3.99Å; K345-F355 HydrophobicContact CB-CD1 4.37Å; K345-F355 HydrophobicContact CB-CD2 4.18Å; K345-F355 HydrophobicContact CB-CE1 4.03Å; K345-F355 HydrophobicContact CB-CE2 3.84Å; K345-F355 HydrophobicContact CB-CG 4.43Å; K345-F355 HydrophobicContact CB-CZ 3.75Å; K345-F355 HydrophobicContact CD-CD1 4.46Å; K345-F355 HydrophobicContact CD-CE1 4.02Å; K345-F355 HydrophobicContact CD-CZ 4.43Å; K345-F355 HydrophobicContact CG-CD1 4.03Å; K345-F355 HydrophobicContact CG-CE1 3.92Å; K345-F355 HydrophobicContact CG-CG 4.37Å; K345-F355 HydrophobicContact CG-CZ 4.18Å; C348-F355 HydrophobicContact CB-CB 3.94Å; F353-F355 PolarHBondContact O-N 3.28Å
356	D	96.1	Very high	95.7	Very high	73 Å²	73	61.3 Å²	61.3	39%	0.39	32%	0.321	S	S	.	.			trans	-90.4	-1.8	-176.3	58.2	12.5	0	0	0	114	K344 Q358 N360	K344-D356 WeakPolarHBondContact CE-OD1 3.38Å; K344-D356 IonicContact NZ-OD1 2.71Å; K344-D356 PolarHBondContact NZ-OD1 3.25Å; K344-D356 IonicContact NZ-OD2 2.74Å; K344-D356 PolarHBondContact NZ-OD2 2.92Å; D356-Q358 VanDerWaalsContact C-N 3.29Å; D356-Q358 PolarHBondContact O-N 3.05Å; D356-Q358 PolarHBondContact OD1-N 2.88Å; D356-Q358 VanDerWaalsContact OD1-N 3.09Å; D356-Q358 VanDerWaalsContact OD1-O 3.08Å; D356-N360 PolarHBondContact OD2-ND2 3.28Å
357	G	96.6	Very high	95.7	Very high	43 Å²	43	53.6 Å²	53.6	44%	0.443	29%	0.292	S	S	.	.	S	Bend	trans	78.9	3.2	178.6	0	0	0	0	0	115.5
358	Q	96.4	Very high	95.6	Very high	92 Å²	92	54 Å²	54	43%	0.43	29%	0.294	S	S	.	.	S	Bend	trans	-136.1	167.2	-176.5	66.9	-176.6	31.9	0	0	113.2	K344 D356 N360	K344-Q358 WeakPolarHBondContact CD-O 3.47Å; K344-Q358 WeakPolarHBondContact CE-O 3.37Å; K344-Q358 PolarHBondContact NZ-O 2.78Å; D356-Q358 VanDerWaalsContact C-N 3.29Å; D356-Q358 PolarHBondContact O-N 3.05Å; D356-Q358 PolarHBondContact OD1-N 2.88Å; D356-Q358 VanDerWaalsContact OD1-N 3.09Å; D356-Q358 VanDerWaalsContact OD1-O 3.08Å; Q358-N360 PolarHBondContact NE2-OD1 3.17Å
359	I	97.9	Very high	95.4	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.062	29%	0.294	C	S	.	.			trans	-98.3	119.6	168.6	-56.6	170.4	0	0	0	106.4	R337 I340 L341 D363 V613	R337-I359 HydrophobicContact CB-CD1 3.86Å; R337-I359 HydrophobicContact CG-CD1 4.03Å; R337-I359 WeakPolarHBondContact O-CD1 3.37Å; I340-I359 HydrophobicContact CB-CD1 3.91Å; I340-I359 HydrophobicContact CG2-CD1 3.57Å; I340-I359 HydrophobicContact CG2-CG1 3.94Å; I340-I359 HydrophobicContact CG2-CG2 4.25Å; L341-I359 HydrophobicContact CB-CD1 4.32Å; L341-I359 HydrophobicContact CB-CG1 4.24Å; L341-I359 HydrophobicContact CD1-CG1 4.14Å; I359-D363 HydrophobicContact CG2-CB 4.26Å; I359-V613 HydrophobicContact CB-CG2 4.29Å; I359-V613 HydrophobicContact CG2-CG1 4.37Å; I359-V613 HydrophobicContact CG2-CG2 4.06Å
360	N	98.2	Very high	95.1	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.043	26%	0.264	C	S	.	.			trans	-91.2	163.4	174.2	-53.1	-70.2	0	0	0	110.7	K344 D356 Q358 W362 D363 L364	K344-N360 PolarHBondContact NZ-ND2 3.39Å; D356-N360 PolarHBondContact OD2-ND2 3.28Å; Q358-N360 PolarHBondContact NE2-OD1 3.17Å; N360-W362 HydrophobicContact CB-CD2 3.53Å; N360-W362 HydrophobicContact CB-CE3 3.68Å; N360-W362 HydrophobicContact CB-CG 4.26Å; N360-W362 HydrophobicContact CB-CH2 3.55Å; N360-W362 HydrophobicContact CB-CZ2 3.4Å; N360-W362 HydrophobicContact CB-CZ3 3.68Å; N360-W362 VanDerWaalsContact CG-CH2 3.43Å; N360-W362 WeakPolarHBondContact ND2-CZ2 3.29Å; N360-W362 PolarHBondContact O-N 3Å; N360-D363 WeakPolarHBondContact CB-OD2 3.43Å; N360-D363 PolarHBondContact N-OD2 3.25Å; N360-D363 PolarHBondContact ND2-OD2 2.82Å; N360-D363 WeakPolarHBondContact O-CB 3.35Å; N360-D363 PolarHBondContact O-N 3.36Å; N360-L364 PolarHBondContact O-N 3.45Å
361	A	97.8	Very high	94.9	Very high	22 Å²	22	42.7 Å²	42.7	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.2	176.7	0	0	0	0	0	112.7	E268 D363 L364 P365	E268-A361 HydrophobicContact CG-CB 4.26Å; E268-A361 WeakPolarHBondContact OE1-CB 3.44Å; A361-D363 VanDerWaalsContact C-N 3.25Å; A361-D363 PolarHBondContact O-N 3.02Å; A361-L364 PolarHBondContact O-N 3.22Å; A361-P365 WeakPolarHBondContact O-CD 3.42Å
362	W	97.9	Very high	94.7	Very high	35 Å²	35	41.4 Å²	41.4	13%	0.133	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.2	178	64.6	82.3	0	0	0	115	M255 R264 R265 E268 N360 T616	M255-W362 HydrophobicContact CE-CB 3.9Å; R264-W362 HydrophobicContact CB-CB 4.15Å; R264-W362 WeakPolarHBondContact CD-O 3.5Å; R264-W362 PolarHBondContact NE-O 2.95Å; R265-W362 HydrophobicContact CB-CD2 3.83Å; R265-W362 HydrophobicContact CB-CE3 4.3Å; R265-W362 HydrophobicContact CB-CG 3.95Å; R265-W362 HydrophobicContact CG-CD2 3.79Å; R265-W362 HydrophobicContact CG-CE3 3.79Å; R265-W362 HydrophobicContact CG-CG 4.42Å; R265-W362 HydrophobicContact CG-CH2 4.1Å; R265-W362 HydrophobicContact CG-CZ2 4.09Å; R265-W362 HydrophobicContact CG-CZ3 3.95Å; E268-W362 HydrophobicContact CB-CB 3.69Å; E268-W362 HydrophobicContact CG-CB 4.01Å; N360-W362 HydrophobicContact CB-CD2 3.53Å; N360-W362 HydrophobicContact CB-CE3 3.68Å; N360-W362 HydrophobicContact CB-CG 4.26Å; N360-W362 HydrophobicContact CB-CH2 3.55Å; N360-W362 HydrophobicContact CB-CZ2 3.4Å; N360-W362 HydrophobicContact CB-CZ3 3.68Å; N360-W362 VanDerWaalsContact CG-CH2 3.43Å; N360-W362 WeakPolarHBondContact ND2-CZ2 3.29Å; N360-W362 PolarHBondContact O-N 3Å; W362-T616 HydrophobicContact CZ3-CG2 4.09Å
363	D	98.1	Very high	94.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-29.6	176.4	-70	-42.2	0	0	0	111.7	R264 K344 I359 N360 A361 Y366 Y367	R264-D363 IonicContact CZ-OD1 3.25Å; R264-D363 IonicContact NH2-OD1 2.81Å; R264-D363 PolarHBondContact NH2-OD1 3.05Å; K344-D363 WeakPolarHBondContact CE-OD2 3.21Å; K344-D363 IonicContact NZ-OD2 2.69Å; K344-D363 PolarHBondContact NZ-OD2 3.4Å; I359-D363 HydrophobicContact CG2-CB 4.26Å; N360-D363 WeakPolarHBondContact CB-OD2 3.43Å; N360-D363 PolarHBondContact N-OD2 3.25Å; N360-D363 PolarHBondContact ND2-OD2 2.82Å; N360-D363 WeakPolarHBondContact O-CB 3.35Å; N360-D363 PolarHBondContact O-N 3.36Å; A361-D363 VanDerWaalsContact C-N 3.25Å; A361-D363 PolarHBondContact O-N 3.02Å; D363-Y366 PolarHBondContact O-N 2.74Å; D363-Y367 HydrophobicContact CB-CD2 3.83Å; D363-Y367 HydrophobicContact CB-CE2 3.87Å; D363-Y367 VanDerWaalsContact O-CD2 3.24Å; D363-Y367 WeakPolarHBondContact O-CD2 3.41Å; D363-Y367 PolarHBondContact O-N 3.01Å
364	L	96.1	Very high	93.6	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-53.3	-168.4	-178.3	64.7	0	0	0	113.2	I340 N360 A361 Y366 Y367 M368 L576 L611	I340-L364 HydrophobicContact CD1-CD1 4.14Å; N360-L364 PolarHBondContact O-N 3.45Å; A361-L364 PolarHBondContact O-N 3.22Å; L364-Y366 VanDerWaalsContact C-N 3.28Å; L364-Y366 PolarHBondContact O-N 2.76Å; L364-Y367 PolarHBondContact O-N 3.26Å; L364-M368 HydrophobicContact CD1-CG 4.01Å; L364-M368 HydrophobicContact CD1-SD 3.73Å; L364-M368 HydrophobicContact CD2-SD 4.43Å; L364-M368 HydrophobicContact CG-CG 4.42Å; L364-M368 HydrophobicContact CG-SD 3.67Å; L364-M368 WeakPolarHBondContact O-CB 3.5Å; L364-M368 WeakPolarHBondContact O-CG 3.45Å; L364-M368 PolarHBondContact O-N 3.05Å; L364-L576 HydrophobicContact CD1-CD1 4.06Å; L364-L611 HydrophobicContact CD2-CD2 4.14Å
365	P	95.6	Very high	92.9	Very high	40 Å²	40	39.6 Å²	39.6	26%	0.26	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-36	-179.9	-21.8	33.8	0	0	0	113.3	M255 K256 A361 N369	M255-P365 HydrophobicContact CB-CB 4.15Å; M255-P365 HydrophobicContact CB-CG 4.33Å; K256-P365 HydrophobicContact CG-CB 4.27Å; A361-P365 WeakPolarHBondContact O-CD 3.42Å; P365-N369 PolarHBondContact O-N 3.06Å; P365-N369 VanDerWaalsContact O-N 3.16Å
366	Y	95.1	Very high	92.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-53	-180	172.5	-96.2	0	0	0	111	M255 C258 H259 E347 D363 L364 M368 N369 Q370	M255-Y366 WeakPolarHBondContact O-CA 3.39Å; M255-Y366 VanDerWaalsContact O-CB 3.31Å; M255-Y366 WeakPolarHBondContact O-CB 3.15Å; M255-Y366 PolarHBondContact O-N 2.91Å; C258-Y366 WeakPolarHBondContact O-CD2 3.23Å; H259-Y366 AromaticContact CE1-CZ 3.98Å; H259-Y366 PolarHBondContact CE1-OH 3.46Å; H259-Y366 AromaticContact ND1-CZ 3.79Å; H259-Y366 PolarHBondContact ND1-OH 3.36Å; E347-Y366 PolarHBondContact OE1-OH 3.33Å; E347-Y366 WeakPolarHBondContact OE2-CE1 3.36Å; E347-Y366 PolarHBondContact OE2-OH 3.19Å; D363-Y366 PolarHBondContact O-N 2.74Å; L364-Y366 VanDerWaalsContact C-N 3.28Å; L364-Y366 PolarHBondContact O-N 2.76Å; Y366-M368 PolarHBondContact O-N 3.09Å; Y366-N369 WeakPolarHBondContact O-CB 3.39Å; Y366-N369 PolarHBondContact O-N 3.27Å; Y366-Q370 HydrophobicContact CD1-CG 4.35Å; Y366-Q370 HydrophobicContact CE1-CG 3.88Å; Y366-Q370 HydrophobicContact CE2-CG 4.45Å; Y366-Q370 WeakPolarHBondContact O-CG 3.41Å; Y366-Q370 PolarHBondContact O-N 2.72Å; Y366-Q370 PolarHBondContact OH-NE2 3.25Å
367	Y	95.8	Very high	91.4	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-72.6	-27.6	-179	-71.3	-69.5	0	0	0	113.2	I340 L343 K344 E347 D363 L364 N369 Q370 V371	I340-Y367 VanDerWaalsContact CG2-CB 3.5Å; I340-Y367 HydrophobicContact CG2-CD2 4.16Å; I340-Y367 HydrophobicContact CG2-CG 3.95Å; L343-Y367 HydrophobicContact CB-CD1 3.91Å; L343-Y367 HydrophobicContact CB-CE1 4.28Å; K344-Y367 VanDerWaalsContact CA-CZ 3.41Å; K344-Y367 WeakPolarHBondContact CA-OH 3.29Å; K344-Y367 HydrophobicContact CB-CD2 4.3Å; K344-Y367 HydrophobicContact CB-CE1 3.96Å; K344-Y367 HydrophobicContact CB-CE2 3.65Å; K344-Y367 VanDerWaalsContact CB-CZ 3.46Å; K344-Y367 HydrophobicContact CD-CE2 4.02Å; K344-Y367 HydrophobicContact CG-CE2 3.81Å; K344-Y367 WeakPolarHBondContact CG-OH 3.44Å; E347-Y367 WeakPolarHBondContact OE2-CE1 3.27Å; E347-Y367 PolarHBondContact OE2-OH 3.05Å; D363-Y367 HydrophobicContact CB-CD2 3.83Å; D363-Y367 HydrophobicContact CB-CE2 3.87Å; D363-Y367 VanDerWaalsContact O-CD2 3.24Å; D363-Y367 WeakPolarHBondContact O-CD2 3.41Å; D363-Y367 PolarHBondContact O-N 3.01Å; L364-Y367 PolarHBondContact O-N 3.26Å; Y367-N369 VanDerWaalsContact C-N 3.31Å; Y367-N369 PolarHBondContact O-N 2.99Å; Y367-Q370 HydrophobicContact CD1-CG 4.38Å; Y367-Q370 WeakPolarHBondContact O-CB 3.47Å; Y367-Q370 PolarHBondContact O-N 3.39Å; Y367-V371 VanDerWaalsContact O-CG2 3.23Å; Y367-V371 WeakPolarHBondContact O-CG2 3.46Å; Y367-V371 PolarHBondContact O-N 2.91Å
368	M	93.4	Very high	90.5	Very high	26 Å²	26	36.5 Å²	36.5	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-42.5	169.1	-74.2	170.9	75.3	0	0	111.4	I340 L364 Y366 Q370 V371 E372 N573 M577	I340-M368 HydrophobicContact CD1-CG 4.09Å; L364-M368 HydrophobicContact CD1-CG 4.01Å; L364-M368 HydrophobicContact CD1-SD 3.73Å; L364-M368 HydrophobicContact CD2-SD 4.43Å; L364-M368 HydrophobicContact CG-CG 4.42Å; L364-M368 HydrophobicContact CG-SD 3.67Å; L364-M368 WeakPolarHBondContact O-CB 3.5Å; L364-M368 WeakPolarHBondContact O-CG 3.45Å; L364-M368 PolarHBondContact O-N 3.05Å; Y366-M368 PolarHBondContact O-N 3.09Å; M368-Q370 VanDerWaalsContact C-N 3.35Å; M368-V371 WeakPolarHBondContact O-CB 3.29Å; M368-V371 PolarHBondContact O-N 3Å; M368-E372 PolarHBondContact O-N 3.33Å; M368-N573 HydrophobicContact CB-CB 4.41Å; M368-N573 HydrophobicContact CE-CB 3.49Å; M368-N573 VanDerWaalsContact CE-CB 3.49Å; M368-N573 HydrophobicContact CG-CB 4.1Å; M368-N573 PolarHBondContact O-ND2 3.24Å; M368-M577 HydrophobicContact CE-CG 3.21Å; M368-M577 HydrophobicContact CE-SD 3.94Å
369	N	89.6	Confident	89.6	Confident	12 Å²	12	35.5 Å²	35.5	6%	0.064	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-37.6	173	179.3	83	0	0	0	111.8	K256 P365 Y366 Y367 E372 Q373	K256-N369 HydrophobicContact CB-CB 4.21Å; K256-N369 PolarHBondContact O-ND2 2.85Å; P365-N369 PolarHBondContact O-N 3.06Å; P365-N369 VanDerWaalsContact O-N 3.16Å; Y366-N369 WeakPolarHBondContact O-CB 3.39Å; Y366-N369 PolarHBondContact O-N 3.27Å; Y367-N369 VanDerWaalsContact C-N 3.31Å; Y367-N369 PolarHBondContact O-N 2.99Å; N369-E372 WeakPolarHBondContact O-CB 3.42Å; N369-E372 PolarHBondContact O-N 2.84Å; N369-Q373 PolarHBondContact ND2-NE2 3.17Å; N369-Q373 WeakPolarHBondContact O-CG 3.12Å; N369-Q373 PolarHBondContact O-N 2.96Å
370	Q	89.3	Confident	88.7	Confident	30 Å²	30	39.6 Å²	39.6	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-39	173.7	-64.9	-60.5	-30.8	0	0	112.5	L343 Y366 Y367 M368 E372 Q373 C374	L343-Q370 HydrophobicContact CD1-CB 4.37Å; Y366-Q370 HydrophobicContact CD1-CG 4.35Å; Y366-Q370 HydrophobicContact CE1-CG 3.88Å; Y366-Q370 HydrophobicContact CE2-CG 4.45Å; Y366-Q370 WeakPolarHBondContact O-CG 3.41Å; Y366-Q370 PolarHBondContact O-N 2.72Å; Y366-Q370 PolarHBondContact OH-NE2 3.25Å; Y367-Q370 HydrophobicContact CD1-CG 4.38Å; Y367-Q370 WeakPolarHBondContact O-CB 3.47Å; Y367-Q370 PolarHBondContact O-N 3.39Å; M368-Q370 VanDerWaalsContact C-N 3.35Å; Q370-E372 VanDerWaalsContact C-N 3.35Å; Q370-Q373 PolarHBondContact O-N 3.5Å; Q370-C374 VanDerWaalsContact O-CB 3.27Å; Q370-C374 WeakPolarHBondContact O-CB 3.47Å; Q370-C374 PolarHBondContact O-N 3.25Å; Q370-C374 PolarHBondContact O-SG 2.85Å
371	V	89.9	Confident	87.7	Confident	6 Å²	6	45 Å²	45	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-46.9	173.3	174.4	0	0	0	0	110.4	Y339 I340 L343 Y367 M368 Q373 C374 K375 N573	Y339-V371 HydrophobicContact CD1-CG2 3.75Å; Y339-V371 HydrophobicContact CE1-CB 4.46Å; Y339-V371 HydrophobicContact CE1-CG1 4.31Å; Y339-V371 HydrophobicContact CE1-CG2 3.77Å; I340-V371 HydrophobicContact CG1-CG2 3.96Å; L343-V371 HydrophobicContact CD1-CG2 3.86Å; Y367-V371 VanDerWaalsContact O-CG2 3.23Å; Y367-V371 WeakPolarHBondContact O-CG2 3.46Å; Y367-V371 PolarHBondContact O-N 2.91Å; M368-V371 WeakPolarHBondContact O-CB 3.29Å; M368-V371 PolarHBondContact O-N 3Å; V371-Q373 PolarHBondContact O-N 2.83Å; V371-C374 PolarHBondContact O-N 3Å; V371-K375 HydrophobicContact CG1-CD 3.9Å; V371-K375 HydrophobicContact CG1-CG 4.4Å; V371-K375 WeakPolarHBondContact O-CB 3.33Å; V371-K375 PolarHBondContact O-N 3.12Å; V371-N573 WeakPolarHBondContact CB-OD1 3.39Å; V371-N573 WeakPolarHBondContact CG1-OD1 3.41Å
372	E	85.6	Confident	87	Confident	47 Å²	47	50 Å²	50	22%	0.22	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-50.4	176.7	-78.1	174.2	-144.6	0	0	111.4	M368 N369 Q370 F376 A377 K380 A572	M368-E372 PolarHBondContact O-N 3.33Å; N369-E372 WeakPolarHBondContact O-CB 3.42Å; N369-E372 PolarHBondContact O-N 2.84Å; Q370-E372 VanDerWaalsContact C-N 3.35Å; E372-F376 PolarHBondContact O-N 2.81Å; E372-A377 PolarHBondContact O-N 2.61Å; E372-K380 IonicContact OE2-NZ 3.58Å; E372-K380 PolarHBondContact OE2-NZ 3.33Å; E372-A572 HydrophobicContact CG-CB 3.68Å
373	Q	82.3	Confident	86.6	Confident	97 Å²	97	48.6 Å²	48.6	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-44.8	-178.6	-71.8	178.8	-6.1	0	0	112.3	N369 Q370 V371 A377	N369-Q373 PolarHBondContact ND2-NE2 3.17Å; N369-Q373 WeakPolarHBondContact O-CG 3.12Å; N369-Q373 PolarHBondContact O-N 2.96Å; Q370-Q373 PolarHBondContact O-N 3.5Å; V371-Q373 PolarHBondContact O-N 2.83Å; Q373-A377 WeakPolarHBondContact O-CA 3.3Å; Q373-A377 PolarHBondContact O-N 3.5Å
374	C	81.8	Confident	86.2	Confident	82 Å²	82	50.5 Å²	50.5	55%	0.554	26%	0.263	S	S	*	.	H	α-helix	trans	-74	-34.3	-175.8	-68.3	0	0	0	0	113.2	Q370 V371	Q370-C374 VanDerWaalsContact O-CB 3.27Å; Q370-C374 WeakPolarHBondContact O-CB 3.47Å; Q370-C374 PolarHBondContact O-N 3.25Å; Q370-C374 PolarHBondContact O-SG 2.85Å; V371-C374 PolarHBondContact O-N 3Å
375	K	80.1	Confident	86.1	Confident	111 Å²	111	52 Å²	52	48%	0.483	27%	0.269	S	S	.	.	H	α-helix	trans	-92.9	-36.1	-174.8	-69.6	-170.4	178.9	175.8	0	113.9	Y339 V371	Y339-K375 VanDerWaalsContact CZ-CE 3.49Å; V371-K375 HydrophobicContact CG1-CD 3.9Å; V371-K375 HydrophobicContact CG1-CG 4.4Å; V371-K375 WeakPolarHBondContact O-CB 3.33Å; V371-K375 PolarHBondContact O-N 3.12Å
376	F	80.4	Confident	86.1	Confident	37 Å²	37	51.5 Å²	51.5	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-113.6	-21.2	-171.1	-54.2	-79.1	0	0	0	113	E372 V378 A568 V571 A572	E372-F376 PolarHBondContact O-N 2.81Å; F376-V378 HydrophobicContact CB-CG2 4.15Å; F376-V378 PolarHBondContact O-N 3.19Å; F376-A568 HydrophobicContact CD1-CB 3.95Å; F376-A568 WeakPolarHBondContact CD1-O 3.45Å; F376-A568 HydrophobicContact CE1-CB 4.23Å; F376-A568 WeakPolarHBondContact CE1-O 3.21Å; F376-V571 HydrophobicContact CZ-CG2 4.32Å; F376-A572 HydrophobicContact CD2-CB 3.93Å; F376-A572 HydrophobicContact CE2-CB 3.34Å; F376-A572 HydrophobicContact CZ-CB 4.05Å
377	A	80.6	Confident	86.2	Confident	64 Å²	64	51.5 Å²	51.5	53%	0.529	26%	0.263	S	S	.	.			trans	49.2	35.1	175.3	0	0	0	0	0	114.1	E372 Q373 N379	E372-A377 PolarHBondContact O-N 2.61Å; Q373-A377 WeakPolarHBondContact O-CA 3.3Å; Q373-A377 PolarHBondContact O-N 3.5Å; A377-N379 PolarHBondContact O-N 2.94Å
378	V	77.8	Confident	86.2	Confident	21 Å²	21	51.8 Å²	51.8	13%	0.127	27%	0.265	C	S	.	.			trans	-72.7	111.6	176.7	-178.1	0	0	0	0	108.7	F376 K380 L383 K565	F376-V378 HydrophobicContact CB-CG2 4.15Å; F376-V378 PolarHBondContact O-N 3.19Å; V378-K380 HydrophobicContact CG1-CG 4.36Å; V378-K380 PolarHBondContact O-N 3.09Å; V378-L383 HydrophobicContact CG1-CD2 4.21Å; V378-K565 HydrophobicContact CG2-CB 3.88Å; V378-K565 WeakPolarHBondContact CG2-O 3.26Å
379	N	78.4	Confident	86.4	Confident	71 Å²	71	51.3 Å²	51.3	38%	0.38	26%	0.263	S	S	.	.			trans	-77.1	91.7	172.6	-172.1	-31.3	0	0	0	109.4	A377 D381 K382 L383	A377-N379 PolarHBondContact O-N 2.94Å; N379-D381 PolarHBondContact O-N 2.75Å; N379-D381 PolarHBondContact OD1-N 3.04Å; N379-D381 VanDerWaalsContact OD1-N 3.15Å; N379-K382 HydrophobicContact CB-CB 4.26Å; N379-K382 HydrophobicContact CB-CG 4.42Å; N379-K382 PolarHBondContact O-N 2.99Å; N379-K382 PolarHBondContact OD1-N 3.13Å; N379-L383 PolarHBondContact O-N 3.03Å
380	K	78.7	Confident	86.7	Confident	97 Å²	97	58.5 Å²	58.5	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-31.9	-179.2	-63.4	-178.7	-176.8	175.5	0	112.2	E372 V378 K382 L383 I384	E372-K380 IonicContact OE2-NZ 3.58Å; E372-K380 PolarHBondContact OE2-NZ 3.33Å; V378-K380 HydrophobicContact CG1-CG 4.36Å; V378-K380 PolarHBondContact O-N 3.09Å; K380-K382 VanDerWaalsContact C-N 3.33Å; K380-K382 PolarHBondContact O-N 2.98Å; K380-L383 PolarHBondContact O-N 3.48Å; K380-I384 PolarHBondContact O-N 3.44Å; K380-I384 VanDerWaalsContact O-N 3.16Å
381	D	76.5	Confident	87.1	Confident	121 Å²	121	59.2 Å²	59.2	65%	0.647	30%	0.303	S	S	*	.	H	α-helix	trans	-72.2	-25.2	179.3	-58.4	-30.4	0	0	0	112.9	N379 I384	N379-D381 PolarHBondContact O-N 2.75Å; N379-D381 PolarHBondContact OD1-N 3.04Å; N379-D381 VanDerWaalsContact OD1-N 3.15Å; D381-I384 VanDerWaalsContact O-CG2 3.24Å; D381-I384 WeakPolarHBondContact O-CG2 3.1Å
382	K	84.4	Confident	87.5	Confident	127 Å²	127	59 Å²	59	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-84.8	-37.1	169.4	-73.1	-171	175	-168.4	0	112.3	N379 K380 I384 E385 Y386	N379-K382 HydrophobicContact CB-CB 4.26Å; N379-K382 HydrophobicContact CB-CG 4.42Å; N379-K382 PolarHBondContact O-N 2.99Å; N379-K382 PolarHBondContact OD1-N 3.13Å; K380-K382 VanDerWaalsContact C-N 3.33Å; K380-K382 PolarHBondContact O-N 2.98Å; K382-I384 VanDerWaalsContact C-N 3.3Å; K382-I384 PolarHBondContact O-N 3.41Å; K382-E385 WeakPolarHBondContact O-CB 3.31Å; K382-E385 PolarHBondContact O-N 2.97Å; K382-Y386 WeakPolarHBondContact O-CD2 3.15Å
383	L	89.2	Confident	88.1	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-38.6	-177.3	-179.2	64.3	0	0	0	112.2	V378 N379 K380 E385 Y386 F387 H492 V558 L562 L566	V378-L383 HydrophobicContact CG1-CD2 4.21Å; N379-L383 PolarHBondContact O-N 3.03Å; K380-L383 PolarHBondContact O-N 3.48Å; L383-E385 PolarHBondContact O-N 3.41Å; L383-E385 VanDerWaalsContact O-N 3.16Å; L383-Y386 PolarHBondContact O-N 3.35Å; L383-Y386 VanDerWaalsContact O-N 3.1Å; L383-F387 HydrophobicContact CD1-CD2 4.49Å; L383-F387 HydrophobicContact CD1-CE2 3.63Å; L383-F387 HydrophobicContact CD1-CZ 4.31Å; L383-F387 HydrophobicContact CD2-CE2 4.24Å; L383-F387 HydrophobicContact CG-CD2 4.28Å; L383-F387 HydrophobicContact CG-CE2 3.68Å; L383-F387 WeakPolarHBondContact O-CD2 3.23Å; L383-H492 HydrophobicContact CD2-CB 4.19Å; L383-V558 HydrophobicContact CD1-CG2 4.41Å; L383-L562 HydrophobicContact CB-CD2 4.33Å; L383-L562 HydrophobicContact CD1-CD2 3.97Å; L383-L562 HydrophobicContact CD1-CG 4.07Å; L383-L566 HydrophobicContact CD1-CD2 4.27Å; L383-L566 HydrophobicContact CD2-CD1 3.8Å; L383-L566 HydrophobicContact CD2-CD2 3.9Å; L383-L566 HydrophobicContact CD2-CG 4.32Å
384	I	89.9	Confident	88.9	Confident	42 Å²	42	55.1 Å²	55.1	22%	0.215	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.4	-28.4	178.6	-165.1	170.8	0	0	0	112.9	K380 D381 K382 Y386 F387 L489 Q491	K380-I384 PolarHBondContact O-N 3.44Å; K380-I384 VanDerWaalsContact O-N 3.16Å; D381-I384 VanDerWaalsContact O-CG2 3.24Å; D381-I384 WeakPolarHBondContact O-CG2 3.1Å; K382-I384 VanDerWaalsContact C-N 3.3Å; K382-I384 PolarHBondContact O-N 3.41Å; I384-Y386 PolarHBondContact O-N 2.9Å; I384-Y386 VanDerWaalsContact O-N 3.14Å; I384-F387 PolarHBondContact O-N 2.77Å; I384-L489 HydrophobicContact CD1-CB 4.3Å; I384-L489 HydrophobicContact CG1-CB 3.73Å; I384-Q491 HydrophobicContact CD1-CG 3.81Å; I384-Q491 HydrophobicContact CG1-CG 4.49Å
385	E	93.2	Very high	89.7	Confident	48 Å²	48	51.6 Å²	51.6	22%	0.224	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-65.2	-16.8	179.6	-55.5	-172.1	145.3	0	0	113.3	K382 L383 W486 H551 Y552	K382-E385 WeakPolarHBondContact O-CB 3.31Å; K382-E385 PolarHBondContact O-N 2.97Å; L383-E385 PolarHBondContact O-N 3.41Å; L383-E385 VanDerWaalsContact O-N 3.16Å; E385-W486 HydrophobicContact CG-CH2 4.39Å; E385-W486 HydrophobicContact CG-CZ3 4.13Å; E385-W486 WeakPolarHBondContact OE1-CH2 3.32Å; E385-H551 WeakPolarHBondContact O-CA 3.49Å; E385-H551 IonicContact OE2-NE2 2.91Å; E385-Y552 HydrophobicContact CB-CD1 3.93Å; E385-Y552 HydrophobicContact CB-CE1 4.03Å; E385-Y552 HydrophobicContact CG-CE1 4.13Å; E385-Y552 WeakPolarHBondContact O-CD1 3.37Å; E385-Y552 PolarHBondContact O-N 2.95Å
386	Y	96.5	Very high	90.5	Very high	30 Å²	30	46.3 Å²	46.3	12%	0.118	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-99.4	-1.8	-178.7	-65.9	-89.8	0	0	0	114	K382 L383 I384 P388 S549 S550 H551 P557 V558 L562	K382-Y386 WeakPolarHBondContact O-CD2 3.15Å; L383-Y386 PolarHBondContact O-N 3.35Å; L383-Y386 VanDerWaalsContact O-N 3.1Å; I384-Y386 PolarHBondContact O-N 2.9Å; I384-Y386 VanDerWaalsContact O-N 3.14Å; Y386-P388 WeakPolarHBondContact O-CD 3.45Å; Y386-S549 CarbonylContact O-C 3.17Å; Y386-S549 WeakPolarHBondContact O-CA 3.48Å; Y386-S549 VanDerWaalsContact O-CB 3.28Å; Y386-S549 WeakPolarHBondContact O-CB 3.38Å; Y386-S550 CarbonylContact C-O 3.46Å; Y386-S550 WeakPolarHBondContact CA-O 3.36Å; Y386-S550 PolarHBondContact O-N 3.07Å; Y386-H551 HydrophobicContact CD1-CB 3.76Å; Y386-H551 HydrophobicContact CE1-CB 3.59Å; Y386-P557 WeakPolarHBondContact CE1-O 3.3Å; Y386-V558 HydrophobicContact CD1-CB 3.79Å; Y386-V558 HydrophobicContact CD1-CG2 4.44Å; Y386-V558 HydrophobicContact CD2-CG2 4.45Å; Y386-V558 HydrophobicContact CE1-CB 4.28Å; Y386-V558 HydrophobicContact CG-CB 3.99Å; Y386-V558 HydrophobicContact CG-CG2 4.25Å; Y386-L562 HydrophobicContact CE2-CD2 4.4Å
387	F	96.8	Very high	91.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.			trans	-118.1	59.4	179.4	-63.7	-64.7	0	0	0	113.2	L383 I384 L389 V392 L490 V495 L545 M548	L383-F387 HydrophobicContact CD1-CD2 4.49Å; L383-F387 HydrophobicContact CD1-CE2 3.63Å; L383-F387 HydrophobicContact CD1-CZ 4.31Å; L383-F387 HydrophobicContact CD2-CE2 4.24Å; L383-F387 HydrophobicContact CG-CD2 4.28Å; L383-F387 HydrophobicContact CG-CE2 3.68Å; L383-F387 WeakPolarHBondContact O-CD2 3.23Å; I384-F387 PolarHBondContact O-N 2.77Å; F387-L389 PolarHBondContact O-N 3.06Å; F387-V392 HydrophobicContact CB-CG2 3.88Å; F387-V392 HydrophobicContact CD1-CG2 3.93Å; F387-V392 HydrophobicContact CG-CG2 4.38Å; F387-L490 HydrophobicContact CB-CB 4.23Å; F387-L490 WeakPolarHBondContact CB-O 3.5Å; F387-L490 PolarHBondContact O-N 3.25Å; F387-V495 HydrophobicContact CB-CG2 4.24Å; F387-V495 HydrophobicContact CD1-CG2 4.06Å; F387-V495 HydrophobicContact CG-CG2 4.06Å; F387-L545 HydrophobicContact CE1-CD2 4.26Å; F387-L545 HydrophobicContact CZ-CD2 4.01Å; F387-M548 WeakPolarHBondContact CD1-O 3.43Å; F387-M548 HydrophobicContact CE1-CG 4.19Å
388	P	96.9	Very high	92.3	Very high	12 Å²	12	43.7 Å²	43.7	8%	0.078	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-56.6	135.2	164.9	-17.9	29.2	0	0	0	110.9	Y386 E390 V391 V392 S488 L489 S550	Y386-P388 WeakPolarHBondContact O-CD 3.45Å; P388-E390 PolarHBondContact O-N 2.95Å; P388-E390 VanDerWaalsContact O-N 3.16Å; P388-V391 HydrophobicContact CB-CB 4.33Å; P388-V391 HydrophobicContact CB-CG2 4Å; P388-V391 HydrophobicContact CG-CB 4.44Å; P388-V391 HydrophobicContact CG-CG2 3.99Å; P388-V391 WeakPolarHBondContact O-CB 3.44Å; P388-V391 PolarHBondContact O-N 3.19Å; P388-V392 PolarHBondContact O-N 3.19Å; P388-S488 CarbonylContact C-O 3.21Å; P388-S488 WeakPolarHBondContact CA-O 3.33Å; P388-L489 HydrophobicContact CB-CD2 4.19Å; P388-L489 HydrophobicContact CG-CD2 4.04Å; P388-S550 WeakPolarHBondContact CD-O 3.21Å; P388-S550 WeakPolarHBondContact CG-O 3.42Å
389	L	96.4	Very high	93.2	Very high	16 Å²	16	42.8 Å²	42.8	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-51.4	-43.1	-177.9	176.5	60.3	0	0	0	112.5	F387 V391 V392 T393 L442 H443 F479 S488 L490 Y498	F387-L389 PolarHBondContact O-N 3.06Å; L389-V391 VanDerWaalsContact C-N 3.35Å; L389-V391 PolarHBondContact O-N 2.83Å; L389-V392 PolarHBondContact O-N 3.2Å; L389-T393 WeakPolarHBondContact O-CB 3.37Å; L389-T393 PolarHBondContact O-N 3.24Å; L389-T393 PolarHBondContact O-OG1 3.41Å; L389-T393 VanDerWaalsContact O-OG1 3.08Å; L389-L442 HydrophobicContact CD1-CD1 4Å; L389-L442 HydrophobicContact CD2-CD1 4.29Å; L389-H443 VanDerWaalsContact CD2-CE1 3.48Å; L389-H443 WeakPolarHBondContact CD2-CE1 3.47Å; L389-F479 HydrophobicContact CD1-CD2 4.04Å; L389-S488 PolarHBondContact N-O 2.87Å; L389-L490 HydrophobicContact CD1-CD1 3.87Å; L389-L490 HydrophobicContact CD1-CD2 4.31Å; L389-L490 HydrophobicContact CD1-CG 4.37Å; L389-Y498 HydrophobicContact CD1-CD1 4.35Å; L389-Y498 HydrophobicContact CD1-CE1 3.83Å
390	E	95.9	Very high	94.2	Very high	164 Å²	164	39.4 Å²	39.4	77%	0.766	21%	0.212	S	C	*	.	H	α-helix	trans	-63.1	-39.1	179.4	-62.8	-175.6	165.7	0	0	112.8	P388 G394	P388-E390 PolarHBondContact O-N 2.95Å; P388-E390 VanDerWaalsContact O-N 3.16Å; E390-G394 PolarHBondContact O-N 3.22Å
391	V	98.1	Very high	95.1	Very high	45 Å²	45	37.4 Å²	37.4	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-68.6	-42.7	176.7	177.5	0	0	0	0	110.1	P388 L389 G394 G395	P388-V391 HydrophobicContact CB-CB 4.33Å; P388-V391 HydrophobicContact CB-CG2 4Å; P388-V391 HydrophobicContact CG-CB 4.44Å; P388-V391 HydrophobicContact CG-CG2 3.99Å; P388-V391 WeakPolarHBondContact O-CB 3.44Å; P388-V391 PolarHBondContact O-N 3.19Å; L389-V391 VanDerWaalsContact C-N 3.35Å; L389-V391 PolarHBondContact O-N 2.83Å; V391-G394 PolarHBondContact O-N 3Å; V391-G395 PolarHBondContact O-N 2.82Å
392	V	98.3	Very high	96.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-47	176.9	176.1	0	0	0	0	110.7	F387 P388 L389 G394 G395 L396 L490 V495 Y498	F387-V392 HydrophobicContact CB-CG2 3.88Å; F387-V392 HydrophobicContact CD1-CG2 3.93Å; F387-V392 HydrophobicContact CG-CG2 4.38Å; P388-V392 PolarHBondContact O-N 3.19Å; L389-V392 PolarHBondContact O-N 3.2Å; V392-G394 PolarHBondContact O-N 3.14Å; V392-G395 PolarHBondContact O-N 2.8Å; V392-L396 WeakPolarHBondContact O-CB 3.41Å; V392-L396 PolarHBondContact O-N 2.89Å; V392-L490 HydrophobicContact CB-CD1 4.16Å; V392-L490 HydrophobicContact CG1-CD1 4.02Å; V392-L490 HydrophobicContact CG2-CD1 4.19Å; V392-V495 HydrophobicContact CG1-CG1 3.95Å; V392-V495 HydrophobicContact CG1-CG2 4.28Å; V392-V495 HydrophobicContact CG2-CG2 4.11Å; V392-Y498 HydrophobicContact CG1-CD1 3.94Å; V392-Y498 HydrophobicContact CG1-CE1 4.44Å
393	T	98.4	Very high	96.8	Very high	18 Å²	18	29.4 Å²	29.4	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-46	176.9	-63.2	0	0	0	0	111.3	L389 L396 F397 L440 Y498	L389-T393 WeakPolarHBondContact O-CB 3.37Å; L389-T393 PolarHBondContact O-N 3.24Å; L389-T393 PolarHBondContact O-OG1 3.41Å; L389-T393 VanDerWaalsContact O-OG1 3.08Å; T393-L396 PolarHBondContact O-N 3.26Å; T393-F397 HydrophobicContact CG2-CD1 4.49Å; T393-F397 HydrophobicContact CG2-CD2 4.17Å; T393-F397 HydrophobicContact CG2-CE1 4.15Å; T393-F397 HydrophobicContact CG2-CE2 3.8Å; T393-F397 HydrophobicContact CG2-CZ 3.8Å; T393-F397 WeakPolarHBondContact O-CB 3.5Å; T393-F397 WeakPolarHBondContact O-CG 3.35Å; T393-F397 PolarHBondContact O-N 2.88Å; T393-L440 HydrophobicContact CG2-CD1 4.42Å; T393-Y498 WeakPolarHBondContact OG1-CE1 3.42Å; T393-Y498 PolarHBondContact OG1-OH 3.43Å
394	G	98.4	Very high	97.2	Very high	45 Å²	45	29.1 Å²	29.1	46%	0.464	16%	0.163	S	C	.	.	H	α-helix	trans	-62.7	-44.7	177.8	0	0	0	0	0	113	E390 V391 V392 G398	E390-G394 PolarHBondContact O-N 3.22Å; V391-G394 PolarHBondContact O-N 3Å; V392-G394 PolarHBondContact O-N 3.14Å; G394-G398 PolarHBondContact O-N 2.69Å
395	G	98.3	Very high	97.6	Very high	9 Å²	9	27.3 Å²	27.3	9%	0.093	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-44.2	176.9	0	0	0	0	0	112.8	V391 V392 G398 I399 R547	V391-G395 PolarHBondContact O-N 2.82Å; V392-G395 PolarHBondContact O-N 2.8Å; G395-G398 PolarHBondContact O-N 3.16Å; G395-I399 WeakPolarHBondContact O-CD1 3.42Å; G395-I399 VanDerWaalsContact O-CG1 3.31Å; G395-I399 WeakPolarHBondContact O-CG1 3.3Å; G395-I399 PolarHBondContact O-N 3.33Å; G395-R547 WeakPolarHBondContact CA-O 3.32Å
396	L	98.4	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-52.2	175.3	-179.3	155.5	0	0	0	110.4	V392 T393 G398 I399 Y400 Y498 F499 F502	V392-L396 WeakPolarHBondContact O-CB 3.41Å; V392-L396 PolarHBondContact O-N 2.89Å; T393-L396 PolarHBondContact O-N 3.26Å; L396-G398 VanDerWaalsContact C-N 3.35Å; L396-G398 PolarHBondContact O-N 3.29Å; L396-I399 PolarHBondContact O-N 2.9Å; L396-Y400 HydrophobicContact CD2-CD2 3.82Å; L396-Y400 HydrophobicContact CD2-CE2 4.07Å; L396-Y400 HydrophobicContact CG-CD2 3.98Å; L396-Y400 HydrophobicContact CG-CE2 3.97Å; L396-Y400 VanDerWaalsContact O-CD2 3.32Å; L396-Y400 WeakPolarHBondContact O-CD2 3.46Å; L396-Y400 PolarHBondContact O-N 3.4Å; L396-Y498 HydrophobicContact CD1-CD1 4.15Å; L396-Y498 HydrophobicContact CD1-CD2 3.48Å; L396-Y498 VanDerWaalsContact CD1-CD2 3.48Å; L396-Y498 HydrophobicContact CD1-CE1 4.48Å; L396-Y498 HydrophobicContact CD1-CE2 3.88Å; L396-Y498 HydrophobicContact CD1-CG 3.63Å; L396-F499 HydrophobicContact CB-CE2 3.93Å; L396-F499 HydrophobicContact CB-CZ 4.06Å; L396-F499 HydrophobicContact CD1-CD2 3.77Å; L396-F499 HydrophobicContact CD1-CE2 3.85Å; L396-F499 HydrophobicContact CD1-CG 4.32Å; L396-F499 HydrophobicContact CD1-CZ 4.45Å; L396-F499 HydrophobicContact CG-CD2 4.31Å; L396-F499 HydrophobicContact CG-CE2 3.98Å; L396-F499 HydrophobicContact CG-CZ 4.11Å; L396-F502 HydrophobicContact CD1-CB 4.3Å; L396-F502 HydrophobicContact CD2-CB 4.12Å; L396-F502 HydrophobicContact CD2-CD1 3.52Å; L396-F502 HydrophobicContact CD2-CD2 4Å; L396-F502 HydrophobicContact CD2-CE1 3.8Å; L396-F502 HydrophobicContact CD2-CE2 4.28Å; L396-F502 HydrophobicContact CD2-CG 3.6Å; L396-F502 HydrophobicContact CD2-CZ 4.18Å
397	F	98.6	Very high	97.9	Very high	19 Å²	19	26.2 Å²	26.2	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-46.7	175.9	-74.5	-1	0	0	0	112	T393 I399 Y400 Q401 F408 Y424 F438 L440 F502	T393-F397 HydrophobicContact CG2-CD1 4.49Å; T393-F397 HydrophobicContact CG2-CD2 4.17Å; T393-F397 HydrophobicContact CG2-CE1 4.15Å; T393-F397 HydrophobicContact CG2-CE2 3.8Å; T393-F397 HydrophobicContact CG2-CZ 3.8Å; T393-F397 WeakPolarHBondContact O-CB 3.5Å; T393-F397 WeakPolarHBondContact O-CG 3.35Å; T393-F397 PolarHBondContact O-N 2.88Å; F397-I399 VanDerWaalsContact C-N 3.3Å; F397-I399 PolarHBondContact O-N 3.11Å; F397-Y400 PolarHBondContact O-N 3.43Å; F397-Q401 VanDerWaalsContact O-CB 3.26Å; F397-Q401 WeakPolarHBondContact O-CB 3.38Å; F397-Q401 WeakPolarHBondContact O-CG 3.5Å; F397-Q401 PolarHBondContact O-N 3.32Å; F397-Q401 PolarHBondContact O-NE2 3.34Å; F397-F408 HydrophobicContact CB-CD2 3.83Å; F397-F408 HydrophobicContact CB-CE2 4.36Å; F397-F408 AromaticContact CD1-CD2 3.83Å; F397-F408 HydrophobicContact CD1-CD2 3.83Å; F397-F408 HydrophobicContact CD1-CE2 4.18Å; F397-F408 HydrophobicContact CD2-CB 4.47Å; F397-F408 HydrophobicContact CD2-CD2 4.24Å; F397-F408 HydrophobicContact CE1-CD2 4.45Å; F397-F408 AromaticContact CG-CD2 3.71Å; F397-F408 HydrophobicContact CG-CD2 3.71Å; F397-F408 HydrophobicContact CG-CE2 4.38Å; F397-Y424 AromaticContact CE2-CD1 3.85Å; F397-Y424 HydrophobicContact CE2-CD1 3.85Å; F397-Y424 AromaticContact CE2-CE1 3.54Å; F397-Y424 HydrophobicContact CE2-CE1 3.54Å; F397-Y424 HydrophobicContact CE2-CE2 4.29Å; F397-Y424 HydrophobicContact CE2-CG 4.36Å; F397-Y424 AromaticContact CE2-CZ 3.77Å; F397-Y424 HydrophobicContact CZ-CD1 4.25Å; F397-Y424 HydrophobicContact CZ-CD2 4.22Å; F397-Y424 HydrophobicContact CZ-CE1 4.12Å; F397-Y424 HydrophobicContact CZ-CE2 4.08Å; F397-Y424 HydrophobicContact CZ-CG 4.3Å; F397-F438 AromaticContact CE1-CE2 3.91Å; F397-F438 HydrophobicContact CE1-CE2 3.91Å; F397-F438 AromaticContact CE1-CZ 3.89Å; F397-F438 HydrophobicContact CE1-CZ 3.89Å; F397-F438 AromaticContact CZ-CE2 3.74Å; F397-F438 HydrophobicContact CZ-CE2 3.74Å; F397-F438 AromaticContact CZ-CZ 3.79Å; F397-F438 HydrophobicContact CZ-CZ 3.79Å; F397-L440 HydrophobicContact CE1-CD1 4.13Å; F397-L440 HydrophobicContact CZ-CD1 3.66Å; F397-F502 HydrophobicContact CD1-CE1 4.4Å; F397-F502 HydrophobicContact CD1-CE2 4.29Å; F397-F502 AromaticContact CD1-CZ 3.87Å; F397-F502 HydrophobicContact CD1-CZ 3.87Å; F397-F502 AromaticContact CE1-CE2 3.66Å; F397-F502 HydrophobicContact CE1-CE2 3.66Å; F397-F502 AromaticContact CE1-CZ 3.63Å; F397-F502 HydrophobicContact CE1-CZ 3.63Å
398	G	98.4	Very high	98	Very high	27 Å²	27	27.2 Å²	27.2	28%	0.278	16%	0.159	S	C	.	.	H	α-helix	trans	-54.8	-44.7	177	0	0	0	0	0	113.1	G394 G395 L396 E402	G394-G398 PolarHBondContact O-N 2.69Å; G395-G398 PolarHBondContact O-N 3.16Å; L396-G398 VanDerWaalsContact C-N 3.35Å; L396-G398 PolarHBondContact O-N 3.29Å; G398-E402 WeakPolarHBondContact O-CB 3.39Å; G398-E402 PolarHBondContact O-N 3.17Å; G398-E402 VanDerWaalsContact O-N 3.15Å
399	I	98.5	Very high	98.1	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-50.7	178.7	-71.6	159	0	0	0	111.2	G395 L396 F397 E402 L403 F499 W538 P544 R547 M548 M660	G395-I399 WeakPolarHBondContact O-CD1 3.42Å; G395-I399 VanDerWaalsContact O-CG1 3.31Å; G395-I399 WeakPolarHBondContact O-CG1 3.3Å; G395-I399 PolarHBondContact O-N 3.33Å; L396-I399 PolarHBondContact O-N 2.9Å; F397-I399 VanDerWaalsContact C-N 3.3Å; F397-I399 PolarHBondContact O-N 3.11Å; I399-E402 PolarHBondContact O-N 2.92Å; I399-L403 VanDerWaalsContact O-CB 3.22Å; I399-L403 WeakPolarHBondContact O-CB 3.34Å; I399-L403 PolarHBondContact O-N 2.7Å; I399-F499 HydrophobicContact CD1-CE1 4.21Å; I399-F499 HydrophobicContact CD1-CZ 3.77Å; I399-F499 HydrophobicContact CG2-CE1 4.28Å; I399-W538 VanDerWaalsContact CG2-CD1 3.44Å; I399-W538 HydrophobicContact CG2-CG 4.27Å; I399-P544 HydrophobicContact CD1-CB 3.79Å; I399-R547 HydrophobicContact CD1-CB 4.5Å; I399-M548 HydrophobicContact CD1-CE 3.77Å; I399-M660 HydrophobicContact CB-CE 4.21Å; I399-M660 HydrophobicContact CG1-CE 4.1Å; I399-M660 HydrophobicContact CG1-SD 4.46Å; I399-M660 HydrophobicContact CG2-CE 4.06Å; I399-M660 HydrophobicContact CG2-SD 4.16Å
400	Y	98.1	Very high	98.1	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-38.9	-178.4	-85.1	-83.7	0	0	0	113	L396 F397 L403 L404 F499 F502 G503 M506 L535	L396-Y400 HydrophobicContact CD2-CD2 3.82Å; L396-Y400 HydrophobicContact CD2-CE2 4.07Å; L396-Y400 HydrophobicContact CG-CD2 3.98Å; L396-Y400 HydrophobicContact CG-CE2 3.97Å; L396-Y400 VanDerWaalsContact O-CD2 3.32Å; L396-Y400 WeakPolarHBondContact O-CD2 3.46Å; L396-Y400 PolarHBondContact O-N 3.4Å; F397-Y400 PolarHBondContact O-N 3.43Å; Y400-L403 PolarHBondContact O-N 3.11Å; Y400-L404 HydrophobicContact CD1-CD1 3.85Å; Y400-L404 HydrophobicContact CD1-CG 4.44Å; Y400-L404 WeakPolarHBondContact O-CB 3.28Å; Y400-L404 PolarHBondContact O-N 3.44Å; Y400-F499 AromaticContact CE2-CD1 4Å; Y400-F499 HydrophobicContact CE2-CD1 4Å; Y400-F499 HydrophobicContact CE2-CE1 4.1Å; Y400-F499 PolarHBondContact OH-O 3.46Å; Y400-F502 HydrophobicContact CD1-CD1 4.02Å; Y400-F502 HydrophobicContact CD1-CE1 4.28Å; Y400-F502 AromaticContact CD2-CD1 3.51Å; Y400-F502 HydrophobicContact CD2-CD1 3.51Å; Y400-F502 AromaticContact CD2-CE1 3.91Å; Y400-F502 HydrophobicContact CD2-CE1 3.91Å; Y400-F502 HydrophobicContact CE1-CD1 4.01Å; Y400-F502 HydrophobicContact CE2-CB 4.21Å; Y400-F502 AromaticContact CE2-CD1 3.54Å; Y400-F502 HydrophobicContact CE2-CD1 3.54Å; Y400-F502 HydrophobicContact CE2-CE1 4.39Å; Y400-F502 HydrophobicContact CE2-CG 4.3Å; Y400-F502 AromaticContact CG-CD1 3.75Å; Y400-F502 HydrophobicContact CG-CD1 3.75Å; Y400-F502 AromaticContact CG-CE1 3.83Å; Y400-F502 HydrophobicContact CG-CE1 3.83Å; Y400-F502 AromaticContact CZ-CD1 3.77Å; Y400-G503 WeakPolarHBondContact OH-CA 3.23Å; Y400-G503 PolarHBondContact OH-N 3.17Å; Y400-G503 VanDerWaalsContact OH-N 3.17Å; Y400-M506 HydrophobicContact CD1-CG 3.53Å; Y400-M506 HydrophobicContact CD1-SD 4.36Å; Y400-M506 HydrophobicContact CE1-CB 4.4Å; Y400-M506 HydrophobicContact CE1-CG 3.67Å; Y400-M506 HydrophobicContact CG-CG 4.4Å; Y400-L535 HydrophobicContact CE1-CD1 3.7Å; Y400-L535 HydrophobicContact CE1-CD2 3.79Å; Y400-L535 HydrophobicContact CE1-CG 4.26Å; Y400-L535 WeakPolarHBondContact OH-CB 3.44Å; Y400-L535 WeakPolarHBondContact OH-CD1 3.41Å
401	Q	98.6	Very high	98.2	Very high	55 Å²	55	29.4 Å²	29.4	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-59.7	-48.3	175.4	-74.9	177.5	139.1	0	0	111.7	F397 G405 L406 F408	F397-Q401 VanDerWaalsContact O-CB 3.26Å; F397-Q401 WeakPolarHBondContact O-CB 3.38Å; F397-Q401 WeakPolarHBondContact O-CG 3.5Å; F397-Q401 PolarHBondContact O-N 3.32Å; F397-Q401 PolarHBondContact O-NE2 3.34Å; Q401-G405 CarbonylContact O-C 3.46Å; Q401-G405 VanDerWaalsContact O-CA 3.3Å; Q401-G405 WeakPolarHBondContact O-CA 3.3Å; Q401-G405 PolarHBondContact O-N 3.46Å; Q401-L406 VanDerWaalsContact CA-O 3.31Å; Q401-L406 WeakPolarHBondContact CA-O 3.39Å; Q401-L406 WeakPolarHBondContact CB-O 3.44Å; Q401-L406 VanDerWaalsContact CG-O 3.3Å; Q401-L406 WeakPolarHBondContact CG-O 3.26Å; Q401-L406 PolarHBondContact O-N 2.96Å; Q401-F408 HydrophobicContact CG-CD2 3.61Å; Q401-F408 HydrophobicContact CG-CE2 3.7Å; Q401-F408 HydrophobicContact CG-CG 4.06Å; Q401-F408 HydrophobicContact CG-CZ 4.22Å
402	E	98.1	Very high	98	Very high	80 Å²	80	34.6 Å²	34.6	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-66.3	-46	178.3	-174.8	177.2	160.1	0	0	111.6	G398 I399 R547 M660	G398-E402 WeakPolarHBondContact O-CB 3.39Å; G398-E402 PolarHBondContact O-N 3.17Å; G398-E402 VanDerWaalsContact O-N 3.15Å; I399-E402 PolarHBondContact O-N 2.92Å; E402-R547 IonicContact OE1-NH2 3.58Å; E402-R547 IonicContact OE2-CZ 3.8Å; E402-R547 IonicContact OE2-NH1 3.3Å; E402-R547 PolarHBondContact OE2-NH1 3.39Å; E402-R547 IonicContact OE2-NH2 3.43Å; E402-M660 HydrophobicContact CB-CE 4.16Å; E402-M660 HydrophobicContact CG-CE 4.26Å
403	L	97.3	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-48.4	-175.9	-167	66.6	0	0	0	111.9	I399 Y400 L535 W538 F654 G665 K666	I399-L403 VanDerWaalsContact O-CB 3.22Å; I399-L403 WeakPolarHBondContact O-CB 3.34Å; I399-L403 PolarHBondContact O-N 2.7Å; Y400-L403 PolarHBondContact O-N 3.11Å; L403-L535 HydrophobicContact CD2-CD2 4.06Å; L403-W538 HydrophobicContact CD1-CZ2 3.99Å; L403-W538 HydrophobicContact CD2-CH2 4.21Å; L403-W538 HydrophobicContact CD2-CZ2 3.68Å; L403-F654 HydrophobicContact CD1-CD1 4.21Å; L403-F654 HydrophobicContact CD1-CE1 3.62Å; L403-F654 HydrophobicContact CD2-CE1 4.46Å; L403-F654 HydrophobicContact CG-CE1 4.35Å; L403-G665 CarbonylContact O-C 3.52Å; L403-G665 WeakPolarHBondContact O-CA 3.46Å; L403-K666 PolarHBondContact O-N 3.32Å
404	L	98.1	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-94.9	-4.3	-172.1	-55.6	-175.1	0	0	0	113.2	Y400 L406 M506 Y668 R669 L673	Y400-L404 HydrophobicContact CD1-CD1 3.85Å; Y400-L404 HydrophobicContact CD1-CG 4.44Å; Y400-L404 WeakPolarHBondContact O-CB 3.28Å; Y400-L404 PolarHBondContact O-N 3.44Å; L404-L406 HydrophobicContact CB-CD1 3.8Å; L404-L406 HydrophobicContact CB-CG 3.93Å; L404-L406 HydrophobicContact CD1-CD1 4.18Å; L404-M506 HydrophobicContact CD1-CB 3.82Å; L404-M506 HydrophobicContact CD1-CG 3.71Å; L404-M506 HydrophobicContact CD1-SD 3.95Å; L404-Y668 HydrophobicContact CD2-CD1 3.95Å; L404-Y668 HydrophobicContact CD2-CE1 4.33Å; L404-R669 HydrophobicContact CD2-CB 4.18Å; L404-R669 VanDerWaalsContact O-CD 3.23Å; L404-R669 WeakPolarHBondContact O-CD 3.36Å; L404-R669 PolarHBondContact O-NH1 3.47Å; L404-L673 HydrophobicContact CD1-CD1 4.23Å; L404-L673 HydrophobicContact CD2-CD1 4.33Å
405	G	98.3	Very high	97.4	Very high	4 Å²	4	40 Å²	40	4%	0.041	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	50.6	-176.6	0	0	0	0	0	112.2	Q401 S429	Q401-G405 CarbonylContact O-C 3.46Å; Q401-G405 VanDerWaalsContact O-CA 3.3Å; Q401-G405 WeakPolarHBondContact O-CA 3.3Å; Q401-G405 PolarHBondContact O-N 3.46Å; G405-S429 WeakPolarHBondContact CA-OG 3.37Å; G405-S429 WeakPolarHBondContact O-CB 3.35Å; G405-S429 PolarHBondContact O-N 3.44Å; G405-S429 PolarHBondContact O-OG 3.39Å
406	L	98.6	Very high	97.3	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	164.9	-176.1	-60.4	176.7	0	0	0	111.9	Q401 L404 F408 H427 I435 M506	Q401-L406 VanDerWaalsContact CA-O 3.31Å; Q401-L406 WeakPolarHBondContact CA-O 3.39Å; Q401-L406 WeakPolarHBondContact CB-O 3.44Å; Q401-L406 VanDerWaalsContact CG-O 3.3Å; Q401-L406 WeakPolarHBondContact CG-O 3.26Å; Q401-L406 PolarHBondContact O-N 2.96Å; L404-L406 HydrophobicContact CB-CD1 3.8Å; L404-L406 HydrophobicContact CB-CG 3.93Å; L404-L406 HydrophobicContact CD1-CD1 4.18Å; L406-F408 HydrophobicContact CB-CE1 3.88Å; L406-F408 HydrophobicContact CB-CZ 4.26Å; L406-F408 HydrophobicContact CD1-CE1 3.94Å; L406-F408 HydrophobicContact CD1-CZ 4.16Å; L406-H427 CarbonylContact C-O 3.54Å; L406-H427 WeakPolarHBondContact CA-O 3.39Å; L406-H427 WeakPolarHBondContact CD2-O 3.41Å; L406-I435 HydrophobicContact CD1-CD1 4.02Å; L406-I435 HydrophobicContact CD2-CD1 3.45Å; L406-I435 VanDerWaalsContact CD2-CD1 3.45Å; L406-I435 HydrophobicContact CD2-CG1 4.19Å; L406-I435 HydrophobicContact CG-CD1 4.4Å; L406-M506 HydrophobicContact CD1-SD 3.95Å
407	T	98.5	Very high	97.2	Very high	51 Å²	51	42.5 Å²	42.5	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145	163.3	58.5	0	0	0	0	110	A426 H427	T407-A426 CarbonylContact O-C 3.51Å; T407-A426 WeakPolarHBondContact O-CA 3.43Å; T407-H427 PolarHBondContact N-O 2.95Å; T407-H427 PolarHBondContact O-N 3.45Å
408	F	98.6	Very high	97.2	Very high	21 Å²	21	43.3 Å²	43.3	9%	0.092	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.2	-179.8	-54.5	-37.5	0	0	0	110.5	F397 Q401 L406 S425 A426 F438 F502 M506	F397-F408 HydrophobicContact CB-CD2 3.83Å; F397-F408 HydrophobicContact CB-CE2 4.36Å; F397-F408 AromaticContact CD1-CD2 3.83Å; F397-F408 HydrophobicContact CD1-CD2 3.83Å; F397-F408 HydrophobicContact CD1-CE2 4.18Å; F397-F408 HydrophobicContact CD2-CB 4.47Å; F397-F408 HydrophobicContact CD2-CD2 4.24Å; F397-F408 HydrophobicContact CE1-CD2 4.45Å; F397-F408 AromaticContact CG-CD2 3.71Å; F397-F408 HydrophobicContact CG-CD2 3.71Å; F397-F408 HydrophobicContact CG-CE2 4.38Å; Q401-F408 HydrophobicContact CG-CD2 3.61Å; Q401-F408 HydrophobicContact CG-CE2 3.7Å; Q401-F408 HydrophobicContact CG-CG 4.06Å; Q401-F408 HydrophobicContact CG-CZ 4.22Å; L406-F408 HydrophobicContact CB-CE1 3.88Å; L406-F408 HydrophobicContact CB-CZ 4.26Å; L406-F408 HydrophobicContact CD1-CE1 3.94Å; L406-F408 HydrophobicContact CD1-CZ 4.16Å; F408-S425 WeakPolarHBondContact CA-O 3.46Å; F408-A426 HydrophobicContact CD1-CB 3.74Å; F408-A426 HydrophobicContact CE1-CB 3.8Å; F408-F438 HydrophobicContact CB-CZ 4.46Å; F408-F438 AromaticContact CD1-CE1 3.94Å; F408-F438 HydrophobicContact CD1-CE1 3.94Å; F408-F438 HydrophobicContact CD1-CZ 4.43Å; F408-F438 HydrophobicContact CD2-CZ 4.46Å; F408-F438 HydrophobicContact CE1-CE1 4.31Å; F408-F438 HydrophobicContact CG-CE1 4.18Å; F408-F438 HydrophobicContact CG-CZ 4.21Å; F408-F502 HydrophobicContact CD2-CZ 4.47Å; F408-F502 AromaticContact CE2-CE1 3.88Å; F408-F502 HydrophobicContact CE2-CE1 3.88Å; F408-F502 AromaticContact CE2-CZ 3.92Å; F408-F502 HydrophobicContact CE2-CZ 3.92Å; F408-F502 HydrophobicContact CZ-CE1 4.08Å; F408-F502 HydrophobicContact CZ-CZ 4.2Å; F408-M506 HydrophobicContact CE1-CE 4.32Å; F408-M506 HydrophobicContact CE1-SD 4.17Å; F408-M506 HydrophobicContact CZ-CE 4.11Å; F408-M506 HydrophobicContact CZ-SD 3.71Å
409	E	98	Very high	97	Very high	118 Å²	118	50.2 Å²	50.2	55%	0.551	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.5	-178.5	-63.8	-172.3	-177.3	0	0	110.5	V411 Y424 S425	E409-V411 PolarHBondContact O-N 3.02Å; E409-Y424 CarbonylContact O-C 3.57Å; E409-Y424 VanDerWaalsContact O-CA 3.25Å; E409-Y424 WeakPolarHBondContact O-CA 3.47Å; E409-S425 PolarHBondContact N-O 3.46Å; E409-S425 PolarHBondContact O-N 2.58Å
410	E	97.7	Very high	96.8	Very high	70 Å²	70	53.3 Å²	53.3	33%	0.327	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	126	177.6	-167.4	-169.3	138.2	0	0	110.5	K412 Y424	E410-K412 PolarHBondContact O-N 3.13Å; E410-K412 IonicContact OE1-NZ 2.9Å; E410-K412 PolarHBondContact OE1-NZ 2.72Å; E410-K412 IonicContact OE2-NZ 3.89Å; E410-K412 PolarHBondContact OE2-NZ 3.16Å; E410-Y424 HydrophobicContact CB-CD1 3.89Å; E410-Y424 HydrophobicContact CB-CE1 3.63Å; E410-Y424 HydrophobicContact CG-CD1 4.36Å; E410-Y424 HydrophobicContact CG-CE1 3.93Å
411	V	97.1	Very high	96.8	Very high	50 Å²	50	53.7 Å²	53.7	30%	0.303	29%	0.289	S	S	.	.			trans	-81.4	99.3	175.5	-175.4	0	0	0	0	108.9	E409 A414 L423	E409-V411 PolarHBondContact O-N 3.02Å; V411-A414 HydrophobicContact CB-CB 4.27Å; V411-A414 HydrophobicContact CG1-CB 4.1Å; V411-A414 WeakPolarHBondContact O-CB 3.36Å; V411-A414 PolarHBondContact O-N 2.92Å; V411-L423 HydrophobicContact CB-CB 4.23Å; V411-L423 HydrophobicContact CB-CD2 4.07Å; V411-L423 HydrophobicContact CB-CG 4.05Å; V411-L423 HydrophobicContact CG1-CD2 4.23Å; V411-L423 HydrophobicContact CG2-CD2 4.19Å; V411-L423 HydrophobicContact CG2-CG 4.01Å; V411-L423 PolarHBondContact N-O 2.88Å
412	K	94.1	Very high	96.8	Very high	153 Å²	153	55.6 Å²	55.6	67%	0.665	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	136.4	179.9	-60.6	-63.3	175.5	-175	0	111.4	E410 A414	E410-K412 PolarHBondContact O-N 3.13Å; E410-K412 IonicContact OE1-NZ 2.9Å; E410-K412 PolarHBondContact OE1-NZ 2.72Å; E410-K412 IonicContact OE2-NZ 3.89Å; E410-K412 PolarHBondContact OE2-NZ 3.16Å; K412-A414 VanDerWaalsContact C-N 3.25Å; K412-A414 PolarHBondContact O-N 3.27Å
413	G	91.5	Very high	96.8	Very high	90 Å²	90	52.2 Å²	52.2	93%	0.928	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	23.7	-179.5	0	0	0	0	0	113.8
414	A	94.9	Very high	96.9	Very high	25 Å²	25	53.2 Å²	53.2	21%	0.207	29%	0.285	C	S	.	.			trans	-58.9	147	178.2	0	0	0	0	0	112.4	V411 K412 V416 L423	V411-A414 HydrophobicContact CB-CB 4.27Å; V411-A414 HydrophobicContact CG1-CB 4.1Å; V411-A414 WeakPolarHBondContact O-CB 3.36Å; V411-A414 PolarHBondContact O-N 2.92Å; K412-A414 VanDerWaalsContact C-N 3.25Å; K412-A414 PolarHBondContact O-N 3.27Å; A414-V416 HydrophobicContact CB-CG1 4.25Å; A414-V416 PolarHBondContact O-N 3.35Å; A414-L423 HydrophobicContact CB-CB 3.59Å; A414-L423 HydrophobicContact CB-CD2 3.74Å; A414-L423 HydrophobicContact CB-CG 4.28Å
415	H	95	Very high	96.9	Very high	63 Å²	63	53.5 Å²	53.5	29%	0.292	29%	0.287	S	S	.	.			trans	-71.8	116.6	170.3	-174.3	-137.3	0	0	0	109.4	W51 D52	W51-H415 AromaticContact CD1-ND1 3.94Å; W51-H415 VanDerWaalsContact CD1-O 3.29Å; W51-H415 PolarHBondContact N-CE1 3.34Å; D52-H415 IonicContact OD1-CE1 2.78Å; D52-H415 IonicContact OD1-NE2 2.71Å
416	V	97.3	Very high	96.9	Very high	41 Å²	41	53.3 Å²	53.3	25%	0.248	29%	0.285	C	S	.	.			trans	-136.5	154.1	-173.6	-68.5	0	0	0	0	111.3	A414 H418 V421 Y439	A414-V416 HydrophobicContact CB-CG1 4.25Å; A414-V416 PolarHBondContact O-N 3.35Å; V416-H418 VanDerWaalsContact C-N 3.32Å; V416-H418 VanDerWaalsContact CG2-O 3.27Å; V416-H418 WeakPolarHBondContact CG2-O 3.45Å; V416-V421 HydrophobicContact CB-CB 4.02Å; V416-V421 HydrophobicContact CB-CG1 4.18Å; V416-V421 HydrophobicContact CG1-CB 4.12Å; V416-V421 HydrophobicContact CG1-CG1 3.9Å; V416-Y439 HydrophobicContact CG1-CD1 4.16Å; V416-Y439 HydrophobicContact CG1-CE1 3.99Å
417	W	96.9	Very high	96.9	Very high	19 Å²	19	55 Å²	55	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	-78.2	-12.5	178.6	52.7	84.8	0	0	0	114.4	W51 F109 V113 P115 V421 Y439 D441 A474	W51-W417 HydrophobicContact CB-CB 4.12Å; W51-W417 AromaticContact CD1-CE3 3.86Å; W51-W417 AromaticContact CD2-CE3 3.56Å; W51-W417 HydrophobicContact CD2-CE3 3.56Å; W51-W417 HydrophobicContact CD2-CZ3 4.02Å; W51-W417 AromaticContact CE2-CE3 3.52Å; W51-W417 AromaticContact CE2-CZ3 3.49Å; W51-W417 VanDerWaalsContact CE2-CZ3 3.49Å; W51-W417 HydrophobicContact CE3-CE3 4.11Å; W51-W417 HydrophobicContact CG-CB 4.48Å; W51-W417 AromaticContact CG-CE3 3.77Å; W51-W417 HydrophobicContact CG-CE3 3.77Å; W51-W417 HydrophobicContact CH2-CZ3 4.18Å; W51-W417 HydrophobicContact CZ2-CE3 4.02Å; W51-W417 AromaticContact CZ2-CZ3 3.57Å; W51-W417 HydrophobicContact CZ2-CZ3 3.57Å; W51-W417 AromaticContact NE1-CE3 3.69Å; W51-W417 AromaticContact NE1-CZ3 3.72Å; F109-W417 HydrophobicContact CE1-CD2 4.32Å; F109-W417 HydrophobicContact CE1-CE3 4.14Å; F109-W417 AromaticContact CE1-CH2 3.56Å; F109-W417 HydrophobicContact CE1-CH2 3.56Å; F109-W417 AromaticContact CE1-CZ2 3.76Å; F109-W417 HydrophobicContact CE1-CZ2 3.76Å; F109-W417 AromaticContact CE1-CZ3 3.77Å; F109-W417 HydrophobicContact CE1-CZ3 3.77Å; F109-W417 HydrophobicContact CZ-CH2 4.11Å; F109-W417 HydrophobicContact CZ-CZ2 4.06Å; V113-W417 HydrophobicContact CB-CG 4.27Å; V113-W417 HydrophobicContact CG2-CB 4.42Å; V113-W417 HydrophobicContact CG2-CD2 3.9Å; V113-W417 HydrophobicContact CG2-CG 3.75Å; P115-W417 WeakPolarHBondContact CD-O 3.41Å; W417-V421 HydrophobicContact CH2-CG1 4.31Å; W417-V421 HydrophobicContact CZ2-CG1 3.91Å; W417-V421 HydrophobicContact CZ2-CG2 4.34Å; W417-Y439 VanDerWaalsContact CH2-CB 3.46Å; W417-Y439 AromaticContact CH2-CD1 3.85Å; W417-Y439 HydrophobicContact CH2-CD1 3.85Å; W417-Y439 AromaticContact CH2-CD2 3.79Å; W417-Y439 HydrophobicContact CH2-CD2 3.79Å; W417-Y439 HydrophobicContact CH2-CE2 4.47Å; W417-Y439 AromaticContact CH2-CG 3.43Å; W417-Y439 HydrophobicContact CH2-CG 3.43Å; W417-Y439 VanDerWaalsContact CH2-CG 3.43Å; W417-Y439 HydrophobicContact CZ2-CG 4.42Å; W417-Y439 AromaticContact CZ3-CD1 3.83Å; W417-Y439 HydrophobicContact CZ3-CD1 3.83Å; W417-Y439 AromaticContact CZ3-CD2 3.88Å; W417-Y439 HydrophobicContact CZ3-CD2 3.88Å; W417-Y439 HydrophobicContact CZ3-CE1 4.06Å; W417-Y439 HydrophobicContact CZ3-CE2 4.11Å; W417-Y439 AromaticContact CZ3-CG 3.73Å; W417-Y439 HydrophobicContact CZ3-CG 3.73Å; W417-D441 HydrophobicContact CZ2-CB 4.18Å; W417-D441 PolarHBondContact NE1-OD2 2.87Å; W417-A474 HydrophobicContact CH2-CB 3.83Å; W417-A474 HydrophobicContact CZ2-CB 4.34Å
418	H	97.3	Very high	96.9	Very high	37 Å²	37	53.5 Å²	53.5	17%	0.171	28%	0.283	C	S	.	.	S	Bend	trans	-157.2	148.9	179.9	-171.5	-85	0	0	0	110.7	V416 D420 V421 R445	V416-H418 VanDerWaalsContact C-N 3.32Å; V416-H418 VanDerWaalsContact CG2-O 3.27Å; V416-H418 WeakPolarHBondContact CG2-O 3.45Å; H418-D420 VanDerWaalsContact C-N 3.33Å; H418-D420 IonicContact CE1-OD2 2.82Å; H418-D420 PolarHBondContact CE1-OD2 3.33Å; H418-D420 VanDerWaalsContact CE1-OD2 3.3Å; H418-D420 PolarHBondContact ND1-N 3.25Å; H418-D420 VanDerWaalsContact ND1-N 3.19Å; H418-D420 IonicContact ND1-OD2 2.58Å; H418-D420 PolarHBondContact O-N 3.41Å; H418-V421 HydrophobicContact CB-CG2 3.9Å; H418-V421 VanDerWaalsContact O-CB 3.32Å; H418-V421 WeakPolarHBondContact O-CB 3.47Å; H418-V421 WeakPolarHBondContact O-CG2 3.25Å; H418-V421 PolarHBondContact O-N 3.38Å; H418-V421 VanDerWaalsContact O-N 3.09Å; H418-R445 VanDerWaalsContact CD2-CD 3.47Å; H418-R445 WeakPolarHBondContact CD2-CD 3.13Å; H418-R445 WeakPolarHBondContact NE2-CD 3.19Å
419	E	95.6	Very high	96.8	Very high	172 Å²	172	55.4 Å²	55.4	80%	0.804	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-31.9	-174.5	63.5	-176.6	171.7	0	0	114.6	V421	E419-V421 PolarHBondContact O-N 3.39Å
420	D	94.3	Very high	96.7	Very high	65 Å²	65	56.7 Å²	56.7	35%	0.348	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.9	175.9	-67.5	-24.2	0	0	0	114.1	H418	H418-D420 VanDerWaalsContact C-N 3.33Å; H418-D420 IonicContact CE1-OD2 2.82Å; H418-D420 PolarHBondContact CE1-OD2 3.33Å; H418-D420 VanDerWaalsContact CE1-OD2 3.3Å; H418-D420 PolarHBondContact ND1-N 3.25Å; H418-D420 VanDerWaalsContact ND1-N 3.19Å; H418-D420 IonicContact ND1-OD2 2.58Å; H418-D420 PolarHBondContact O-N 3.41Å
421	V	98	Very high	96.7	Very high	9 Å²	9	58 Å²	58	6%	0.055	32%	0.317	C	S	.	.			trans	-86	133.9	-174	179.6	0	0	0	0	109.9	V416 W417 H418 E419 Y439 L440 D441	V416-V421 HydrophobicContact CB-CB 4.02Å; V416-V421 HydrophobicContact CB-CG1 4.18Å; V416-V421 HydrophobicContact CG1-CB 4.12Å; V416-V421 HydrophobicContact CG1-CG1 3.9Å; W417-V421 HydrophobicContact CH2-CG1 4.31Å; W417-V421 HydrophobicContact CZ2-CG1 3.91Å; W417-V421 HydrophobicContact CZ2-CG2 4.34Å; H418-V421 HydrophobicContact CB-CG2 3.9Å; H418-V421 VanDerWaalsContact O-CB 3.32Å; H418-V421 WeakPolarHBondContact O-CB 3.47Å; H418-V421 WeakPolarHBondContact O-CG2 3.25Å; H418-V421 PolarHBondContact O-N 3.38Å; H418-V421 VanDerWaalsContact O-N 3.09Å; E419-V421 PolarHBondContact O-N 3.39Å; V421-Y439 HydrophobicContact CG1-CD1 3.87Å; V421-Y439 HydrophobicContact CG1-CG 4.45Å; V421-L440 WeakPolarHBondContact CA-O 3.4Å; V421-D441 HydrophobicContact CG2-CB 3.96Å
422	K	98.1	Very high	96.6	Very high	95 Å²	95	58 Å²	58	41%	0.413	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137	175.7	-65.1	-179	-178.7	-179.5	0	110.3	Y424 Y439 L440	K422-Y424 HydrophobicContact CB-CD2 4.42Å; K422-Y424 HydrophobicContact CB-CE2 3.63Å; K422-Y439 CarbonylContact O-C 3.46Å; K422-Y439 WeakPolarHBondContact O-CA 3.5Å; K422-L440 PolarHBondContact N-O 3.44Å; K422-L440 PolarHBondContact O-N 3.09Å
423	L	98.6	Very high	96.7	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.7	172.1	178.4	61	0	0	0	109.4	V411 A414 Q437 F438 Y439	V411-L423 HydrophobicContact CB-CB 4.23Å; V411-L423 HydrophobicContact CB-CD2 4.07Å; V411-L423 HydrophobicContact CB-CG 4.05Å; V411-L423 HydrophobicContact CG1-CD2 4.23Å; V411-L423 HydrophobicContact CG2-CD2 4.19Å; V411-L423 HydrophobicContact CG2-CG 4.01Å; V411-L423 PolarHBondContact N-O 2.88Å; A414-L423 HydrophobicContact CB-CB 3.59Å; A414-L423 HydrophobicContact CB-CD2 3.74Å; A414-L423 HydrophobicContact CB-CG 4.28Å; L423-Q437 HydrophobicContact CD1-CB 3.91Å; L423-F438 WeakPolarHBondContact CD1-O 3.38Å; L423-Y439 HydrophobicContact CB-CD1 3.93Å; L423-Y439 HydrophobicContact CB-CE1 3.88Å; L423-Y439 HydrophobicContact CD1-CD1 3.84Å; L423-Y439 HydrophobicContact CD1-CD2 4.01Å; L423-Y439 HydrophobicContact CD1-CE1 3.72Å; L423-Y439 HydrophobicContact CD1-CE2 3.9Å; L423-Y439 HydrophobicContact CD1-CG 3.98Å; L423-Y439 HydrophobicContact CD2-CE1 4.08Å; L423-Y439 HydrophobicContact CG-CD1 4.39Å; L423-Y439 HydrophobicContact CG-CE1 4.1Å
424	Y	98.7	Very high	96.9	Very high	21 Å²	21	52.6 Å²	52.6	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.7	173.5	-64.4	-94.9	0	0	0	110.3	F397 E409 E410 K422 Q437 F438 L440	F397-Y424 AromaticContact CE2-CD1 3.85Å; F397-Y424 HydrophobicContact CE2-CD1 3.85Å; F397-Y424 AromaticContact CE2-CE1 3.54Å; F397-Y424 HydrophobicContact CE2-CE1 3.54Å; F397-Y424 HydrophobicContact CE2-CE2 4.29Å; F397-Y424 HydrophobicContact CE2-CG 4.36Å; F397-Y424 AromaticContact CE2-CZ 3.77Å; F397-Y424 HydrophobicContact CZ-CD1 4.25Å; F397-Y424 HydrophobicContact CZ-CD2 4.22Å; F397-Y424 HydrophobicContact CZ-CE1 4.12Å; F397-Y424 HydrophobicContact CZ-CE2 4.08Å; F397-Y424 HydrophobicContact CZ-CG 4.3Å; E409-Y424 CarbonylContact O-C 3.57Å; E409-Y424 VanDerWaalsContact O-CA 3.25Å; E409-Y424 WeakPolarHBondContact O-CA 3.47Å; E410-Y424 HydrophobicContact CB-CD1 3.89Å; E410-Y424 HydrophobicContact CB-CE1 3.63Å; E410-Y424 HydrophobicContact CG-CD1 4.36Å; E410-Y424 HydrophobicContact CG-CE1 3.93Å; K422-Y424 HydrophobicContact CB-CD2 4.42Å; K422-Y424 HydrophobicContact CB-CE2 3.63Å; Y424-Q437 CarbonylContact O-C 3.59Å; Y424-Q437 VanDerWaalsContact O-CA 3.23Å; Y424-Q437 WeakPolarHBondContact O-CA 3.42Å; Y424-Q437 WeakPolarHBondContact O-CB 3.36Å; Y424-F438 HydrophobicContact CD2-CD2 4.23Å; Y424-F438 AromaticContact CD2-CE2 3.61Å; Y424-F438 HydrophobicContact CD2-CE2 3.61Å; Y424-F438 HydrophobicContact CD2-CZ 4.09Å; Y424-F438 AromaticContact CG-CE2 3.8Å; Y424-F438 HydrophobicContact CG-CE2 3.8Å; Y424-F438 AromaticContact CG-CZ 3.78Å; Y424-F438 HydrophobicContact CG-CZ 3.78Å; Y424-F438 PolarHBondContact N-O 3.05Å; Y424-F438 PolarHBondContact O-N 2.91Å; Y424-L440 HydrophobicContact CD2-CD1 4.24Å; Y424-L440 HydrophobicContact CD2-CG 4.22Å; Y424-L440 HydrophobicContact CE2-CB 4.5Å; Y424-L440 HydrophobicContact CE2-CD1 3.74Å; Y424-L440 HydrophobicContact CE2-CG 4.07Å
425	S	98.3	Very high	97	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137	167.6	-172	0	0	0	0	110.2	F408 E409 H427 E434	F408-S425 WeakPolarHBondContact CA-O 3.46Å; E409-S425 PolarHBondContact N-O 3.46Å; E409-S425 PolarHBondContact O-N 2.58Å; S425-H427 PolarHBondContact OG-NE2 3.35Å; S425-E434 VanDerWaalsContact OG-CD 3.26Å; S425-E434 WeakPolarHBondContact OG-CG 3.43Å; S425-E434 PolarHBondContact OG-OE1 3.04Å
426	A	98.4	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.6	178.1	0	0	0	0	0	110.2	T407 F408 I435 G436 F438 L509	T407-A426 CarbonylContact O-C 3.51Å; T407-A426 WeakPolarHBondContact O-CA 3.43Å; F408-A426 HydrophobicContact CD1-CB 3.74Å; F408-A426 HydrophobicContact CE1-CB 3.8Å; A426-I435 HydrophobicContact CB-CD1 4.4Å; A426-I435 HydrophobicContact CB-CG1 3.95Å; A426-I435 VanDerWaalsContact O-CG1 3.27Å; A426-I435 WeakPolarHBondContact O-CG1 3.46Å; A426-I435 PolarHBondContact O-N 2.91Å; A426-G436 PolarHBondContact N-O 3.37Å; A426-F438 HydrophobicContact CB-CE1 4.5Å; A426-L509 HydrophobicContact CB-CD1 4.1Å
427	H	98.4	Very high	97.2	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.181	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.1	179.6	-61.5	-96.2	0	0	0	111.2	L406 T407 S425 S429 G432 E433	L406-H427 CarbonylContact C-O 3.54Å; L406-H427 WeakPolarHBondContact CA-O 3.39Å; L406-H427 WeakPolarHBondContact CD2-O 3.41Å; T407-H427 PolarHBondContact N-O 2.95Å; T407-H427 PolarHBondContact O-N 3.45Å; S425-H427 PolarHBondContact OG-NE2 3.35Å; H427-S429 PolarHBondContact O-N 2.82Å; H427-G432 PolarHBondContact ND1-O 2.92Å; H427-E433 CarbonylContact C-O 3.59Å; H427-E433 VanDerWaalsContact CA-O 3.26Å; H427-E433 WeakPolarHBondContact CA-O 3.45Å
428	D	98	Very high	97.3	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.6	167.5	-169	-79.9	0	0	0	109.9	E430 T431 G432 E433 I435 R669	D428-E430 PolarHBondContact O-N 3.2Å; D428-E430 PolarHBondContact OD1-N 3.42Å; D428-T431 WeakPolarHBondContact CB-OG1 3.49Å; D428-T431 PolarHBondContact OD1-N 2.94Å; D428-T431 VanDerWaalsContact OD1-N 3.17Å; D428-G432 VanDerWaalsContact O-CA 3.24Å; D428-G432 WeakPolarHBondContact O-CA 3.15Å; D428-G432 PolarHBondContact O-N 3Å; D428-E433 PolarHBondContact N-O 2.97Å; D428-I435 HydrophobicContact CB-CG2 4.09Å; D428-R669 IonicContact OD2-CZ 2.69Å; D428-R669 VanDerWaalsContact OD2-CZ 3.3Å; D428-R669 IonicContact OD2-NH1 3.54Å; D428-R669 PolarHBondContact OD2-NH1 3.32Å; D428-R669 IonicContact OD2-NH2 3.46Å; D428-R669 PolarHBondContact OD2-NH2 2.94Å
429	S	97.3	Very high	97.4	Very high	61 Å²	61	44.8 Å²	44.8	43%	0.427	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22	-174	61.1	0	0	0	0	114.2	G405 H427	G405-S429 WeakPolarHBondContact CA-OG 3.37Å; G405-S429 WeakPolarHBondContact O-CB 3.35Å; G405-S429 PolarHBondContact O-N 3.44Å; G405-S429 PolarHBondContact O-OG 3.39Å; H427-S429 PolarHBondContact O-N 2.82Å
430	E	95.6	Very high	97.5	Very high	144 Å²	144	37 Å²	37	67%	0.673	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-43	-179.7	-66.8	-176.1	174.7	0	0	111.8	D428 K666	D428-E430 PolarHBondContact O-N 3.2Å; D428-E430 PolarHBondContact OD1-N 3.42Å; E430-K666 IonicContact OE1-NZ 2.76Å; E430-K666 PolarHBondContact OE1-NZ 3.15Å
431	T	96.7	Very high	97.7	Very high	97 Å²	97	33.9 Å²	33.9	60%	0.595	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-19.1	-175	72.1	0	0	0	0	113.5	D428 E433	D428-T431 WeakPolarHBondContact CB-OG1 3.49Å; D428-T431 PolarHBondContact OD1-N 2.94Å; D428-T431 VanDerWaalsContact OD1-N 3.17Å; T431-E433 PolarHBondContact O-N 2.88Å; T431-E433 VanDerWaalsContact OG1-CB 3.24Å; T431-E433 WeakPolarHBondContact OG1-CB 3.49Å; T431-E433 PolarHBondContact OG1-N 3.23Å; T431-E433 VanDerWaalsContact OG1-N 3.15Å
432	G	96.7	Very high	97.6	Very high	51 Å²	51	34.1 Å²	34.1	53%	0.526	19%	0.187	S	C	.	.			trans	71.4	2.5	-170.1	0	0	0	0	0	114	H427 D428 E434	H427-G432 PolarHBondContact ND1-O 2.92Å; D428-G432 VanDerWaalsContact O-CA 3.24Å; D428-G432 WeakPolarHBondContact O-CA 3.15Å; D428-G432 PolarHBondContact O-N 3Å; G432-E434 PolarHBondContact O-N 3.49Å
433	E	95.1	Very high	97.3	Very high	93 Å²	93	31 Å²	31	44%	0.435	17%	0.173	S	C	.	.			trans	-64.8	129.2	-179.4	-176.2	-176.5	-179.6	0	0	110.5	H427 D428 T431 I435	H427-E433 CarbonylContact C-O 3.59Å; H427-E433 VanDerWaalsContact CA-O 3.26Å; H427-E433 WeakPolarHBondContact CA-O 3.45Å; D428-E433 PolarHBondContact N-O 2.97Å; T431-E433 PolarHBondContact O-N 2.88Å; T431-E433 VanDerWaalsContact OG1-CB 3.24Å; T431-E433 WeakPolarHBondContact OG1-CB 3.49Å; T431-E433 PolarHBondContact OG1-N 3.23Å; T431-E433 VanDerWaalsContact OG1-N 3.15Å; E433-I435 PolarHBondContact O-N 3.4Å
434	E	96.4	Very high	96.8	Very high	36 Å²	36	32.9 Å²	32.9	17%	0.168	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	109.9	169.2	-169	-176.4	-158.6	0	0	109.9	R46 S425 G432 Q437 L470	R46-E434 PolarHBondContact NH1-O 3.4Å; R46-E434 IonicContact NH1-OE2 3.14Å; S425-E434 VanDerWaalsContact OG-CD 3.26Å; S425-E434 WeakPolarHBondContact OG-CG 3.43Å; S425-E434 PolarHBondContact OG-OE1 3.04Å; G432-E434 PolarHBondContact O-N 3.49Å; E434-Q437 PolarHBondContact OE1-NE2 3.48Å; E434-L470 HydrophobicContact CB-CD1 4.47Å; E434-L470 HydrophobicContact CG-CD1 3.88Å
435	I	96.5	Very high	96.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.015	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-22.9	-175.1	63.8	152.4	0	0	0	113.1	L406 A426 D428 E433 R468 P471	L406-I435 HydrophobicContact CD1-CD1 4.02Å; L406-I435 HydrophobicContact CD2-CD1 3.45Å; L406-I435 VanDerWaalsContact CD2-CD1 3.45Å; L406-I435 HydrophobicContact CD2-CG1 4.19Å; L406-I435 HydrophobicContact CG-CD1 4.4Å; A426-I435 HydrophobicContact CB-CD1 4.4Å; A426-I435 HydrophobicContact CB-CG1 3.95Å; A426-I435 VanDerWaalsContact O-CG1 3.27Å; A426-I435 WeakPolarHBondContact O-CG1 3.46Å; A426-I435 PolarHBondContact O-N 2.91Å; D428-I435 HydrophobicContact CB-CG2 4.09Å; E433-I435 PolarHBondContact O-N 3.4Å; I435-R468 PolarHBondContact O-NH1 3.06Å; I435-P471 WeakPolarHBondContact O-CD 3.45Å; I435-P471 WeakPolarHBondContact O-CG 3.34Å
436	G	97.8	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	176.3	-178.7	0	0	0	0	0	112.7	A426 P471	A426-G436 PolarHBondContact N-O 3.37Å; G436-P471 CarbonylContact C-O 3.4Å; G436-P471 VanDerWaalsContact CA-O 3.23Å; G436-P471 WeakPolarHBondContact CA-O 3.39Å
437	Q	98.6	Very high	94.8	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	154.1	172.3	-63.4	-178.8	-14.1	0	0	111.1	N47 L423 Y424 E434 L470 P471 V472 A473 L509	N47-Q437 VanDerWaalsContact CB-OE1 3.26Å; N47-Q437 PolarHBondContact ND2-OE1 3.49Å; L423-Q437 HydrophobicContact CD1-CB 3.91Å; Y424-Q437 CarbonylContact O-C 3.59Å; Y424-Q437 VanDerWaalsContact O-CA 3.23Å; Y424-Q437 WeakPolarHBondContact O-CA 3.42Å; Y424-Q437 WeakPolarHBondContact O-CB 3.36Å; E434-Q437 PolarHBondContact OE1-NE2 3.48Å; Q437-L470 HydrophobicContact CG-CD2 4.01Å; Q437-P471 PolarHBondContact N-O 3.26Å; Q437-V472 HydrophobicContact CB-CG1 4.47Å; Q437-V472 HydrophobicContact CB-CG2 4.31Å; Q437-V472 VanDerWaalsContact O-CA 3.27Å; Q437-V472 WeakPolarHBondContact O-CA 3.42Å; Q437-A473 PolarHBondContact O-N 2.98Å; Q437-L509 WeakPolarHBondContact O-CD2 3.33Å
438	F	98.8	Very high	94.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	140.2	175.1	63.4	-87.8	0	0	0	113.1	F397 F408 L423 Y424 A426 L440 A473 F502 V505 M506 L509	F397-F438 AromaticContact CE1-CE2 3.91Å; F397-F438 HydrophobicContact CE1-CE2 3.91Å; F397-F438 AromaticContact CE1-CZ 3.89Å; F397-F438 HydrophobicContact CE1-CZ 3.89Å; F397-F438 AromaticContact CZ-CE2 3.74Å; F397-F438 HydrophobicContact CZ-CE2 3.74Å; F397-F438 AromaticContact CZ-CZ 3.79Å; F397-F438 HydrophobicContact CZ-CZ 3.79Å; F408-F438 HydrophobicContact CB-CZ 4.46Å; F408-F438 AromaticContact CD1-CE1 3.94Å; F408-F438 HydrophobicContact CD1-CE1 3.94Å; F408-F438 HydrophobicContact CD1-CZ 4.43Å; F408-F438 HydrophobicContact CD2-CZ 4.46Å; F408-F438 HydrophobicContact CE1-CE1 4.31Å; F408-F438 HydrophobicContact CG-CE1 4.18Å; F408-F438 HydrophobicContact CG-CZ 4.21Å; L423-F438 WeakPolarHBondContact CD1-O 3.38Å; Y424-F438 HydrophobicContact CD2-CD2 4.23Å; Y424-F438 AromaticContact CD2-CE2 3.61Å; Y424-F438 HydrophobicContact CD2-CE2 3.61Å; Y424-F438 HydrophobicContact CD2-CZ 4.09Å; Y424-F438 AromaticContact CG-CE2 3.8Å; Y424-F438 HydrophobicContact CG-CE2 3.8Å; Y424-F438 AromaticContact CG-CZ 3.78Å; Y424-F438 HydrophobicContact CG-CZ 3.78Å; Y424-F438 PolarHBondContact N-O 3.05Å; Y424-F438 PolarHBondContact O-N 2.91Å; A426-F438 HydrophobicContact CB-CE1 4.5Å; F438-L440 HydrophobicContact CD2-CD2 3.89Å; F438-L440 HydrophobicContact CD2-CG 4.03Å; F438-L440 HydrophobicContact CE2-CD1 4.23Å; F438-L440 HydrophobicContact CE2-CD2 4.02Å; F438-L440 HydrophobicContact CE2-CG 3.94Å; F438-A473 CarbonylContact C-O 3.5Å; F438-A473 WeakPolarHBondContact CA-O 3.3Å; F438-F502 AromaticContact CD2-CE2 3.93Å; F438-F502 HydrophobicContact CD2-CE2 3.93Å; F438-F502 HydrophobicContact CE1-CE2 4.46Å; F438-F502 HydrophobicContact CE1-CZ 4.16Å; F438-F502 AromaticContact CE2-CE2 3.53Å; F438-F502 HydrophobicContact CE2-CE2 3.53Å; F438-F502 AromaticContact CE2-CZ 3.94Å; F438-F502 HydrophobicContact CE2-CZ 3.94Å; F438-F502 AromaticContact CZ-CE2 3.81Å; F438-F502 HydrophobicContact CZ-CE2 3.81Å; F438-F502 AromaticContact CZ-CZ 3.7Å; F438-F502 HydrophobicContact CZ-CZ 3.7Å; F438-V505 HydrophobicContact CB-CG1 3.51Å; F438-V505 HydrophobicContact CD1-CG1 4.26Å; F438-V505 HydrophobicContact CD2-CG1 4.39Å; F438-V505 HydrophobicContact CG-CG1 3.82Å; F438-M506 HydrophobicContact CD1-CE 4.5Å; F438-L509 HydrophobicContact CB-CD1 4.21Å; F438-L509 HydrophobicContact CD1-CD1 3.8Å; F438-L509 HydrophobicContact CG-CD1 4.47Å
439	Y	98.8	Very high	93.6	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.6	170.3	-62.6	-89.8	0	0	0	110.5	N47 L49 W51 V416 W417 V421 K422 L423 L457 V472 A473 A474 M475	N47-Y439 PolarHBondContact ND2-OH 3.34Å; L49-Y439 HydrophobicContact CD1-CE2 4.4Å; W51-Y439 HydrophobicContact CZ2-CE2 4.02Å; W51-Y439 AromaticContact NE1-CE1 3.93Å; W51-Y439 AromaticContact NE1-CZ 3.46Å; W51-Y439 PolarHBondContact NE1-OH 3.14Å; V416-Y439 HydrophobicContact CG1-CD1 4.16Å; V416-Y439 HydrophobicContact CG1-CE1 3.99Å; W417-Y439 VanDerWaalsContact CH2-CB 3.46Å; W417-Y439 AromaticContact CH2-CD1 3.85Å; W417-Y439 HydrophobicContact CH2-CD1 3.85Å; W417-Y439 AromaticContact CH2-CD2 3.79Å; W417-Y439 HydrophobicContact CH2-CD2 3.79Å; W417-Y439 HydrophobicContact CH2-CE2 4.47Å; W417-Y439 AromaticContact CH2-CG 3.43Å; W417-Y439 HydrophobicContact CH2-CG 3.43Å; W417-Y439 VanDerWaalsContact CH2-CG 3.43Å; W417-Y439 HydrophobicContact CZ2-CG 4.42Å; W417-Y439 AromaticContact CZ3-CD1 3.83Å; W417-Y439 HydrophobicContact CZ3-CD1 3.83Å; W417-Y439 AromaticContact CZ3-CD2 3.88Å; W417-Y439 HydrophobicContact CZ3-CD2 3.88Å; W417-Y439 HydrophobicContact CZ3-CE1 4.06Å; W417-Y439 HydrophobicContact CZ3-CE2 4.11Å; W417-Y439 AromaticContact CZ3-CG 3.73Å; W417-Y439 HydrophobicContact CZ3-CG 3.73Å; V421-Y439 HydrophobicContact CG1-CD1 3.87Å; V421-Y439 HydrophobicContact CG1-CG 4.45Å; K422-Y439 CarbonylContact O-C 3.46Å; K422-Y439 WeakPolarHBondContact O-CA 3.5Å; L423-Y439 HydrophobicContact CB-CD1 3.93Å; L423-Y439 HydrophobicContact CB-CE1 3.88Å; L423-Y439 HydrophobicContact CD1-CD1 3.84Å; L423-Y439 HydrophobicContact CD1-CD2 4.01Å; L423-Y439 HydrophobicContact CD1-CE1 3.72Å; L423-Y439 HydrophobicContact CD1-CE2 3.9Å; L423-Y439 HydrophobicContact CD1-CG 3.98Å; L423-Y439 HydrophobicContact CD2-CE1 4.08Å; L423-Y439 HydrophobicContact CG-CD1 4.39Å; L423-Y439 HydrophobicContact CG-CE1 4.1Å; Y439-L457 HydrophobicContact CD2-CD1 3.86Å; Y439-L457 HydrophobicContact CE2-CD1 4.02Å; Y439-V472 HydrophobicContact CD2-CG1 4.07Å; Y439-V472 HydrophobicContact CE2-CG1 3.66Å; Y439-A473 PolarHBondContact N-O 2.86Å; Y439-A474 HydrophobicContact CD2-CB 4.46Å; Y439-M475 PolarHBondContact O-N 3.14Å
440	L	98.7	Very high	92.5	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.8	167.4	-64.7	-172.4	0	0	0	109.7	T393 F397 V421 K422 Y424 F438 L442 M475 Y498 F502	T393-L440 HydrophobicContact CG2-CD1 4.42Å; F397-L440 HydrophobicContact CE1-CD1 4.13Å; F397-L440 HydrophobicContact CZ-CD1 3.66Å; V421-L440 WeakPolarHBondContact CA-O 3.4Å; K422-L440 PolarHBondContact N-O 3.44Å; K422-L440 PolarHBondContact O-N 3.09Å; Y424-L440 HydrophobicContact CD2-CD1 4.24Å; Y424-L440 HydrophobicContact CD2-CG 4.22Å; Y424-L440 HydrophobicContact CE2-CB 4.5Å; Y424-L440 HydrophobicContact CE2-CD1 3.74Å; Y424-L440 HydrophobicContact CE2-CG 4.07Å; F438-L440 HydrophobicContact CD2-CD2 3.89Å; F438-L440 HydrophobicContact CD2-CG 4.03Å; F438-L440 HydrophobicContact CE2-CD1 4.23Å; F438-L440 HydrophobicContact CE2-CD2 4.02Å; F438-L440 HydrophobicContact CE2-CG 3.94Å; L440-L442 HydrophobicContact CB-CD1 4.34Å; L440-L442 HydrophobicContact CB-CD2 4.3Å; L440-L442 HydrophobicContact CB-CG 4.14Å; L440-L442 HydrophobicContact CD1-CD1 4.43Å; L440-M475 HydrophobicContact CD2-CB 3.84Å; L440-M475 HydrophobicContact CD2-CG 4.43Å; L440-M475 HydrophobicContact CD2-SD 3.97Å; L440-Y498 VanDerWaalsContact CD1-OH 3.31Å; L440-Y498 WeakPolarHBondContact CD1-OH 3.35Å; L440-F502 HydrophobicContact CD2-CD2 4.49Å; L440-F502 HydrophobicContact CD2-CE2 4.39Å
441	D	98	Very high	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	86.9	177.3	-173.9	-8.6	0	0	0	109.8	W417 V421 R445 K448 M475 V476 A477	W417-D441 HydrophobicContact CZ2-CB 4.18Å; W417-D441 PolarHBondContact NE1-OD2 2.87Å; V421-D441 HydrophobicContact CG2-CB 3.96Å; D441-R445 IonicContact OD1-CZ 3.94Å; D441-R445 IonicContact OD1-NH1 2.9Å; D441-R445 PolarHBondContact OD1-NH1 3.43Å; D441-R445 IonicContact OD1-NH2 3.57Å; D441-R445 IonicContact OD2-CZ 2.8Å; D441-R445 IonicContact OD2-NH1 3.35Å; D441-R445 PolarHBondContact OD2-NH1 2.86Å; D441-R445 IonicContact OD2-NH2 2.66Å; D441-R445 PolarHBondContact OD2-NH2 2.85Å; D441-K448 VanDerWaalsContact C-NZ 3.35Å; D441-K448 VanDerWaalsContact CG-NZ 3.33Å; D441-K448 PolarHBondContact O-NZ 3.43Å; D441-K448 WeakPolarHBondContact OD1-CE 3.26Å; D441-K448 IonicContact OD1-NZ 3.61Å; D441-K448 PolarHBondContact OD1-NZ 2.84Å; D441-K448 IonicContact OD2-NZ 2.69Å; D441-M475 PolarHBondContact N-O 3.37Å; D441-V476 WeakPolarHBondContact O-CA 3.36Å; D441-A477 PolarHBondContact O-N 2.91Å
442	L	96.8	Very high	91.3	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.079	23%	0.23	C	C	.	.			trans	-102	-9.2	-158.6	-56.3	-178.9	0	0	0	115.4	L389 L440 M475 A477 F479 Y498	L389-L442 HydrophobicContact CD1-CD1 4Å; L389-L442 HydrophobicContact CD2-CD1 4.29Å; L440-L442 HydrophobicContact CB-CD1 4.34Å; L440-L442 HydrophobicContact CB-CD2 4.3Å; L440-L442 HydrophobicContact CB-CG 4.14Å; L440-L442 HydrophobicContact CD1-CD1 4.43Å; L442-M475 HydrophobicContact CD2-CE 4.17Å; L442-M475 HydrophobicContact CD2-SD 4.35Å; L442-A477 CarbonylContact C-O 3.53Å; L442-A477 HydrophobicContact CD2-CB 4.12Å; L442-A477 CarbonylContact O-C 3.58Å; L442-F479 HydrophobicContact CB-CD2 4.09Å; L442-F479 HydrophobicContact CD2-CD2 4.4Å; L442-F479 HydrophobicContact CD2-CE2 4.17Å; L442-F479 WeakPolarHBondContact O-CB 3.24Å; L442-F479 PolarHBondContact O-N 3.31Å; L442-Y498 HydrophobicContact CD1-CE1 4.13Å; L442-Y498 WeakPolarHBondContact CD1-OH 3.47Å; L442-Y498 HydrophobicContact CD2-CE2 4.43Å
443	H	91.9	Very high	91.1	Very high	30 Å²	30	38.6 Å²	38.6	14%	0.139	21%	0.212	C	C	.	.	S	Bend	trans	-111.7	145.5	-173.2	-66.7	-47.3	0	0	0	113.5	L389 K448 F479 K481	L389-H443 VanDerWaalsContact CD2-CE1 3.48Å; L389-H443 WeakPolarHBondContact CD2-CE1 3.47Å; H443-K448 VanDerWaalsContact O-CD 3.32Å; H443-K448 WeakPolarHBondContact O-CD 3.42Å; H443-K448 PolarHBondContact O-NZ 3.16Å; H443-F479 PolarHBondContact ND1-O 3.02Å; H443-K481 HydrophobicContact CB-CG 4.11Å
444	P	87.1	Confident	91.2	Very high	48 Å²	48	35.5 Å²	35.5	31%	0.312	20%	0.2	S	C	.	.			trans	-70.6	145.5	178.3	28.9	-35.5	0	0	0	112.3	N478 F479 K481	P444-N478 VanDerWaalsContact CA-OD1 3.25Å; P444-N478 WeakPolarHBondContact CA-OD1 3.2Å; P444-N478 HydrophobicContact CB-CB 4.17Å; P444-F479 WeakPolarHBondContact CD-O 3.1Å; P444-K481 HydrophobicContact CG-CG 4.27Å; P444-K481 WeakPolarHBondContact O-CE 3.36Å; P444-K481 PolarHBondContact O-NZ 3.48Å
445	R	90.2	Very high	91.2	Very high	37 Å²	37	35.6 Å²	35.6	14%	0.14	20%	0.2	C	C	.	.			trans	-155.3	163.7	170.2	61.5	-176.2	174.2	-85.1	-8.6	110.4	V113 H418 D441 G447 K448	V113-R445 PolarHBondContact O-NE 3.15Å; V113-R445 PolarHBondContact O-NH2 3.41Å; H418-R445 VanDerWaalsContact CD2-CD 3.47Å; H418-R445 WeakPolarHBondContact CD2-CD 3.13Å; H418-R445 WeakPolarHBondContact NE2-CD 3.19Å; D441-R445 IonicContact OD1-CZ 3.94Å; D441-R445 IonicContact OD1-NH1 2.9Å; D441-R445 PolarHBondContact OD1-NH1 3.43Å; D441-R445 IonicContact OD1-NH2 3.57Å; D441-R445 IonicContact OD2-CZ 2.8Å; D441-R445 IonicContact OD2-NH1 3.35Å; D441-R445 PolarHBondContact OD2-NH1 2.86Å; D441-R445 IonicContact OD2-NH2 2.66Å; D441-R445 PolarHBondContact OD2-NH2 2.85Å; R445-G447 PolarHBondContact O-N 3.34Å; R445-K448 HydrophobicContact CG-CB 3.67Å; R445-K448 HydrophobicContact CG-CD 4.11Å; R445-K448 HydrophobicContact CG-CG 4.45Å; R445-K448 WeakPolarHBondContact O-CB 3.34Å; R445-K448 PolarHBondContact O-N 3.26Å
446	E	83.1	Confident	91.2	Very high	173 Å²	173	36.4 Å²	36.4	81%	0.808	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	132	178.8	-171.3	-176.7	161.6	0	0	111.1	K448	E446-K448 PolarHBondContact O-N 2.87Å
447	G	79.8	Confident	91.2	Very high	33 Å²	33	36.4 Å²	36.4	34%	0.34	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	0.5	178.5	0	0	0	0	0	115.6	R120 R445	R120-G447 VanDerWaalsContact CD-O 3.31Å; R120-G447 WeakPolarHBondContact CD-O 3.48Å; R445-G447 PolarHBondContact O-N 3.34Å
448	K	89.8	Confident	91	Very high	18 Å²	18	36.3 Å²	36.3	8%	0.078	21%	0.21	C	C	.	.	S	Bend	trans	-81.8	146.8	172.6	-176.2	-171.4	175.5	175.2	0	110.9	Y112 D441 H443 R445 E446 G450 V476 A477	Y112-K448 CarbonylContact O-C 3.49Å; Y112-K448 VanDerWaalsContact O-CA 3.28Å; Y112-K448 WeakPolarHBondContact O-CA 3.22Å; D441-K448 VanDerWaalsContact C-NZ 3.35Å; D441-K448 VanDerWaalsContact CG-NZ 3.33Å; D441-K448 PolarHBondContact O-NZ 3.43Å; D441-K448 WeakPolarHBondContact OD1-CE 3.26Å; D441-K448 IonicContact OD1-NZ 3.61Å; D441-K448 PolarHBondContact OD1-NZ 2.84Å; D441-K448 IonicContact OD2-NZ 2.69Å; H443-K448 VanDerWaalsContact O-CD 3.32Å; H443-K448 WeakPolarHBondContact O-CD 3.42Å; H443-K448 PolarHBondContact O-NZ 3.16Å; R445-K448 HydrophobicContact CG-CB 3.67Å; R445-K448 HydrophobicContact CG-CD 4.11Å; R445-K448 HydrophobicContact CG-CG 4.45Å; R445-K448 WeakPolarHBondContact O-CB 3.34Å; R445-K448 PolarHBondContact O-N 3.26Å; E446-K448 PolarHBondContact O-N 2.87Å; K448-G450 PolarHBondContact O-N 3.17Å; K448-V476 HydrophobicContact CG-CG1 4.45Å; K448-A477 WeakPolarHBondContact CE-O 3.3Å; K448-A477 PolarHBondContact NZ-O 2.89Å
449	Y	81.4	Confident	90.9	Very high	77 Å²	77	36.8 Å²	36.8	30%	0.302	21%	0.213	S	C	.	.			trans	-50.9	124.7	170.4	-174.2	-112	0	0	0	111.6	Y112 H451 A453 F455 N478	Y112-Y449 AromaticContact CD1-CD2 3.86Å; Y112-Y449 HydrophobicContact CD1-CD2 3.86Å; Y112-Y449 HydrophobicContact CD1-CG 4.3Å; Y112-Y449 HydrophobicContact CE1-CD2 4.36Å; Y112-Y449 PolarHBondContact O-N 3.14Å; Y449-H451 HydrophobicContact CD1-CB 4.32Å; Y449-H451 WeakPolarHBondContact CD1-O 3.42Å; Y449-H451 HydrophobicContact CE1-CB 3.61Å; Y449-A453 HydrophobicContact CD1-CB 4.42Å; Y449-A453 HydrophobicContact CE1-CB 3.78Å; Y449-F455 HydrophobicContact CD1-CE2 4.36Å; Y449-F455 HydrophobicContact CD1-CZ 4.16Å; Y449-F455 HydrophobicContact CE1-CZ 4.37Å; Y449-F455 HydrophobicContact CG-CZ 4.44Å; Y449-N478 PolarHBondContact O-ND2 3.29Å
450	G	74.3	Confident	90.6	Very high	56 Å²	56	36.7 Å²	36.7	58%	0.577	21%	0.213	S	C	*	.	S	Bend	trans	-83.4	-9.4	-167.7	0	0	0	0	0	115.8	K448 N478	K448-G450 PolarHBondContact O-N 3.17Å; G450-N478 WeakPolarHBondContact CA-ND2 3.29Å; G450-N478 PolarHBondContact O-ND2 3.32Å; G450-N478 VanDerWaalsContact O-ND2 3.12Å
451	H	79.5	Confident	90.4	Very high	117 Å²	117	36.4 Å²	36.4	54%	0.542	21%	0.211	S	C	.	.	S	Bend	trans	-104.1	170	177.8	-58.6	-69	0	0	0	111.7	Y449 N478	Y449-H451 HydrophobicContact CD1-CB 4.32Å; Y449-H451 WeakPolarHBondContact CD1-O 3.42Å; Y449-H451 HydrophobicContact CE1-CB 3.61Å; H451-N478 PolarHBondContact O-ND2 3.18Å
452	A	88.3	Confident	90.1	Very high	31 Å²	31	43.7 Å²	43.7	26%	0.256	24%	0.239	S	C	.	.			trans	-82.1	139.5	165.7	0	0	0	0	0	109.1	V476 A477 T497 E501	A452-V476 CarbonylContact C-O 3.45Å; A452-V476 WeakPolarHBondContact CA-O 3.22Å; A452-A477 HydrophobicContact CB-CB 4.43Å; A452-T497 HydrophobicContact CB-CG2 3.31Å; A452-E501 HydrophobicContact CB-CG 3.84Å
453	A	91.8	Very high	89.7	Confident	17 Å²	17	43.3 Å²	43.3	14%	0.14	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	153.8	176.9	0	0	0	0	0	111.5	Y449 F455 V476 E501	Y449-A453 HydrophobicContact CD1-CB 4.42Å; Y449-A453 HydrophobicContact CE1-CB 3.78Å; A453-F455 HydrophobicContact CB-CD2 4.29Å; A453-F455 HydrophobicContact CB-CE2 3.71Å; A453-F455 HydrophobicContact CB-CZ 4.21Å; A453-V476 PolarHBondContact N-O 3.32Å; A453-V476 PolarHBondContact O-N 3.12Å; A453-E501 WeakPolarHBondContact CA-OE2 3.49Å
454	C	97.6	Very high	89.5	Confident	28 Å²	28	46.2 Å²	46.2	19%	0.189	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.3	162.7	179.6	0	0	0	0	110.6	A474 E501 H504 V505	C454-A474 WeakPolarHBondContact CA-O 3.48Å; C454-E501 PolarHBondContact N-OE2 3.42Å; C454-H504 HydrophobicContact CB-CB 3.45Å; C454-H504 VanDerWaalsContact CB-CB 3.45Å; C454-V505 HydrophobicContact CB-CG2 4.37Å
455	F	97	Very high	89.6	Confident	38 Å²	38	47.9 Å²	47.9	17%	0.167	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.1	174.4	-64.5	-99.6	0	0	0	109.4	F109 Y112 Y449 A453 L457 A473 A474 V476	F109-F455 HydrophobicContact CD2-CB 4.14Å; F109-F455 AromaticContact CD2-CD1 3.81Å; F109-F455 HydrophobicContact CD2-CD1 3.81Å; F109-F455 HydrophobicContact CD2-CE1 4.31Å; F109-F455 AromaticContact CD2-CG 3.92Å; F109-F455 HydrophobicContact CD2-CG 3.92Å; F109-F455 HydrophobicContact CE2-CB 3.77Å; F109-F455 AromaticContact CE2-CD1 3.75Å; F109-F455 HydrophobicContact CE2-CD1 3.75Å; F109-F455 AromaticContact CE2-CD2 3.65Å; F109-F455 HydrophobicContact CE2-CD2 3.65Å; F109-F455 HydrophobicContact CE2-CE1 4.21Å; F109-F455 HydrophobicContact CE2-CE2 4.12Å; F109-F455 AromaticContact CE2-CG 3.44Å; F109-F455 HydrophobicContact CE2-CG 3.44Å; F109-F455 VanDerWaalsContact CE2-CG 3.44Å; F109-F455 HydrophobicContact CE2-CZ 4.38Å; F109-F455 HydrophobicContact CZ-CD2 4.45Å; F109-F455 HydrophobicContact CZ-CG 4.47Å; Y112-F455 HydrophobicContact CD1-CE1 4.48Å; Y112-F455 HydrophobicContact CD1-CZ 4.43Å; Y112-F455 HydrophobicContact CD2-CD1 4.48Å; Y112-F455 AromaticContact CD2-CE1 3.76Å; Y112-F455 HydrophobicContact CD2-CE1 3.76Å; Y112-F455 HydrophobicContact CD2-CZ 4.3Å; Y112-F455 AromaticContact CE2-CE1 3.96Å; Y112-F455 HydrophobicContact CE2-CE1 3.96Å; Y112-F455 HydrophobicContact CG-CE1 4.04Å; Y112-F455 HydrophobicContact CG-CZ 4.13Å; Y449-F455 HydrophobicContact CD1-CE2 4.36Å; Y449-F455 HydrophobicContact CD1-CZ 4.16Å; Y449-F455 HydrophobicContact CE1-CZ 4.37Å; Y449-F455 HydrophobicContact CG-CZ 4.44Å; A453-F455 HydrophobicContact CB-CD2 4.29Å; A453-F455 HydrophobicContact CB-CE2 3.71Å; A453-F455 HydrophobicContact CB-CZ 4.21Å; F455-L457 HydrophobicContact CB-CD2 4.23Å; F455-L457 PolarHBondContact O-N 2.9Å; F455-A473 CarbonylContact O-C 3.58Å; F455-A473 VanDerWaalsContact O-CA 3.23Å; F455-A473 WeakPolarHBondContact O-CA 3.41Å; F455-A474 HydrophobicContact CB-CB 4.49Å; F455-A474 PolarHBondContact N-O 2.94Å; F455-A474 PolarHBondContact O-N 3.5Å; F455-V476 HydrophobicContact CD2-CB 4.29Å; F455-V476 HydrophobicContact CD2-CG2 3.72Å; F455-V476 HydrophobicContact CE2-CB 3.91Å; F455-V476 HydrophobicContact CE2-CG2 3.67Å
456	G	96.4	Very high	89.4	Confident	20 Å²	20	48.8 Å²	48.8	21%	0.206	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121	165.3	0	0	0	0	0	109.5	H105	H105-G456 PolarHBondContact CD2-O 3.49Å; H105-G456 PolarHBondContact NE2-O 2.93Å
457	L	96.4	Very high	89.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-37.6	-176.4	-59.7	178.8	0	0	0	112.4	L49 W51 H105 F109 Y439 F455 V472 A474	L49-L457 HydrophobicContact CD1-CB 3.78Å; L49-L457 HydrophobicContact CD1-CD1 4.03Å; W51-L457 HydrophobicContact CH2-CD1 3.76Å; W51-L457 HydrophobicContact CH2-CD2 4.2Å; W51-L457 HydrophobicContact CH2-CG 4.48Å; W51-L457 HydrophobicContact CZ2-CD1 3.76Å; H105-L457 HydrophobicContact CB-CD2 4.33Å; H105-L457 WeakPolarHBondContact CB-O 2.98Å; H105-L457 PolarHBondContact CD2-O 2.69Å; F109-L457 HydrophobicContact CB-CD2 4.16Å; F109-L457 HydrophobicContact CD1-CD2 3.83Å; F109-L457 HydrophobicContact CD2-CD2 3.97Å; F109-L457 HydrophobicContact CE1-CD2 4.16Å; F109-L457 HydrophobicContact CE2-CD2 4.33Å; F109-L457 HydrophobicContact CG-CD2 3.72Å; F109-L457 HydrophobicContact CZ-CD2 4.4Å; Y439-L457 HydrophobicContact CD2-CD1 3.86Å; Y439-L457 HydrophobicContact CE2-CD1 4.02Å; F455-L457 HydrophobicContact CB-CD2 4.23Å; F455-L457 PolarHBondContact O-N 2.9Å; L457-V472 WeakPolarHBondContact CA-O 3.31Å; L457-V472 HydrophobicContact CB-CB 4.36Å; L457-V472 HydrophobicContact CB-CG1 4.35Å; L457-V472 WeakPolarHBondContact CB-O 3.31Å; L457-V472 HydrophobicContact CD1-CG1 4.22Å; L457-V472 PolarHBondContact N-O 3.07Å; L457-A474 HydrophobicContact CD1-CB 3.73Å; L457-A474 HydrophobicContact CG-CB 4.24Å
458	L	95.9	Very high	90.3	Very high	13 Å²	13	48.3 Å²	48.3	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.4	172	-69.8	178.2	0	0	0	110.4	P48 L49 S102 P471 V472	P48-L458 HydrophobicContact CG-CD1 3.81Å; L49-L458 HydrophobicContact CD1-CD1 4.13Å; L49-L458 HydrophobicContact CD1-CG 4.07Å; L49-L458 HydrophobicContact CD2-CD1 4.09Å; L49-L458 HydrophobicContact CD2-CD2 3.82Å; L49-L458 HydrophobicContact CD2-CG 3.79Å; L49-L458 HydrophobicContact CG-CD1 3.81Å; L49-L458 HydrophobicContact CG-CD2 4.45Å; L49-L458 HydrophobicContact CG-CG 3.97Å; S102-L458 WeakPolarHBondContact O-CD2 3.13Å; L458-P471 WeakPolarHBondContact O-CA 3.22Å; L458-V472 HydrophobicContact CB-CB 4.04Å; L458-V472 HydrophobicContact CB-CG2 4.15Å; L458-V472 HydrophobicContact CD1-CB 4.31Å; L458-V472 HydrophobicContact CD1-CG2 3.8Å; L458-V472 HydrophobicContact CG-CB 4.29Å; L458-V472 HydrophobicContact CG-CG2 4.3Å; L458-V472 PolarHBondContact N-O 2.92Å; L458-V472 PolarHBondContact O-N 2.73Å; L458-V472 VanDerWaalsContact O-N 3.11Å
459	P	95.4	Very high	90.4	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.065	28%	0.284	C	S	.	.			trans	-75.4	137.7	179.7	30.1	-35.3	0	0	0	112.4	L98 A101 C461 T519	L98-P459 HydrophobicContact CD1-CB 4.5Å; L98-P459 HydrophobicContact CD1-CG 3.53Å; A101-P459 HydrophobicContact CB-CG 4.23Å; P459-C461 PolarHBondContact O-N 3.23Å; P459-T519 HydrophobicContact CB-CG2 3.93Å; P459-T519 WeakPolarHBondContact CB-OG1 3.23Å
460	G	93.6	Very high	91	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.021	27%	0.272	C	S	.	.			trans	-89.3	49.3	-179	0	0	0	0	0	115.6	R468	G460-R468 PolarHBondContact O-NE 3.49Å
461	C	94.2	Very high	92.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.007	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-111.1	-179	-176	69.2	0	0	0	0	114.3	L98 P459 R468 R469 T513 T514 T519	L98-C461 WeakPolarHBondContact CD1-SG 3.15Å; P459-C461 PolarHBondContact O-N 3.23Å; C461-R468 CarbonylContact O-C 3.59Å; C461-R468 WeakPolarHBondContact O-CA 3.39Å; C461-R469 PolarHBondContact O-N 3.38Å; C461-T513 VanDerWaalsContact CA-O 3.24Å; C461-T513 WeakPolarHBondContact CA-O 3.47Å; C461-T514 WeakPolarHBondContact CB-O 3.47Å; C461-T519 HydrophobicContact CB-CG2 3.51Å
462	R	90.8	Very high	93	Very high	152 Å²	152	40.2 Å²	40.2	57%	0.574	22%	0.219	S	C	*	.	B	Isolated β-bridge	trans	-74	135.9	172.1	-68.4	-177.5	178.2	-177	0.4	110.8	T513 T514	R462-T513 PolarHBondContact N-O 3.44Å; R462-T514 HydrophobicContact CB-CG2 4.49Å; R462-T514 PolarHBondContact N-O 2.98Å
463	G	88.8	Confident	93.5	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	21%	0.206	C	C	.	.			trans	-87.1	174	170.5	0	0	0	0	0	112.9	D465 G466 K467	G463-D465 PolarHBondContact O-N 3.12Å; G463-D465 VanDerWaalsContact O-N 3.1Å; G463-G466 WeakPolarHBondContact O-CA 3.49Å; G463-G466 PolarHBondContact O-N 3.36Å; G463-K467 PolarHBondContact N-O 3.36Å
464	P	87.4	Confident	93.8	Very high	90 Å²	90	37.9 Å²	37.9	58%	0.584	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-21	176.5	-15.4	21.9	0	0	0	114.1	N95 G466	N95-P464 HydrophobicContact CB-CG 4.37Å; N95-P464 WeakPolarHBondContact OD1-CG 3.47Å; P464-G466 PolarHBondContact O-N 3.01Å
465	D	89.4	Confident	93.9	Very high	83 Å²	83	36.6 Å²	36.6	44%	0.444	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.7	175.6	57.5	1.5	0	0	0	113	G463 K467 R469	G463-D465 PolarHBondContact O-N 3.12Å; G463-D465 VanDerWaalsContact O-N 3.1Å; D465-K467 PolarHBondContact O-N 3.34Å; D465-K467 WeakPolarHBondContact OD1-CB 3.34Å; D465-K467 PolarHBondContact OD1-N 3.45Å; D465-R469 IonicContact OD1-CZ 3.77Å; D465-R469 IonicContact OD1-NH1 3.56Å; D465-R469 PolarHBondContact OD1-NH1 3.45Å; D465-R469 IonicContact OD1-NH2 3.95Å; D465-R469 PolarHBondContact OD1-NH2 3.33Å; D465-R469 IonicContact OD2-CZ 3.33Å; D465-R469 IonicContact OD2-NH1 3.05Å; D465-R469 PolarHBondContact OD2-NH1 3.41Å; D465-R469 IonicContact OD2-NH2 3.36Å; D465-R469 PolarHBondContact OD2-NH2 3.1Å
466	G	87.3	Confident	93.9	Very high	56 Å²	56	34.8 Å²	34.8	58%	0.577	18%	0.183	S	C	*	.	S	Bend	trans	73.7	-0.1	-175.2	0	0	0	0	0	114.3	G463 P464	G463-G466 WeakPolarHBondContact O-CA 3.49Å; G463-G466 PolarHBondContact O-N 3.36Å; P464-G466 PolarHBondContact O-N 3.01Å
467	K	90.9	Very high	93.8	Very high	144 Å²	144	33.8 Å²	33.8	63%	0.626	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-90.8	145.4	-178.4	-63.3	-177.8	178.7	179.3	0	110.9	G463 D465	G463-K467 PolarHBondContact N-O 3.36Å; D465-K467 PolarHBondContact O-N 3.34Å; D465-K467 WeakPolarHBondContact OD1-CB 3.34Å; D465-K467 PolarHBondContact OD1-N 3.45Å
468	R	90.8	Very high	93.5	Very high	52 Å²	52	35.9 Å²	35.9	20%	0.196	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-69.9	131.3	173.7	-175.5	169.9	-177.3	-94.7	5	110.8	I435 G460 C461 L509 S511	I435-R468 PolarHBondContact O-NH1 3.06Å; G460-R468 PolarHBondContact O-NE 3.49Å; C461-R468 CarbonylContact O-C 3.59Å; C461-R468 WeakPolarHBondContact O-CA 3.39Å; R468-L509 PolarHBondContact NH2-O 2.98Å; R468-S511 PolarHBondContact NH2-O 3.48Å
469	R	91.9	Very high	93.1	Very high	89 Å²	89	35.6 Å²	35.6	34%	0.336	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-77.9	142.2	168.8	-58.1	-54.2	-175.6	-147.9	-3.1	109.4	L98 C461 D465 P471	L98-R469 HydrophobicContact CD2-CG 4.46Å; C461-R469 PolarHBondContact O-N 3.38Å; D465-R469 IonicContact OD1-CZ 3.77Å; D465-R469 IonicContact OD1-NH1 3.56Å; D465-R469 PolarHBondContact OD1-NH1 3.45Å; D465-R469 IonicContact OD1-NH2 3.95Å; D465-R469 PolarHBondContact OD1-NH2 3.33Å; D465-R469 IonicContact OD2-CZ 3.33Å; D465-R469 IonicContact OD2-NH1 3.05Å; D465-R469 PolarHBondContact OD2-NH1 3.41Å; D465-R469 IonicContact OD2-NH2 3.36Å; D465-R469 PolarHBondContact OD2-NH2 3.1Å; R469-P471 VanDerWaalsContact O-CD 3.31Å; R469-P471 WeakPolarHBondContact O-CD 3.47Å
470	L	94.3	Very high	92.3	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	19%	0.193	C	C	.	.			trans	-77.3	115.2	180	-174.5	71.5	0	0	0	108.2	R46 E434 Q437	R46-L470 HydrophobicContact CB-CD2 3.77Å; E434-L470 HydrophobicContact CB-CD1 4.47Å; E434-L470 HydrophobicContact CG-CD1 3.88Å; Q437-L470 HydrophobicContact CG-CD2 4.01Å
471	P	97.1	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.			trans	-67	146.4	175	27.4	-33	0	0	0	110.6	I435 G436 Q437 L458 R469 L509	I435-P471 WeakPolarHBondContact O-CD 3.45Å; I435-P471 WeakPolarHBondContact O-CG 3.34Å; G436-P471 CarbonylContact C-O 3.4Å; G436-P471 VanDerWaalsContact CA-O 3.23Å; G436-P471 WeakPolarHBondContact CA-O 3.39Å; Q437-P471 PolarHBondContact N-O 3.26Å; L458-P471 WeakPolarHBondContact O-CA 3.22Å; R469-P471 VanDerWaalsContact O-CD 3.31Å; R469-P471 WeakPolarHBondContact O-CD 3.47Å; P471-L509 HydrophobicContact CB-CD2 4.06Å; P471-L509 HydrophobicContact CG-CD2 4.21Å
472	V	98.3	Very high	91.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.4	174.8	-175.6	0	0	0	0	108.6	L49 Q437 Y439 L457 L458	L49-V472 HydrophobicContact CD1-CB 4.02Å; L49-V472 HydrophobicContact CD1-CG1 3.73Å; L49-V472 HydrophobicContact CD1-CG2 4.43Å; Q437-V472 HydrophobicContact CB-CG1 4.47Å; Q437-V472 HydrophobicContact CB-CG2 4.31Å; Q437-V472 VanDerWaalsContact O-CA 3.27Å; Q437-V472 WeakPolarHBondContact O-CA 3.42Å; Y439-V472 HydrophobicContact CD2-CG1 4.07Å; Y439-V472 HydrophobicContact CE2-CG1 3.66Å; L457-V472 WeakPolarHBondContact CA-O 3.31Å; L457-V472 HydrophobicContact CB-CB 4.36Å; L457-V472 HydrophobicContact CB-CG1 4.35Å; L457-V472 WeakPolarHBondContact CB-O 3.31Å; L457-V472 HydrophobicContact CD1-CG1 4.22Å; L457-V472 PolarHBondContact N-O 3.07Å; L458-V472 HydrophobicContact CB-CB 4.04Å; L458-V472 HydrophobicContact CB-CG2 4.15Å; L458-V472 HydrophobicContact CD1-CB 4.31Å; L458-V472 HydrophobicContact CD1-CG2 3.8Å; L458-V472 HydrophobicContact CG-CB 4.29Å; L458-V472 HydrophobicContact CG-CG2 4.3Å; L458-V472 PolarHBondContact N-O 2.92Å; L458-V472 PolarHBondContact O-N 2.73Å; L458-V472 VanDerWaalsContact O-N 3.11Å
473	A	98.4	Very high	90.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	162.7	175.8	0	0	0	0	0	111.4	Q437 F438 Y439 F455 V505 E508 L509	Q437-A473 PolarHBondContact O-N 2.98Å; F438-A473 CarbonylContact C-O 3.5Å; F438-A473 WeakPolarHBondContact CA-O 3.3Å; Y439-A473 PolarHBondContact N-O 2.86Å; F455-A473 CarbonylContact O-C 3.58Å; F455-A473 VanDerWaalsContact O-CA 3.23Å; F455-A473 WeakPolarHBondContact O-CA 3.41Å; A473-V505 HydrophobicContact CB-CG1 4.34Å; A473-E508 HydrophobicContact CB-CB 4.04Å; A473-E508 HydrophobicContact CB-CG 4.28Å; A473-L509 HydrophobicContact CB-CD2 4.06Å
474	A	98.6	Very high	90.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.5	169.9	0	0	0	0	0	110.2	F109 W417 Y439 C454 F455 L457	F109-A474 HydrophobicContact CE1-CB 4.24Å; F109-A474 HydrophobicContact CE2-CB 4.48Å; F109-A474 HydrophobicContact CZ-CB 3.74Å; W417-A474 HydrophobicContact CH2-CB 3.83Å; W417-A474 HydrophobicContact CZ2-CB 4.34Å; Y439-A474 HydrophobicContact CD2-CB 4.46Å; C454-A474 WeakPolarHBondContact CA-O 3.48Å; F455-A474 HydrophobicContact CB-CB 4.49Å; F455-A474 PolarHBondContact N-O 2.94Å; F455-A474 PolarHBondContact O-N 3.5Å; L457-A474 HydrophobicContact CD1-CB 3.73Å; L457-A474 HydrophobicContact CG-CB 4.24Å
475	M	98.4	Very high	89.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.1	167.9	-178.1	-174.4	167.1	0	0	109.2	Y439 L440 D441 L442 A477 F479 Y498 E501 F502 V505	Y439-M475 PolarHBondContact O-N 3.14Å; L440-M475 HydrophobicContact CD2-CB 3.84Å; L440-M475 HydrophobicContact CD2-CG 4.43Å; L440-M475 HydrophobicContact CD2-SD 3.97Å; D441-M475 PolarHBondContact N-O 3.37Å; L442-M475 HydrophobicContact CD2-CE 4.17Å; L442-M475 HydrophobicContact CD2-SD 4.35Å; M475-A477 HydrophobicContact CE-CB 4.27Å; M475-F479 HydrophobicContact CE-CE2 4.4Å; M475-F479 HydrophobicContact CE-CZ 4.37Å; M475-Y498 HydrophobicContact CE-CD2 3.17Å; M475-Y498 HydrophobicContact CE-CE2 3.63Å; M475-Y498 HydrophobicContact CE-CG 3.99Å; M475-Y498 HydrophobicContact SD-CD2 3.57Å; M475-Y498 VanDerWaalsContact SD-CD2 3.57Å; M475-Y498 HydrophobicContact SD-CE2 3.48Å; M475-Y498 WeakPolarHBondContact SD-CE2 3.35Å; M475-E501 HydrophobicContact CE-CB 3.61Å; M475-E501 HydrophobicContact CE-CG 4.16Å; M475-E501 HydrophobicContact CG-CB 3.91Å; M475-E501 HydrophobicContact SD-CB 3.99Å; M475-F502 HydrophobicContact SD-CD2 4.32Å; M475-V505 HydrophobicContact CB-CG2 3.85Å
476	V	97.6	Very high	89.5	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.5	178.3	-178.2	0	0	0	0	108	F109 V113 D441 K448 A452 A453 F455	F109-V476 HydrophobicContact CE2-CG2 4.34Å; F109-V476 HydrophobicContact CZ-CG2 4.1Å; V113-V476 HydrophobicContact CG1-CG2 4.04Å; D441-V476 WeakPolarHBondContact O-CA 3.36Å; K448-V476 HydrophobicContact CG-CG1 4.45Å; A452-V476 CarbonylContact C-O 3.45Å; A452-V476 WeakPolarHBondContact CA-O 3.22Å; A453-V476 PolarHBondContact N-O 3.32Å; A453-V476 PolarHBondContact O-N 3.12Å; F455-V476 HydrophobicContact CD2-CB 4.29Å; F455-V476 HydrophobicContact CD2-CG2 3.72Å; F455-V476 HydrophobicContact CE2-CB 3.91Å; F455-V476 HydrophobicContact CE2-CG2 3.67Å
477	A	93.9	Very high	89.7	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.275	C	S	.	.			trans	-142.6	171.2	175.8	0	0	0	0	0	111.5	D441 L442 K448 A452 M475 F479	D441-A477 PolarHBondContact O-N 2.91Å; L442-A477 CarbonylContact C-O 3.53Å; L442-A477 HydrophobicContact CD2-CB 4.12Å; L442-A477 CarbonylContact O-C 3.58Å; K448-A477 WeakPolarHBondContact CE-O 3.3Å; K448-A477 PolarHBondContact NZ-O 2.89Å; A452-A477 HydrophobicContact CB-CB 4.43Å; M475-A477 HydrophobicContact CE-CB 4.27Å; A477-F479 HydrophobicContact CB-CD1 4.41Å; A477-F479 HydrophobicContact CB-CD2 4.14Å; A477-F479 HydrophobicContact CB-CE1 4.11Å; A477-F479 HydrophobicContact CB-CE2 3.84Å; A477-F479 HydrophobicContact CB-CG 4.4Å; A477-F479 HydrophobicContact CB-CZ 3.81Å
478	N	89.8	Confident	89.8	Confident	44 Å²	44	50.4 Å²	50.4	24%	0.235	25%	0.247	C	C	.	.			trans	-128.5	44.7	-176.2	-68.9	-74.9	0	0	0	112	P444 Y449 G450 H451	P444-N478 VanDerWaalsContact CA-OD1 3.25Å; P444-N478 WeakPolarHBondContact CA-OD1 3.2Å; P444-N478 HydrophobicContact CB-CB 4.17Å; Y449-N478 PolarHBondContact O-ND2 3.29Å; G450-N478 WeakPolarHBondContact CA-ND2 3.29Å; G450-N478 PolarHBondContact O-ND2 3.32Å; G450-N478 VanDerWaalsContact O-ND2 3.12Å; H451-N478 PolarHBondContact O-ND2 3.18Å
479	F	89.4	Confident	89.8	Confident	7 Å²	7	48.4 Å²	48.4	3%	0.031	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.7	146.7	-179.6	-60.6	-34.6	0	0	0	112.4	L389 L442 H443 P444 M475 A477 K481 L490 E494 Y498	L389-F479 HydrophobicContact CD1-CD2 4.04Å; L442-F479 HydrophobicContact CB-CD2 4.09Å; L442-F479 HydrophobicContact CD2-CD2 4.4Å; L442-F479 HydrophobicContact CD2-CE2 4.17Å; L442-F479 WeakPolarHBondContact O-CB 3.24Å; L442-F479 PolarHBondContact O-N 3.31Å; H443-F479 PolarHBondContact ND1-O 3.02Å; P444-F479 WeakPolarHBondContact CD-O 3.1Å; M475-F479 HydrophobicContact CE-CE2 4.4Å; M475-F479 HydrophobicContact CE-CZ 4.37Å; A477-F479 HydrophobicContact CB-CD1 4.41Å; A477-F479 HydrophobicContact CB-CD2 4.14Å; A477-F479 HydrophobicContact CB-CE1 4.11Å; A477-F479 HydrophobicContact CB-CE2 3.84Å; A477-F479 HydrophobicContact CB-CG 4.4Å; A477-F479 HydrophobicContact CB-CZ 3.81Å; F479-K481 PolarHBondContact O-N 2.91Å; F479-L490 HydrophobicContact CB-CD2 3.55Å; F479-L490 HydrophobicContact CD1-CD2 4.19Å; F479-L490 HydrophobicContact CD2-CD1 4.41Å; F479-L490 HydrophobicContact CD2-CD2 4.13Å; F479-L490 HydrophobicContact CG-CD2 3.71Å; F479-E494 HydrophobicContact CD1-CB 3.77Å; F479-E494 HydrophobicContact CD1-CG 3.96Å; F479-E494 HydrophobicContact CE1-CB 3.81Å; F479-E494 HydrophobicContact CE1-CG 4.3Å; F479-E494 WeakPolarHBondContact CE1-O 3.47Å; F479-E494 WeakPolarHBondContact CZ-O 3.33Å; F479-Y498 HydrophobicContact CD2-CD1 4.5Å; F479-Y498 AromaticContact CE2-CD1 3.63Å; F479-Y498 HydrophobicContact CE2-CD1 3.63Å; F479-Y498 HydrophobicContact CE2-CD2 4.37Å; F479-Y498 HydrophobicContact CE2-CE1 4.17Å; F479-Y498 AromaticContact CE2-CG 3.75Å; F479-Y498 HydrophobicContact CE2-CG 3.75Å; F479-Y498 HydrophobicContact CZ-CD1 4.21Å; F479-Y498 AromaticContact CZ-CG 3.97Å; F479-Y498 HydrophobicContact CZ-CG 3.97Å
480	T	78.8	Confident	89.8	Confident	46 Å²	46	44.2 Å²	44.2	28%	0.282	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-49.8	121.1	-175.9	-60	0	0	0	0	112.2	S488 E494	T480-S488 VanDerWaalsContact O-CB 3.25Å; T480-S488 WeakPolarHBondContact O-CB 3.11Å; T480-S488 PolarHBondContact O-OG 3.42Å; T480-E494 PolarHBondContact N-OE1 2.72Å; T480-E494 PolarHBondContact OG1-OE1 3.15Å
481	K	80.1	Confident	89.7	Confident	89 Å²	89	47.8 Å²	47.8	39%	0.387	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-64.7	153.3	176.7	-73.8	-168.5	173.4	175.4	0	112.4	H443 P444 F479	H443-K481 HydrophobicContact CB-CG 4.11Å; P444-K481 HydrophobicContact CG-CG 4.27Å; P444-K481 WeakPolarHBondContact O-CE 3.36Å; P444-K481 PolarHBondContact O-NZ 3.48Å; F479-K481 PolarHBondContact O-N 2.91Å
482	P	84.8	Confident	89.4	Confident	79 Å²	79	48.8 Å²	48.8	51%	0.513	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-53.1	146.3	167.5	-22	32.4	0	0	0	112.1
483	R	79.9	Confident	89	Confident	190 Å²	190	53.4 Å²	53.4	72%	0.717	27%	0.267	S	S	*	.	B	Isolated β-bridge	trans	-125.8	165.9	176.4	-61.1	-177.7	-176.6	-172.8	0.1	109.7	G485 W486	R483-G485 PolarHBondContact O-N 3.1Å; R483-W486 PolarHBondContact N-O 3.08Å; R483-W486 CarbonylContact O-C 3.53Å; R483-W486 PolarHBondContact O-N 3.28Å
484	K	78.7	Confident	88.7	Confident	215 Å²	215	54.2 Å²	54.2	94%	0.935	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	115.1	-179.4	-171.7	178.1	-179.2	179.6	0	110.7
485	G	78.1	Confident	88.6	Confident	67 Å²	67	54.2 Å²	54.2	69%	0.691	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	2.5	-179.2	0	0	0	0	0	115.8	R483	R483-G485 PolarHBondContact O-N 3.1Å
486	W	81.9	Confident	88.5	Confident	110 Å²	110	56.3 Å²	56.3	42%	0.417	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-136.8	124.8	-178.6	-69.8	80.3	0	0	0	110.6	E385 R483 L489 Y552	E385-W486 HydrophobicContact CG-CH2 4.39Å; E385-W486 HydrophobicContact CG-CZ3 4.13Å; E385-W486 WeakPolarHBondContact OE1-CH2 3.32Å; R483-W486 PolarHBondContact N-O 3.08Å; R483-W486 CarbonylContact O-C 3.53Å; R483-W486 PolarHBondContact O-N 3.28Å; W486-L489 HydrophobicContact CE3-CD1 3.34Å; W486-L489 HydrophobicContact CE3-CG 4.39Å; W486-L489 HydrophobicContact CZ3-CD1 3.52Å; W486-Y552 HydrophobicContact CD2-CE2 4.3Å; W486-Y552 AromaticContact CD2-CZ 3.98Å; W486-Y552 AromaticContact CE3-CE1 3.88Å; W486-Y552 HydrophobicContact CE3-CE1 3.88Å; W486-Y552 HydrophobicContact CE3-CE2 4.02Å; W486-Y552 AromaticContact CE3-CZ 3.53Å; W486-Y552 AromaticContact CH2-CE1 3.99Å; W486-Y552 HydrophobicContact CH2-CE1 3.99Å; W486-Y552 AromaticContact CH2-CZ 3.84Å; W486-Y552 WeakPolarHBondContact CH2-OH 3.3Å; W486-Y552 VanDerWaalsContact CZ2-OH 3.22Å; W486-Y552 WeakPolarHBondContact CZ2-OH 3.49Å; W486-Y552 HydrophobicContact CZ3-CD1 4.36Å; W486-Y552 AromaticContact CZ3-CE1 3.46Å; W486-Y552 HydrophobicContact CZ3-CE1 3.46Å; W486-Y552 VanDerWaalsContact CZ3-CE1 3.46Å; W486-Y552 HydrophobicContact CZ3-CE2 4.39Å; W486-Y552 AromaticContact CZ3-CZ 3.46Å; W486-Y552 VanDerWaalsContact CZ3-CZ 3.46Å; W486-Y552 VanDerWaalsContact CZ3-OH 3.23Å; W486-Y552 WeakPolarHBondContact CZ3-OH 3.4Å
487	P	92.8	Very high	88.4	Confident	55 Å²	55	58.5 Å²	58.5	36%	0.357	29%	0.294	S	S	.	.			trans	-66	178.1	171.5	29.4	-32.2	0	0	0	110.8	L489 Y552	P487-L489 HydrophobicContact CG-CD2 3.83Å; P487-L489 HydrophobicContact CG-CG 4.44Å; P487-L489 PolarHBondContact O-N 3.05Å; P487-L489 VanDerWaalsContact O-N 3.13Å; P487-Y552 VanDerWaalsContact CD-CD2 3.45Å; P487-Y552 HydrophobicContact CG-CD2 3.92Å; P487-Y552 HydrophobicContact CG-CG 4.23Å
488	S	92.3	Very high	88.6	Confident	7 Å²	7	58.5 Å²	58.5	5%	0.049	29%	0.294	C	S	.	.			trans	-63.7	113.5	167.4	177	0	0	0	0	108.3	P388 L389 T480	P388-S488 CarbonylContact C-O 3.21Å; P388-S488 WeakPolarHBondContact CA-O 3.33Å; L389-S488 PolarHBondContact N-O 2.87Å; T480-S488 VanDerWaalsContact O-CB 3.25Å; T480-S488 WeakPolarHBondContact O-CB 3.11Å; T480-S488 PolarHBondContact O-OG 3.42Å
489	L	91.8	Very high	88.9	Confident	10 Å²	10	56.4 Å²	56.4	5%	0.052	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-113.4	129.3	177.5	-61.2	-174.2	0	0	0	109.8	I384 P388 W486 P487 Y552	I384-L489 HydrophobicContact CD1-CB 4.3Å; I384-L489 HydrophobicContact CG1-CB 3.73Å; P388-L489 HydrophobicContact CB-CD2 4.19Å; P388-L489 HydrophobicContact CG-CD2 4.04Å; W486-L489 HydrophobicContact CE3-CD1 3.34Å; W486-L489 HydrophobicContact CE3-CG 4.39Å; W486-L489 HydrophobicContact CZ3-CD1 3.52Å; P487-L489 HydrophobicContact CG-CD2 3.83Å; P487-L489 HydrophobicContact CG-CG 4.44Å; P487-L489 PolarHBondContact O-N 3.05Å; P487-L489 VanDerWaalsContact O-N 3.13Å; L489-Y552 HydrophobicContact CD1-CD1 4.32Å; L489-Y552 HydrophobicContact CD2-CG 4.26Å
490	L	92.1	Very high	89.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.			trans	-94.5	135.9	-176.9	-56.6	-170.3	0	0	0	111.4	F387 L389 V392 F479 E494 V495 Y498	F387-L490 HydrophobicContact CB-CB 4.23Å; F387-L490 WeakPolarHBondContact CB-O 3.5Å; F387-L490 PolarHBondContact O-N 3.25Å; L389-L490 HydrophobicContact CD1-CD1 3.87Å; L389-L490 HydrophobicContact CD1-CD2 4.31Å; L389-L490 HydrophobicContact CD1-CG 4.37Å; V392-L490 HydrophobicContact CB-CD1 4.16Å; V392-L490 HydrophobicContact CG1-CD1 4.02Å; V392-L490 HydrophobicContact CG2-CD1 4.19Å; F479-L490 HydrophobicContact CB-CD2 3.55Å; F479-L490 HydrophobicContact CD1-CD2 4.19Å; F479-L490 HydrophobicContact CD2-CD1 4.41Å; F479-L490 HydrophobicContact CD2-CD2 4.13Å; F479-L490 HydrophobicContact CG-CD2 3.71Å; L490-E494 HydrophobicContact CB-CB 4.1Å; L490-E494 HydrophobicContact CD2-CB 4.34Å; L490-V495 HydrophobicContact CB-CG2 3.83Å; L490-V495 HydrophobicContact CD1-CG2 4.18Å; L490-Y498 HydrophobicContact CD1-CD1 4.3Å
491	Q	90.6	Very high	90.3	Very high	83 Å²	83	56 Å²	56	39%	0.388	28%	0.278	S	S	.	.			trans	-68.5	154.1	161.5	-64.8	178.8	55.8	0	0	109.7	I384 H493 E494 V495	I384-Q491 HydrophobicContact CD1-CG 3.81Å; I384-Q491 HydrophobicContact CG1-CG 4.49Å; Q491-H493 WeakPolarHBondContact CB-ND1 3.37Å; Q491-H493 VanDerWaalsContact CD-CE1 3.44Å; Q491-H493 PolarHBondContact O-N 2.84Å; Q491-H493 VanDerWaalsContact O-N 3.16Å; Q491-H493 PolarHBondContact OE1-CE1 3.05Å; Q491-H493 PolarHBondContact OE1-ND1 3.46Å; Q491-E494 HydrophobicContact CB-CG 4.44Å; Q491-E494 WeakPolarHBondContact CB-OE2 3.31Å; Q491-E494 PolarHBondContact N-OE2 2.64Å; Q491-E494 WeakPolarHBondContact O-CA 3.36Å; Q491-E494 WeakPolarHBondContact O-CB 3.44Å; Q491-E494 PolarHBondContact O-N 3.22Å; Q491-V495 PolarHBondContact O-N 2.93Å; Q491-V495 VanDerWaalsContact O-N 3.09Å
492	H	92.4	Very high	91.1	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-55.5	-36.9	-179.7	175.2	-102.3	0	0	0	113.4	L383 E494 V495 E496 V539 W540 L566	L383-H492 HydrophobicContact CD2-CB 4.19Å; H492-E494 VanDerWaalsContact C-N 3.33Å; H492-E494 PolarHBondContact O-N 2.86Å; H492-V495 WeakPolarHBondContact O-CB 3.37Å; H492-V495 PolarHBondContact O-N 3.35Å; H492-V495 VanDerWaalsContact O-N 3.14Å; H492-E496 PolarHBondContact O-N 3.46Å; H492-V539 PolarHBondContact NE2-O 2.74Å; H492-W540 AromaticContact CE1-CD2 3.95Å; H492-W540 AromaticContact CE1-CE2 3.7Å; H492-W540 AromaticContact CE1-CE3 3.91Å; H492-W540 AromaticContact CE1-CH2 3.48Å; H492-W540 VanDerWaalsContact CE1-CH2 3.48Å; H492-W540 WeakPolarHBondContact CE1-CH2 3.47Å; H492-W540 AromaticContact CE1-CZ2 3.49Å; H492-W540 VanDerWaalsContact CE1-CZ2 3.49Å; H492-W540 WeakPolarHBondContact CE1-CZ2 3.38Å; H492-W540 AromaticContact CE1-CZ3 3.68Å; H492-W540 AromaticContact ND1-CH2 3.93Å; H492-L566 HydrophobicContact CB-CD1 4.31Å
493	H	88.9	Confident	91.8	Very high	97 Å²	97	48 Å²	48	45%	0.449	24%	0.235	S	C	.	.	H	α-helix	trans	-67.3	-30.4	174.8	77.4	-86.2	0	0	0	113.3	Q491 V495 E496 T497	Q491-H493 WeakPolarHBondContact CB-ND1 3.37Å; Q491-H493 VanDerWaalsContact CD-CE1 3.44Å; Q491-H493 PolarHBondContact O-N 2.84Å; Q491-H493 VanDerWaalsContact O-N 3.16Å; Q491-H493 PolarHBondContact OE1-CE1 3.05Å; Q491-H493 PolarHBondContact OE1-ND1 3.46Å; H493-V495 VanDerWaalsContact C-N 3.33Å; H493-E496 PolarHBondContact O-N 3.38Å; H493-T497 PolarHBondContact O-N 3.46Å; H493-T497 PolarHBondContact O-OG1 2.97Å
494	E	91.6	Very high	92.7	Very high	17 Å²	17	39.6 Å²	39.6	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-69.5	-34.5	172.3	-70.1	171.5	111.7	0	0	110.4	F479 T480 L490 Q491 H492 T497 Y498	F479-E494 HydrophobicContact CD1-CB 3.77Å; F479-E494 HydrophobicContact CD1-CG 3.96Å; F479-E494 HydrophobicContact CE1-CB 3.81Å; F479-E494 HydrophobicContact CE1-CG 4.3Å; F479-E494 WeakPolarHBondContact CE1-O 3.47Å; F479-E494 WeakPolarHBondContact CZ-O 3.33Å; T480-E494 PolarHBondContact N-OE1 2.72Å; T480-E494 PolarHBondContact OG1-OE1 3.15Å; L490-E494 HydrophobicContact CB-CB 4.1Å; L490-E494 HydrophobicContact CD2-CB 4.34Å; Q491-E494 HydrophobicContact CB-CG 4.44Å; Q491-E494 WeakPolarHBondContact CB-OE2 3.31Å; Q491-E494 PolarHBondContact N-OE2 2.64Å; Q491-E494 WeakPolarHBondContact O-CA 3.36Å; Q491-E494 WeakPolarHBondContact O-CB 3.44Å; Q491-E494 PolarHBondContact O-N 3.22Å; H492-E494 VanDerWaalsContact C-N 3.33Å; H492-E494 PolarHBondContact O-N 2.86Å; E494-T497 PolarHBondContact O-N 3.42Å; E494-Y498 WeakPolarHBondContact O-CB 3.39Å; E494-Y498 PolarHBondContact O-N 2.8Å
495	V	96.4	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-43.7	172.2	-175.8	0	0	0	0	110.8	F387 V392 L490 Q491 H492 H493 Y498 F499 V539 M548	F387-V495 HydrophobicContact CB-CG2 4.24Å; F387-V495 HydrophobicContact CD1-CG2 4.06Å; F387-V495 HydrophobicContact CG-CG2 4.06Å; V392-V495 HydrophobicContact CG1-CG1 3.95Å; V392-V495 HydrophobicContact CG1-CG2 4.28Å; V392-V495 HydrophobicContact CG2-CG2 4.11Å; L490-V495 HydrophobicContact CB-CG2 3.83Å; L490-V495 HydrophobicContact CD1-CG2 4.18Å; Q491-V495 PolarHBondContact O-N 2.93Å; Q491-V495 VanDerWaalsContact O-N 3.09Å; H492-V495 WeakPolarHBondContact O-CB 3.37Å; H492-V495 PolarHBondContact O-N 3.35Å; H492-V495 VanDerWaalsContact O-N 3.14Å; H493-V495 VanDerWaalsContact C-N 3.33Å; V495-Y498 WeakPolarHBondContact O-CB 3.34Å; V495-Y498 PolarHBondContact O-N 2.97Å; V495-Y498 VanDerWaalsContact O-N 3.16Å; V495-F499 HydrophobicContact CG1-CD2 4.27Å; V495-F499 HydrophobicContact CG1-CE2 4.35Å; V495-F499 WeakPolarHBondContact O-CD2 3.27Å; V495-F499 PolarHBondContact O-N 2.7Å; V495-V539 HydrophobicContact CG1-CG1 3.92Å; V495-M548 HydrophobicContact CG1-SD 3.57Å; V495-M548 VanDerWaalsContact CG1-SD 3.57Å
496	E	96.7	Very high	94.6	Very high	45 Å²	45	26.2 Å²	26.2	21%	0.21	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-49.4	173.2	-171.3	168	-138.9	0	0	111.4	H492 H493 Y498 F499 H500 E536 V539 W540	H492-E496 PolarHBondContact O-N 3.46Å; H493-E496 PolarHBondContact O-N 3.38Å; E496-Y498 VanDerWaalsContact C-N 3.27Å; E496-Y498 PolarHBondContact O-N 2.93Å; E496-F499 PolarHBondContact O-N 2.99Å; E496-F499 VanDerWaalsContact O-N 3.15Å; E496-H500 PolarHBondContact O-N 2.9Å; E496-E536 HydrophobicContact CG-CB 4.18Å; E496-E536 HydrophobicContact CG-CG 4Å; E496-V539 HydrophobicContact CB-CG2 3.75Å; E496-V539 HydrophobicContact CG-CG2 3.84Å; E496-W540 PolarHBondContact OE1-NE1 2.98Å
497	T	95.1	Very high	95.4	Very high	45 Å²	45	21 Å²	21	28%	0.276	11%	0.107	S	C	.	.	H	α-helix	trans	-58.4	-38.4	174	-59.5	0	0	0	0	112	A452 H493 E494 H500 E501	A452-T497 HydrophobicContact CB-CG2 3.31Å; H493-T497 PolarHBondContact O-N 3.46Å; H493-T497 PolarHBondContact O-OG1 2.97Å; E494-T497 PolarHBondContact O-N 3.42Å; T497-H500 WeakPolarHBondContact O-CB 3.42Å; T497-H500 PolarHBondContact O-N 3.42Å; T497-E501 HydrophobicContact CG2-CG 4.34Å; T497-E501 WeakPolarHBondContact O-CG 3.41Å; T497-E501 PolarHBondContact O-N 3.39Å
498	Y	97.9	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-45.9	176.5	-156.4	166.1	0	0	0	111.1	L389 V392 T393 L396 L440 L442 M475 F479 L490 E494 V495 E496 H500 F502	L389-Y498 HydrophobicContact CD1-CD1 4.35Å; L389-Y498 HydrophobicContact CD1-CE1 3.83Å; V392-Y498 HydrophobicContact CG1-CD1 3.94Å; V392-Y498 HydrophobicContact CG1-CE1 4.44Å; T393-Y498 WeakPolarHBondContact OG1-CE1 3.42Å; T393-Y498 PolarHBondContact OG1-OH 3.43Å; L396-Y498 HydrophobicContact CD1-CD1 4.15Å; L396-Y498 HydrophobicContact CD1-CD2 3.48Å; L396-Y498 VanDerWaalsContact CD1-CD2 3.48Å; L396-Y498 HydrophobicContact CD1-CE1 4.48Å; L396-Y498 HydrophobicContact CD1-CE2 3.88Å; L396-Y498 HydrophobicContact CD1-CG 3.63Å; L440-Y498 VanDerWaalsContact CD1-OH 3.31Å; L440-Y498 WeakPolarHBondContact CD1-OH 3.35Å; L442-Y498 HydrophobicContact CD1-CE1 4.13Å; L442-Y498 WeakPolarHBondContact CD1-OH 3.47Å; L442-Y498 HydrophobicContact CD2-CE2 4.43Å; M475-Y498 HydrophobicContact CE-CD2 3.17Å; M475-Y498 HydrophobicContact CE-CE2 3.63Å; M475-Y498 HydrophobicContact CE-CG 3.99Å; M475-Y498 HydrophobicContact SD-CD2 3.57Å; M475-Y498 VanDerWaalsContact SD-CD2 3.57Å; M475-Y498 HydrophobicContact SD-CE2 3.48Å; M475-Y498 WeakPolarHBondContact SD-CE2 3.35Å; F479-Y498 HydrophobicContact CD2-CD1 4.5Å; F479-Y498 AromaticContact CE2-CD1 3.63Å; F479-Y498 HydrophobicContact CE2-CD1 3.63Å; F479-Y498 HydrophobicContact CE2-CD2 4.37Å; F479-Y498 HydrophobicContact CE2-CE1 4.17Å; F479-Y498 AromaticContact CE2-CG 3.75Å; F479-Y498 HydrophobicContact CE2-CG 3.75Å; F479-Y498 HydrophobicContact CZ-CD1 4.21Å; F479-Y498 AromaticContact CZ-CG 3.97Å; F479-Y498 HydrophobicContact CZ-CG 3.97Å; L490-Y498 HydrophobicContact CD1-CD1 4.3Å; E494-Y498 WeakPolarHBondContact O-CB 3.39Å; E494-Y498 PolarHBondContact O-N 2.8Å; V495-Y498 WeakPolarHBondContact O-CB 3.34Å; V495-Y498 PolarHBondContact O-N 2.97Å; V495-Y498 VanDerWaalsContact O-N 3.16Å; E496-Y498 VanDerWaalsContact C-N 3.27Å; E496-Y498 PolarHBondContact O-N 2.93Å; Y498-H500 PolarHBondContact O-N 2.73Å; Y498-F502 VanDerWaalsContact O-CB 3.3Å; Y498-F502 WeakPolarHBondContact O-CB 3.5Å; Y498-F502 PolarHBondContact O-N 3.14Å
499	F	97.8	Very high	95.9	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-62.5	-42.1	176.1	-92	-102.9	0	0	0	112.6	L396 I399 Y400 V495 E496 G503 W538 V539 M548	L396-F499 HydrophobicContact CB-CE2 3.93Å; L396-F499 HydrophobicContact CB-CZ 4.06Å; L396-F499 HydrophobicContact CD1-CD2 3.77Å; L396-F499 HydrophobicContact CD1-CE2 3.85Å; L396-F499 HydrophobicContact CD1-CG 4.32Å; L396-F499 HydrophobicContact CD1-CZ 4.45Å; L396-F499 HydrophobicContact CG-CD2 4.31Å; L396-F499 HydrophobicContact CG-CE2 3.98Å; L396-F499 HydrophobicContact CG-CZ 4.11Å; I399-F499 HydrophobicContact CD1-CE1 4.21Å; I399-F499 HydrophobicContact CD1-CZ 3.77Å; I399-F499 HydrophobicContact CG2-CE1 4.28Å; Y400-F499 AromaticContact CE2-CD1 4Å; Y400-F499 HydrophobicContact CE2-CD1 4Å; Y400-F499 HydrophobicContact CE2-CE1 4.1Å; Y400-F499 PolarHBondContact OH-O 3.46Å; V495-F499 HydrophobicContact CG1-CD2 4.27Å; V495-F499 HydrophobicContact CG1-CE2 4.35Å; V495-F499 WeakPolarHBondContact O-CD2 3.27Å; V495-F499 PolarHBondContact O-N 2.7Å; E496-F499 PolarHBondContact O-N 2.99Å; E496-F499 VanDerWaalsContact O-N 3.15Å; F499-G503 PolarHBondContact O-N 2.82Å; F499-W538 HydrophobicContact CD1-CB 4.06Å; F499-W538 HydrophobicContact CE1-CB 3.78Å; F499-V539 HydrophobicContact CB-CG1 3.92Å; F499-V539 HydrophobicContact CD1-CG1 4.2Å; F499-V539 HydrophobicContact CD2-CG1 3.31Å; F499-V539 HydrophobicContact CE2-CG1 3.83Å; F499-V539 HydrophobicContact CG-CG1 3.52Å; F499-V539 HydrophobicContact CZ-CG1 4.46Å; F499-M548 HydrophobicContact CE1-CE 4.26Å; F499-M548 HydrophobicContact CE2-CE 3.56Å; F499-M548 HydrophobicContact CE2-SD 3.72Å; F499-M548 HydrophobicContact CZ-CE 3.36Å; F499-M548 HydrophobicContact CZ-SD 4.16Å
500	H	97.9	Very high	96.2	Very high	26 Å²	26	18.1 Å²	18.1	12%	0.12	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-58.7	176.9	179.6	102.6	0	0	0	111.4	E496 T497 Y498 F502 G503 H504 E529 S532 E536	E496-H500 PolarHBondContact O-N 2.9Å; T497-H500 WeakPolarHBondContact O-CB 3.42Å; T497-H500 PolarHBondContact O-N 3.42Å; Y498-H500 PolarHBondContact O-N 2.73Å; H500-F502 VanDerWaalsContact C-N 3.32Å; H500-F502 PolarHBondContact O-N 3.13Å; H500-G503 WeakPolarHBondContact O-CA 3.38Å; H500-G503 PolarHBondContact O-N 2.82Å; H500-H504 AromaticContact CD2-CD2 3.87Å; H500-H504 AromaticContact CD2-NE2 3.84Å; H500-H504 AromaticContact NE2-CD2 3.74Å; H500-H504 AromaticContact NE2-NE2 3.24Å; H500-H504 PolarHBondContact NE2-NE2 3.23Å; H500-H504 PolarHBondContact O-N 3.01Å; H500-E529 IonicContact CE1-OE2 3.64Å; H500-E529 PolarHBondContact CE1-OE2 3.24Å; H500-E529 IonicContact NE2-OE2 2.69Å; H500-E529 PolarHBondContact NE2-OE2 3.16Å; H500-E529 VanDerWaalsContact NE2-OE2 3.09Å; H500-S532 PolarHBondContact CE1-OG 3.19Å; H500-S532 VanDerWaalsContact O-CB 3.26Å; H500-S532 WeakPolarHBondContact O-CB 3.49Å; H500-E536 HydrophobicContact CB-CG 4.06Å; H500-E536 IonicContact CE1-OE1 2.66Å; H500-E536 IonicContact CG-OE1 3.81Å; H500-E536 IonicContact ND1-OE1 2.82Å; H500-E536 PolarHBondContact ND1-OE1 3.12Å
501	E	98.2	Very high	96.4	Very high	18 Å²	18	18.1 Å²	18.1	8%	0.084	9%	0.088	C	C	.	.	H	α-helix	trans	-67.1	-34.7	-175.8	-62.3	-54.5	155	0	0	112.4	A452 A453 C454 M475 T497 G503 H504 V505	A452-E501 HydrophobicContact CB-CG 3.84Å; A453-E501 WeakPolarHBondContact CA-OE2 3.49Å; C454-E501 PolarHBondContact N-OE2 3.42Å; M475-E501 HydrophobicContact CE-CB 3.61Å; M475-E501 HydrophobicContact CE-CG 4.16Å; M475-E501 HydrophobicContact CG-CB 3.91Å; M475-E501 HydrophobicContact SD-CB 3.99Å; T497-E501 HydrophobicContact CG2-CG 4.34Å; T497-E501 WeakPolarHBondContact O-CG 3.41Å; T497-E501 PolarHBondContact O-N 3.39Å; E501-G503 PolarHBondContact O-N 3.15Å; E501-H504 WeakPolarHBondContact O-CB 3.17Å; E501-H504 PolarHBondContact O-N 3.35Å; E501-H504 VanDerWaalsContact O-N 3.12Å; E501-H504 IonicContact OE2-CD2 3.43Å; E501-V505 PolarHBondContact O-N 2.84Å
502	F	98.4	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.2	-24.6	175.6	-155.5	-99.9	0	0	0	112.1	L396 F397 Y400 F408 F438 L440 M475 Y498 H500 V505 M506	L396-F502 HydrophobicContact CD1-CB 4.3Å; L396-F502 HydrophobicContact CD2-CB 4.12Å; L396-F502 HydrophobicContact CD2-CD1 3.52Å; L396-F502 HydrophobicContact CD2-CD2 4Å; L396-F502 HydrophobicContact CD2-CE1 3.8Å; L396-F502 HydrophobicContact CD2-CE2 4.28Å; L396-F502 HydrophobicContact CD2-CG 3.6Å; L396-F502 HydrophobicContact CD2-CZ 4.18Å; F397-F502 HydrophobicContact CD1-CE1 4.4Å; F397-F502 HydrophobicContact CD1-CE2 4.29Å; F397-F502 AromaticContact CD1-CZ 3.87Å; F397-F502 HydrophobicContact CD1-CZ 3.87Å; F397-F502 AromaticContact CE1-CE2 3.66Å; F397-F502 HydrophobicContact CE1-CE2 3.66Å; F397-F502 AromaticContact CE1-CZ 3.63Å; F397-F502 HydrophobicContact CE1-CZ 3.63Å; Y400-F502 HydrophobicContact CD1-CD1 4.02Å; Y400-F502 HydrophobicContact CD1-CE1 4.28Å; Y400-F502 AromaticContact CD2-CD1 3.51Å; Y400-F502 HydrophobicContact CD2-CD1 3.51Å; Y400-F502 AromaticContact CD2-CE1 3.91Å; Y400-F502 HydrophobicContact CD2-CE1 3.91Å; Y400-F502 HydrophobicContact CE1-CD1 4.01Å; Y400-F502 HydrophobicContact CE2-CB 4.21Å; Y400-F502 AromaticContact CE2-CD1 3.54Å; Y400-F502 HydrophobicContact CE2-CD1 3.54Å; Y400-F502 HydrophobicContact CE2-CE1 4.39Å; Y400-F502 HydrophobicContact CE2-CG 4.3Å; Y400-F502 AromaticContact CG-CD1 3.75Å; Y400-F502 HydrophobicContact CG-CD1 3.75Å; Y400-F502 AromaticContact CG-CE1 3.83Å; Y400-F502 HydrophobicContact CG-CE1 3.83Å; Y400-F502 AromaticContact CZ-CD1 3.77Å; F408-F502 HydrophobicContact CD2-CZ 4.47Å; F408-F502 AromaticContact CE2-CE1 3.88Å; F408-F502 HydrophobicContact CE2-CE1 3.88Å; F408-F502 AromaticContact CE2-CZ 3.92Å; F408-F502 HydrophobicContact CE2-CZ 3.92Å; F408-F502 HydrophobicContact CZ-CE1 4.08Å; F408-F502 HydrophobicContact CZ-CZ 4.2Å; F438-F502 AromaticContact CD2-CE2 3.93Å; F438-F502 HydrophobicContact CD2-CE2 3.93Å; F438-F502 HydrophobicContact CE1-CE2 4.46Å; F438-F502 HydrophobicContact CE1-CZ 4.16Å; F438-F502 AromaticContact CE2-CE2 3.53Å; F438-F502 HydrophobicContact CE2-CE2 3.53Å; F438-F502 AromaticContact CE2-CZ 3.94Å; F438-F502 HydrophobicContact CE2-CZ 3.94Å; F438-F502 AromaticContact CZ-CE2 3.81Å; F438-F502 HydrophobicContact CZ-CE2 3.81Å; F438-F502 AromaticContact CZ-CZ 3.7Å; F438-F502 HydrophobicContact CZ-CZ 3.7Å; L440-F502 HydrophobicContact CD2-CD2 4.49Å; L440-F502 HydrophobicContact CD2-CE2 4.39Å; M475-F502 HydrophobicContact SD-CD2 4.32Å; Y498-F502 VanDerWaalsContact O-CB 3.3Å; Y498-F502 WeakPolarHBondContact O-CB 3.5Å; Y498-F502 PolarHBondContact O-N 3.14Å; H500-F502 VanDerWaalsContact C-N 3.32Å; H500-F502 PolarHBondContact O-N 3.13Å; F502-V505 HydrophobicContact CD2-CB 4.31Å; F502-V505 HydrophobicContact CD2-CG2 4.36Å; F502-V505 HydrophobicContact CE2-CG1 4.38Å; F502-V505 PolarHBondContact O-N 3.44Å; F502-M506 HydrophobicContact CD1-CE 4.22Å; F502-M506 HydrophobicContact CD1-CG 3.98Å; F502-M506 HydrophobicContact CD1-SD 4.47Å; F502-M506 HydrophobicContact CE1-CE 3.54Å; F502-M506 HydrophobicContact CE1-CG 3.98Å; F502-M506 HydrophobicContact CE1-SD 3.86Å; F502-M506 HydrophobicContact CE2-CE 4.33Å; F502-M506 HydrophobicContact CZ-CE 3.6Å; F502-M506 HydrophobicContact CZ-SD 4.46Å; F502-M506 WeakPolarHBondContact O-CG 3.37Å; F502-M506 PolarHBondContact O-N 2.71Å
503	G	98.1	Very high	96.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.5	-43.4	168.6	0	0	0	0	0	112.2	Y400 F499 H500 E501 M506 H507 L535	Y400-G503 WeakPolarHBondContact OH-CA 3.23Å; Y400-G503 PolarHBondContact OH-N 3.17Å; Y400-G503 VanDerWaalsContact OH-N 3.17Å; F499-G503 PolarHBondContact O-N 2.82Å; H500-G503 WeakPolarHBondContact O-CA 3.38Å; H500-G503 PolarHBondContact O-N 2.82Å; E501-G503 PolarHBondContact O-N 3.15Å; G503-M506 PolarHBondContact O-N 3.02Å; G503-H507 PolarHBondContact O-N 3.43Å; G503-L535 VanDerWaalsContact CA-CD1 3.47Å
504	H	98.4	Very high	97.1	Very high	14 Å²	14	15.1 Å²	15.1	7%	0.065	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-42.4	172.3	-68.5	-48.6	0	0	0	112	C454 H500 E501 M506 H507 E508 T521 V528 E529 S532	C454-H504 HydrophobicContact CB-CB 3.45Å; C454-H504 VanDerWaalsContact CB-CB 3.45Å; H500-H504 AromaticContact CD2-CD2 3.87Å; H500-H504 AromaticContact CD2-NE2 3.84Å; H500-H504 AromaticContact NE2-CD2 3.74Å; H500-H504 AromaticContact NE2-NE2 3.24Å; H500-H504 PolarHBondContact NE2-NE2 3.23Å; H500-H504 PolarHBondContact O-N 3.01Å; E501-H504 WeakPolarHBondContact O-CB 3.17Å; E501-H504 PolarHBondContact O-N 3.35Å; E501-H504 VanDerWaalsContact O-N 3.12Å; E501-H504 IonicContact OE2-CD2 3.43Å; H504-M506 VanDerWaalsContact C-N 3.3Å; H504-M506 PolarHBondContact O-N 3.39Å; H504-H507 WeakPolarHBondContact O-CB 3.3Å; H504-H507 PolarHBondContact O-N 3.41Å; H504-H507 VanDerWaalsContact O-N 3.12Å; H504-E508 WeakPolarHBondContact O-CG 3.48Å; H504-E508 PolarHBondContact O-N 2.68Å; H504-T521 HydrophobicContact CB-CG2 4.41Å; H504-V528 PolarHBondContact CE1-O 3.23Å; H504-V528 VanDerWaalsContact CE1-O 3.27Å; H504-E529 IonicContact CE1-OE2 2.74Å; H504-E529 PolarHBondContact CE1-OE2 3.01Å; H504-E529 IonicContact NE2-OE1 3.61Å; H504-E529 IonicContact NE2-OE2 3.88Å; H504-E529 PolarHBondContact NE2-OE2 3.35Å; H504-S532 VanDerWaalsContact CE1-CB 3.46Å; H504-S532 WeakPolarHBondContact CE1-CB 3.42Å; H504-S532 PolarHBondContact CE1-OG 3.48Å; H504-S532 VanDerWaalsContact CE1-OG 3.26Å; H504-S532 WeakPolarHBondContact NE2-CB 3.39Å; H504-S532 PolarHBondContact NE2-OG 3.16Å
505	V	98.7	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.8	-45.6	174.4	178.8	0	0	0	0	110.8	F438 C454 A473 M475 E501 F502 H507 E508 L509	F438-V505 HydrophobicContact CB-CG1 3.51Å; F438-V505 HydrophobicContact CD1-CG1 4.26Å; F438-V505 HydrophobicContact CD2-CG1 4.39Å; F438-V505 HydrophobicContact CG-CG1 3.82Å; C454-V505 HydrophobicContact CB-CG2 4.37Å; A473-V505 HydrophobicContact CB-CG1 4.34Å; M475-V505 HydrophobicContact CB-CG2 3.85Å; E501-V505 PolarHBondContact O-N 2.84Å; F502-V505 HydrophobicContact CD2-CB 4.31Å; F502-V505 HydrophobicContact CD2-CG2 4.36Å; F502-V505 HydrophobicContact CE2-CG1 4.38Å; F502-V505 PolarHBondContact O-N 3.44Å; V505-H507 VanDerWaalsContact C-N 3.33Å; V505-H507 PolarHBondContact O-N 3.42Å; V505-E508 WeakPolarHBondContact O-CB 3.24Å; V505-E508 PolarHBondContact O-N 2.91Å; V505-L509 HydrophobicContact CG1-CD1 4.46Å; V505-L509 HydrophobicContact CG1-CG 4.34Å; V505-L509 WeakPolarHBondContact O-CG 3.42Å; V505-L509 PolarHBondContact O-N 3.03Å
506	M	98.6	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-34.6	178.3	-66.6	-59.4	94.9	0	0	112.6	Y400 L404 L406 F408 F438 F502 G503 H504 L509 C510 L673	Y400-M506 HydrophobicContact CD1-CG 3.53Å; Y400-M506 HydrophobicContact CD1-SD 4.36Å; Y400-M506 HydrophobicContact CE1-CB 4.4Å; Y400-M506 HydrophobicContact CE1-CG 3.67Å; Y400-M506 HydrophobicContact CG-CG 4.4Å; L404-M506 HydrophobicContact CD1-CB 3.82Å; L404-M506 HydrophobicContact CD1-CG 3.71Å; L404-M506 HydrophobicContact CD1-SD 3.95Å; L406-M506 HydrophobicContact CD1-SD 3.95Å; F408-M506 HydrophobicContact CE1-CE 4.32Å; F408-M506 HydrophobicContact CE1-SD 4.17Å; F408-M506 HydrophobicContact CZ-CE 4.11Å; F408-M506 HydrophobicContact CZ-SD 3.71Å; F438-M506 HydrophobicContact CD1-CE 4.5Å; F502-M506 HydrophobicContact CD1-CE 4.22Å; F502-M506 HydrophobicContact CD1-CG 3.98Å; F502-M506 HydrophobicContact CD1-SD 4.47Å; F502-M506 HydrophobicContact CE1-CE 3.54Å; F502-M506 HydrophobicContact CE1-CG 3.98Å; F502-M506 HydrophobicContact CE1-SD 3.86Å; F502-M506 HydrophobicContact CE2-CE 4.33Å; F502-M506 HydrophobicContact CZ-CE 3.6Å; F502-M506 HydrophobicContact CZ-SD 4.46Å; F502-M506 WeakPolarHBondContact O-CG 3.37Å; F502-M506 PolarHBondContact O-N 2.71Å; G503-M506 PolarHBondContact O-N 3.02Å; H504-M506 VanDerWaalsContact C-N 3.3Å; H504-M506 PolarHBondContact O-N 3.39Å; M506-L509 HydrophobicContact CE-CD1 4.44Å; M506-L509 PolarHBondContact O-N 3.46Å; M506-C510 WeakPolarHBondContact O-CB 3.49Å; M506-C510 PolarHBondContact O-N 3.38Å; M506-C510 PolarHBondContact O-SG 3.46Å; M506-L673 HydrophobicContact CB-CD1 4.34Å
507	H	98.4	Very high	97.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.1	-46	173	-164.2	-175.7	0	0	0	111.4	G503 H504 V505 S511 G520 T521 L673	G503-H507 PolarHBondContact O-N 3.43Å; H504-H507 WeakPolarHBondContact O-CB 3.3Å; H504-H507 PolarHBondContact O-N 3.41Å; H504-H507 VanDerWaalsContact O-N 3.12Å; V505-H507 VanDerWaalsContact C-N 3.33Å; V505-H507 PolarHBondContact O-N 3.42Å; H507-S511 WeakPolarHBondContact O-CB 3.33Å; H507-S511 PolarHBondContact O-N 3.34Å; H507-G520 PolarHBondContact NE2-O 2.65Å; H507-T521 HydrophobicContact CB-CG2 4.14Å; H507-L673 HydrophobicContact CB-CD2 3.99Å
508	E	97.9	Very high	97.2	Very high	12 Å²	12	13.4 Å²	13.4	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-56.1	-52.3	173.7	-72.2	-60.7	146.9	0	0	112.4	A473 H504 V505 T521	A473-E508 HydrophobicContact CB-CB 4.04Å; A473-E508 HydrophobicContact CB-CG 4.28Å; H504-E508 WeakPolarHBondContact O-CG 3.48Å; H504-E508 PolarHBondContact O-N 2.68Å; V505-E508 WeakPolarHBondContact O-CB 3.24Å; V505-E508 PolarHBondContact O-N 2.91Å; E508-T521 HydrophobicContact CG-CG2 4.25Å; E508-T521 VanDerWaalsContact OE1-CB 3.25Å; E508-T521 WeakPolarHBondContact OE1-CB 3.3Å; E508-T521 VanDerWaalsContact OE1-CG2 3.27Å; E508-T521 WeakPolarHBondContact OE1-CG2 3.46Å; E508-T521 PolarHBondContact OE1-N 2.94Å; E508-T521 PolarHBondContact OE1-OG1 3.29Å
509	L	98.2	Very high	97.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-76.9	-35.9	-171	-58.5	-156.4	0	0	0	113.4	A426 Q437 F438 R468 P471 A473 V505 M506	A426-L509 HydrophobicContact CB-CD1 4.1Å; Q437-L509 WeakPolarHBondContact O-CD2 3.33Å; F438-L509 HydrophobicContact CB-CD1 4.21Å; F438-L509 HydrophobicContact CD1-CD1 3.8Å; F438-L509 HydrophobicContact CG-CD1 4.47Å; R468-L509 PolarHBondContact NH2-O 2.98Å; P471-L509 HydrophobicContact CB-CD2 4.06Å; P471-L509 HydrophobicContact CG-CD2 4.21Å; A473-L509 HydrophobicContact CB-CD2 4.06Å; V505-L509 HydrophobicContact CG1-CD1 4.46Å; V505-L509 HydrophobicContact CG1-CG 4.34Å; V505-L509 WeakPolarHBondContact O-CG 3.42Å; V505-L509 PolarHBondContact O-N 3.03Å; M506-L509 HydrophobicContact CE-CD1 4.44Å; M506-L509 PolarHBondContact O-N 3.46Å
510	C	98.1	Very high	97	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.067	C	C	.	.	H	α-helix	trans	-77.7	-22.1	-177.2	-66.9	0	0	0	0	112.9	M506 K512 R669 L673 E674	M506-C510 WeakPolarHBondContact O-CB 3.49Å; M506-C510 PolarHBondContact O-N 3.38Å; M506-C510 PolarHBondContact O-SG 3.46Å; C510-K512 PolarHBondContact O-N 3.07Å; C510-R669 HydrophobicContact CB-CG 4.16Å; C510-L673 HydrophobicContact CB-CB 3.74Å; C510-L673 HydrophobicContact CB-CD1 4.12Å; C510-E674 WeakPolarHBondContact O-CA 3.25Å; C510-E674 WeakPolarHBondContact O-CG 3.31Å
511	S	96.8	Very high	96.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.			trans	-55.1	134.3	179.3	-178.2	0	0	0	0	112.8	R468 H507 G520 L673	R468-S511 PolarHBondContact NH2-O 3.48Å; H507-S511 WeakPolarHBondContact O-CB 3.33Å; H507-S511 PolarHBondContact O-N 3.34Å; S511-G520 PolarHBondContact OG-N 3.14Å; S511-L673 VanDerWaalsContact CA-O 3.3Å; S511-L673 WeakPolarHBondContact CA-O 3.41Å
512	K	94.6	Very high	96.8	Very high	91 Å²	91	19.2 Å²	19.2	40%	0.396	10%	0.095	S	C	.	.			trans	-132	78.8	-176.9	-73.1	176.9	-176.6	167.3	0	110	C510 E674	C510-K512 PolarHBondContact O-N 3.07Å; K512-E674 HydrophobicContact CB-CB 4.45Å; K512-E674 HydrophobicContact CD-CG 4Å; K512-E674 WeakPolarHBondContact CE-OE1 3.42Å; K512-E674 HydrophobicContact CG-CG 4.37Å; K512-E674 PolarHBondContact N-O 2.95Å; K512-E674 IonicContact NZ-OE1 2.82Å; K512-E674 PolarHBondContact NZ-OE1 3.38Å; K512-E674 IonicContact NZ-OE2 3.25Å
513	T	95.6	Very high	96.7	Very high	6 Å²	6	20.3 Å²	20.3	4%	0.037	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-111.4	167.7	-179.1	66.2	0	0	0	0	113.1	E161 C461 R462 F515 F518 T519 A675 A678	E161-T513 WeakPolarHBondContact OE1-CB 3.19Å; C461-T513 VanDerWaalsContact CA-O 3.24Å; C461-T513 WeakPolarHBondContact CA-O 3.47Å; R462-T513 PolarHBondContact N-O 3.44Å; T513-F515 PolarHBondContact OG1-O 2.93Å; T513-F518 HydrophobicContact CG2-CB 3.98Å; T513-F518 VanDerWaalsContact CG2-O 3.22Å; T513-F518 WeakPolarHBondContact CG2-O 3.49Å; T513-T519 WeakPolarHBondContact OG1-CG2 3.33Å; T513-A675 WeakPolarHBondContact CG2-O 3.48Å; T513-A678 HydrophobicContact CG2-CB 4.04Å
514	T	94.8	Very high	96.7	Very high	41 Å²	41	21 Å²	21	25%	0.252	11%	0.105	S	C	.	.	S	Bend	trans	-86	-41.7	172.8	-52.9	0	0	0	0	110.8	E161 C461 R462	E161-T514 VanDerWaalsContact CD-CB 3.45Å; E161-T514 VanDerWaalsContact CD-N 3.26Å; E161-T514 WeakPolarHBondContact OE1-CA 3.38Å; E161-T514 WeakPolarHBondContact OE1-CB 3.25Å; E161-T514 PolarHBondContact OE1-N 3.23Å; E161-T514 WeakPolarHBondContact OE2-CB 3.47Å; E161-T514 PolarHBondContact OE2-N 3.27Å; E161-T514 PolarHBondContact OE2-OG1 3.34Å; C461-T514 WeakPolarHBondContact CB-O 3.47Å; R462-T514 HydrophobicContact CB-CG2 4.49Å; R462-T514 PolarHBondContact N-O 2.98Å
515	F	96.2	Very high	96.4	Very high	15 Å²	15	22.4 Å²	22.4	7%	0.066	12%	0.115	C	C	.	.	S	Bend	trans	-106	143.9	-175.4	-59.2	-77.9	0	0	0	112.7	A94 E161 E162 F165 T513 E517 F518	A94-F515 HydrophobicContact CB-CD1 3.61Å; A94-F515 HydrophobicContact CB-CE1 3.71Å; E161-F515 HydrophobicContact CB-CD2 4.44Å; E161-F515 HydrophobicContact CB-CE2 4.32Å; E161-F515 HydrophobicContact CG-CD2 3.84Å; E161-F515 HydrophobicContact CG-CE2 4.21Å; E161-F515 WeakPolarHBondContact OE1-CD2 3.23Å; E161-F515 PolarHBondContact OE1-N 2.84Å; E162-F515 HydrophobicContact CB-CE2 4.44Å; E162-F515 HydrophobicContact CB-CZ 4.42Å; E162-F515 HydrophobicContact CG-CE2 3.96Å; E162-F515 HydrophobicContact CG-CZ 3.7Å; F165-F515 HydrophobicContact CB-CD1 4.45Å; F165-F515 HydrophobicContact CB-CD2 3.84Å; F165-F515 HydrophobicContact CB-CE2 3.97Å; F165-F515 HydrophobicContact CB-CG 4.11Å; F165-F515 HydrophobicContact CB-CZ 4.34Å; F165-F515 AromaticContact CD1-CD1 3.62Å; F165-F515 HydrophobicContact CD1-CD1 3.62Å; F165-F515 HydrophobicContact CD1-CD2 4.48Å; F165-F515 AromaticContact CD1-CE1 3.59Å; F165-F515 HydrophobicContact CD1-CE1 3.59Å; F165-F515 HydrophobicContact CD1-CE2 4.46Å; F165-F515 HydrophobicContact CD1-CG 4.09Å; F165-F515 HydrophobicContact CD1-CZ 4.04Å; F165-F515 HydrophobicContact CD2-CB 4.39Å; F165-F515 HydrophobicContact CD2-CD1 4.43Å; F165-F515 HydrophobicContact CD2-CG 4.29Å; F165-F515 AromaticContact CE1-CD1 3.91Å; F165-F515 HydrophobicContact CE1-CD1 3.91Å; F165-F515 HydrophobicContact CE1-CE1 4.03Å; F165-F515 HydrophobicContact CG-CB 4.49Å; F165-F515 AromaticContact CG-CD1 3.93Å; F165-F515 HydrophobicContact CG-CD1 3.93Å; F165-F515 HydrophobicContact CG-CD2 4.16Å; F165-F515 HydrophobicContact CG-CE1 4.21Å; F165-F515 HydrophobicContact CG-CE2 4.44Å; F165-F515 AromaticContact CG-CG 3.91Å; F165-F515 HydrophobicContact CG-CG 3.91Å; F165-F515 HydrophobicContact CG-CZ 4.46Å; F165-F515 HydrophobicContact CZ-CD1 4.42Å; T513-F515 PolarHBondContact OG1-O 2.93Å; F515-E517 PolarHBondContact O-N 2.68Å; F515-F518 HydrophobicContact CB-CD2 4.1Å; F515-F518 HydrophobicContact CD2-CD2 4.36Å; F515-F518 HydrophobicContact CD2-CE2 4.37Å; F515-F518 PolarHBondContact O-N 2.97Å
516	S	95.8	Very high	96.2	Very high	7 Å²	7	22.4 Å²	22.4	5%	0.049	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-59.3	-31.2	177.6	38.9	0	0	0	0	112.7	L98 F518 T519	L98-S516 PolarHBondContact N-OG 3.43Å; S516-F518 PolarHBondContact O-N 2.87Å; S516-F518 VanDerWaalsContact O-N 3.12Å; S516-T519 PolarHBondContact O-N 2.94Å; S516-T519 VanDerWaalsContact O-N 3.16Å; S516-T519 PolarHBondContact O-OG1 3.1Å
517	E	94.7	Very high	96.1	Very high	44 Å²	44	22.4 Å²	22.4	21%	0.206	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-68.6	-10.6	-177.4	-68.7	64.4	-134.4	0	0	113.6	K97 F165 F515 Q522	K97-E517 WeakPolarHBondContact CB-OE1 3.43Å; K97-E517 HydrophobicContact CD-CG 4.45Å; K97-E517 VanDerWaalsContact CD-OE1 3.3Å; K97-E517 WeakPolarHBondContact CD-OE1 3.43Å; F165-E517 HydrophobicContact CD2-CB 4.43Å; F165-E517 HydrophobicContact CD2-CG 4.39Å; F165-E517 HydrophobicContact CE2-CB 4.3Å; F165-E517 HydrophobicContact CE2-CG 3.78Å; F165-E517 WeakPolarHBondContact CE2-OE2 3.36Å; F515-E517 PolarHBondContact O-N 2.68Å; E517-Q522 VanDerWaalsContact O-CB 3.32Å; E517-Q522 WeakPolarHBondContact O-CB 3.37Å
518	F	97.1	Very high	96	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-118.6	4.3	179.5	-58.8	-39.3	0	0	0	112.3	E161 R164 F165 R168 T513 F515 S516 G676 G677 A678	E161-F518 HydrophobicContact CG-CD2 3.84Å; E161-F518 HydrophobicContact CG-CE2 4.13Å; R164-F518 HydrophobicContact CB-CE2 4.3Å; R164-F518 HydrophobicContact CB-CZ 4.26Å; R164-F518 HydrophobicContact CG-CE1 4.31Å; R164-F518 HydrophobicContact CG-CE2 4.11Å; R164-F518 HydrophobicContact CG-CZ 3.66Å; F165-F518 HydrophobicContact CB-CE2 3.88Å; F165-F518 HydrophobicContact CB-CZ 4.27Å; F165-F518 HydrophobicContact CD2-CE2 4.49Å; R168-F518 HydrophobicContact CB-CZ 4.38Å; R168-F518 HydrophobicContact CG-CE1 4.48Å; T513-F518 HydrophobicContact CG2-CB 3.98Å; T513-F518 VanDerWaalsContact CG2-O 3.22Å; T513-F518 WeakPolarHBondContact CG2-O 3.49Å; F515-F518 HydrophobicContact CB-CD2 4.1Å; F515-F518 HydrophobicContact CD2-CD2 4.36Å; F515-F518 HydrophobicContact CD2-CE2 4.37Å; F515-F518 PolarHBondContact O-N 2.97Å; S516-F518 PolarHBondContact O-N 2.87Å; S516-F518 VanDerWaalsContact O-N 3.12Å; F518-G676 CarbonylContact O-C 3.45Å; F518-G676 WeakPolarHBondContact O-CA 3.43Å; F518-G677 VanDerWaalsContact CD1-O 3.23Å; F518-G677 WeakPolarHBondContact CD1-O 3.36Å; F518-G677 PolarHBondContact O-N 3.03Å; F518-A678 HydrophobicContact CB-CB 4.22Å; F518-A678 HydrophobicContact CD2-CB 4.43Å; F518-A678 HydrophobicContact CG-CB 4.48Å
519	T	95.9	Very high	95.8	Very high	9 Å²	9	24 Å²	24	6%	0.055	12%	0.124	C	C	.	.	S	Bend	trans	-72.4	146.3	-179.3	53.6	0	0	0	0	112.6	P459 C461 T513 S516 T521 Q522	P459-T519 HydrophobicContact CB-CG2 3.93Å; P459-T519 WeakPolarHBondContact CB-OG1 3.23Å; C461-T519 HydrophobicContact CB-CG2 3.51Å; T513-T519 WeakPolarHBondContact OG1-CG2 3.33Å; S516-T519 PolarHBondContact O-N 2.94Å; S516-T519 VanDerWaalsContact O-N 3.16Å; S516-T519 PolarHBondContact O-OG1 3.1Å; T519-T521 PolarHBondContact O-N 3.48Å; T519-Q522 WeakPolarHBondContact O-CB 3.48Å; T519-Q522 WeakPolarHBondContact O-CG 3.31Å; T519-Q522 PolarHBondContact O-N 2.87Å
520	G	95.6	Very high	95.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-126.7	170	0	0	0	0	0	112.8	H507 S511 Q522	H507-G520 PolarHBondContact NE2-O 2.65Å; S511-G520 PolarHBondContact OG-N 3.14Å; G520-Q522 PolarHBondContact O-N 3.23Å
521	T	95.8	Very high	95.6	Very high	39 Å²	39	24 Å²	24	24%	0.239	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	11.7	-178.4	60.3	0	0	0	0	114.3	H504 H507 E508 T519 V523 V528	H504-T521 HydrophobicContact CB-CG2 4.41Å; H507-T521 HydrophobicContact CB-CG2 4.14Å; E508-T521 HydrophobicContact CG-CG2 4.25Å; E508-T521 VanDerWaalsContact OE1-CB 3.25Å; E508-T521 WeakPolarHBondContact OE1-CB 3.3Å; E508-T521 VanDerWaalsContact OE1-CG2 3.27Å; E508-T521 WeakPolarHBondContact OE1-CG2 3.46Å; E508-T521 PolarHBondContact OE1-N 2.94Å; E508-T521 PolarHBondContact OE1-OG1 3.29Å; T519-T521 PolarHBondContact O-N 3.48Å; T521-V523 PolarHBondContact O-N 3.37Å; T521-V528 HydrophobicContact CG2-CG2 4.31Å
522	Q	95.6	Very high	95.5	Very high	119 Å²	119	24 Å²	24	56%	0.556	12%	0.124	S	C	*	.			trans	-74.7	55.1	174.7	-61.5	-70.5	-8.2	0	0	112.7	E517 T519 G520 G677	E517-Q522 VanDerWaalsContact O-CB 3.32Å; E517-Q522 WeakPolarHBondContact O-CB 3.37Å; T519-Q522 WeakPolarHBondContact O-CB 3.48Å; T519-Q522 WeakPolarHBondContact O-CG 3.31Å; T519-Q522 PolarHBondContact O-N 2.87Å; G520-Q522 PolarHBondContact O-N 3.23Å; Q522-G677 WeakPolarHBondContact O-CA 3.38Å
523	V	96.8	Very high	95.5	Very high	24 Å²	24	20.5 Å²	20.5	15%	0.145	11%	0.109	C	C	.	.	S	Bend	trans	-106.8	-177.4	177.9	-66.1	0	0	0	0	110.4	T521 F527 V528 G676 M684	T521-V523 PolarHBondContact O-N 3.37Å; V523-F527 HydrophobicContact CB-CD1 3.93Å; V523-F527 HydrophobicContact CG1-CD1 4.11Å; V523-F527 HydrophobicContact CG2-CB 4.34Å; V523-F527 HydrophobicContact CG2-CD1 3.89Å; V523-V528 HydrophobicContact CG2-CB 3.73Å; V523-V528 HydrophobicContact CG2-CG2 3.95Å; V523-G676 VanDerWaalsContact CG1-C 3.48Å; V523-G676 WeakPolarHBondContact CG1-O 3.41Å; V523-M684 HydrophobicContact CG1-CE 4.3Å
524	E	96.8	Very high	95.5	Very high	13 Å²	13	20.2 Å²	20.2	6%	0.061	11%	0.107	C	C	.	.			trans	-61.5	142.3	170.4	-59	96.5	142.7	0	0	111.7	I309 M311 D526 F527 V528 D680 G681	I309-E524 WeakPolarHBondContact O-CG 3.47Å; M311-E524 HydrophobicContact CG-CB 4.01Å; M311-E524 HydrophobicContact CG-CG 4.22Å; E524-D526 WeakPolarHBondContact CB-OD1 3.43Å; E524-D526 PolarHBondContact O-N 2.97Å; E524-F527 HydrophobicContact CB-CB 4.25Å; E524-F527 WeakPolarHBondContact O-CA 3.32Å; E524-F527 WeakPolarHBondContact O-CB 3.43Å; E524-F527 PolarHBondContact O-N 3.46Å; E524-V528 PolarHBondContact O-N 2.95Å; E524-D680 WeakPolarHBondContact OE1-CA 3.24Å; E524-G681 PolarHBondContact OE1-N 2.73Å; E524-G681 PolarHBondContact OE2-N 2.74Å
525	T	92.5	Very high	95.5	Very high	44 Å²	44	18.4 Å²	18.4	27%	0.27	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.6	-178.6	-42.5	0	0	0	0	113	N310 F527 V528 Y632 Q635	N310-T525 WeakPolarHBondContact ND2-CB 3.45Å; T525-F527 VanDerWaalsContact C-N 3.26Å; T525-F527 PolarHBondContact O-N 3.11Å; T525-V528 WeakPolarHBondContact O-CG1 3.34Å; T525-Y632 HydrophobicContact CG2-CE1 4.25Å; T525-Q635 PolarHBondContact OG1-OE1 3.5Å
526	D	95.3	Very high	95.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	11.8	175.4	61	-20.9	0	0	0	113.3	N310 M311 A312 E524 Y637 W641 S642	N310-D526 WeakPolarHBondContact CA-OD1 3.26Å; N310-D526 WeakPolarHBondContact CB-OD1 3.3Å; N310-D526 PolarHBondContact ND2-OD1 3.21Å; M311-D526 WeakPolarHBondContact CB-OD2 3.15Å; M311-D526 VanDerWaalsContact N-CG 3.33Å; M311-D526 PolarHBondContact N-OD1 3.3Å; M311-D526 PolarHBondContact N-OD2 2.79Å; M311-D526 VanDerWaalsContact N-OD2 3.13Å; A312-D526 PolarHBondContact N-OD2 2.69Å; E524-D526 WeakPolarHBondContact CB-OD1 3.43Å; E524-D526 PolarHBondContact O-N 2.97Å; D526-Y637 HydrophobicContact CB-CE2 4.03Å; D526-Y637 VanDerWaalsContact CG-OH 3.29Å; D526-Y637 PolarHBondContact OD2-OH 2.97Å; D526-W641 HydrophobicContact CB-CG 4.31Å; D526-S642 PolarHBondContact O-OG 2.75Å
527	F	96.8	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-28.1	166.9	-169.6	-105.9	0	0	0	113.1	M311 V523 E524 T525 E529 V530 P531 I672 M684 L685	M311-F527 HydrophobicContact CE-CD2 4.05Å; M311-F527 HydrophobicContact CG-CB 4.17Å; M311-F527 HydrophobicContact SD-CB 3.53Å; M311-F527 VanDerWaalsContact SD-CB 3.53Å; M311-F527 HydrophobicContact SD-CD2 3.56Å; M311-F527 VanDerWaalsContact SD-CD2 3.56Å; M311-F527 HydrophobicContact SD-CG 3.98Å; V523-F527 HydrophobicContact CB-CD1 3.93Å; V523-F527 HydrophobicContact CG1-CD1 4.11Å; V523-F527 HydrophobicContact CG2-CB 4.34Å; V523-F527 HydrophobicContact CG2-CD1 3.89Å; E524-F527 HydrophobicContact CB-CB 4.25Å; E524-F527 WeakPolarHBondContact O-CA 3.32Å; E524-F527 WeakPolarHBondContact O-CB 3.43Å; E524-F527 PolarHBondContact O-N 3.46Å; T525-F527 VanDerWaalsContact C-N 3.26Å; T525-F527 PolarHBondContact O-N 3.11Å; F527-E529 PolarHBondContact O-N 2.94Å; F527-V530 HydrophobicContact CD2-CB 4.09Å; F527-V530 HydrophobicContact CD2-CG2 3.86Å; F527-V530 HydrophobicContact CE2-CB 4.04Å; F527-V530 HydrophobicContact CE2-CG1 4.05Å; F527-V530 HydrophobicContact CE2-CG2 4.18Å; F527-V530 HydrophobicContact CG-CG2 4.5Å; F527-V530 HydrophobicContact CZ-CB 4.48Å; F527-V530 HydrophobicContact CZ-CG1 4.47Å; F527-V530 VanDerWaalsContact O-CB 3.25Å; F527-V530 WeakPolarHBondContact O-CB 3.45Å; F527-V530 WeakPolarHBondContact O-CG2 3.4Å; F527-V530 PolarHBondContact O-N 2.69Å; F527-P531 WeakPolarHBondContact O-CD 3.46Å; F527-I672 HydrophobicContact CE1-CG2 4.36Å; F527-I672 HydrophobicContact CZ-CD1 4.45Å; F527-I672 HydrophobicContact CZ-CG2 4Å; F527-M684 HydrophobicContact CD1-CE 3.81Å; F527-M684 HydrophobicContact CE1-CE 3.37Å; F527-M684 HydrophobicContact CE1-SD 4.32Å; F527-M684 HydrophobicContact CZ-CB 4.35Å; F527-M684 HydrophobicContact CZ-CE 3.82Å; F527-M684 HydrophobicContact CZ-SD 4.47Å; F527-L685 HydrophobicContact CE2-CD1 4.35Å; F527-L685 HydrophobicContact CE2-CD2 3.96Å; F527-L685 HydrophobicContact CE2-CG 3.88Å
528	V	95	Very high	95.5	Very high	24 Å²	24	16.5 Å²	16.5	15%	0.145	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.5	-169.4	75.2	0	0	0	0	113.6	H504 T521 V523 E524 T525 P531	H504-V528 PolarHBondContact CE1-O 3.23Å; H504-V528 VanDerWaalsContact CE1-O 3.27Å; T521-V528 HydrophobicContact CG2-CG2 4.31Å; V523-V528 HydrophobicContact CG2-CB 3.73Å; V523-V528 HydrophobicContact CG2-CG2 3.95Å; E524-V528 PolarHBondContact O-N 2.95Å; T525-V528 WeakPolarHBondContact O-CG1 3.34Å; V528-P531 WeakPolarHBondContact O-CD 3.36Å
529	E	94.3	Very high	95.5	Very high	22 Å²	22	16.3 Å²	16.3	10%	0.103	9%	0.086	C	C	.	.	H	α-helix	trans	-85.7	-6.5	178.6	-60.1	-61.3	172.5	0	0	114	H500 H504 F527 S532 Q533 Y639	H500-E529 IonicContact CE1-OE2 3.64Å; H500-E529 PolarHBondContact CE1-OE2 3.24Å; H500-E529 IonicContact NE2-OE2 2.69Å; H500-E529 PolarHBondContact NE2-OE2 3.16Å; H500-E529 VanDerWaalsContact NE2-OE2 3.09Å; H504-E529 IonicContact CE1-OE2 2.74Å; H504-E529 PolarHBondContact CE1-OE2 3.01Å; H504-E529 IonicContact NE2-OE1 3.61Å; H504-E529 IonicContact NE2-OE2 3.88Å; H504-E529 PolarHBondContact NE2-OE2 3.35Å; F527-E529 PolarHBondContact O-N 2.94Å; E529-S532 WeakPolarHBondContact CA-OG 3.42Å; E529-S532 PolarHBondContact O-OG 3Å; E529-S532 PolarHBondContact OE2-OG 3.16Å; E529-Q533 HydrophobicContact CB-CG 4.27Å; E529-Q533 VanDerWaalsContact O-CB 3.24Å; E529-Q533 WeakPolarHBondContact O-CB 3.28Å; E529-Q533 VanDerWaalsContact O-CG 3.3Å; E529-Q533 WeakPolarHBondContact O-CG 3.13Å; E529-Q533 PolarHBondContact O-N 3.05Å; E529-Y639 HydrophobicContact CG-CD1 4.47Å
530	V	96.6	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-48.9	178.8	172.1	0	0	0	0	110.9	F527 M534 S646 I649 L685	F527-V530 HydrophobicContact CD2-CB 4.09Å; F527-V530 HydrophobicContact CD2-CG2 3.86Å; F527-V530 HydrophobicContact CE2-CB 4.04Å; F527-V530 HydrophobicContact CE2-CG1 4.05Å; F527-V530 HydrophobicContact CE2-CG2 4.18Å; F527-V530 HydrophobicContact CG-CG2 4.5Å; F527-V530 HydrophobicContact CZ-CB 4.48Å; F527-V530 HydrophobicContact CZ-CG1 4.47Å; F527-V530 VanDerWaalsContact O-CB 3.25Å; F527-V530 WeakPolarHBondContact O-CB 3.45Å; F527-V530 WeakPolarHBondContact O-CG2 3.4Å; F527-V530 PolarHBondContact O-N 2.69Å; V530-M534 WeakPolarHBondContact O-CB 3.34Å; V530-M534 PolarHBondContact O-N 3.48Å; V530-M534 VanDerWaalsContact O-N 3.1Å; V530-S646 WeakPolarHBondContact O-CB 3.27Å; V530-I649 HydrophobicContact CG1-CD1 3.5Å; V530-L685 HydrophobicContact CG1-CD2 4.27Å
531	P	95.9	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.2	-50.5	175.7	-29.5	39.7	0	0	0	114.2	F527 V528 M534 L535 Y668 I672 L673	F527-P531 WeakPolarHBondContact O-CD 3.46Å; V528-P531 WeakPolarHBondContact O-CD 3.36Å; P531-M534 PolarHBondContact O-N 3.1Å; P531-L535 VanDerWaalsContact O-CD1 3.31Å; P531-L535 WeakPolarHBondContact O-CD1 3.29Å; P531-L535 PolarHBondContact O-N 3.23Å; P531-Y668 VanDerWaalsContact CA-OH 3.27Å; P531-Y668 WeakPolarHBondContact CA-OH 3.43Å; P531-Y668 VanDerWaalsContact CB-OH 3.28Å; P531-Y668 WeakPolarHBondContact CB-OH 3.24Å; P531-I672 HydrophobicContact CG-CG2 4.08Å; P531-L673 HydrophobicContact CB-CD2 4.08Å; P531-L673 HydrophobicContact CG-CD2 4.31Å
532	S	94.8	Very high	95.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.4	-50.5	-176.2	53.9	0	0	0	0	111.9	H500 H504 E529 M534 L535 E536	H500-S532 PolarHBondContact CE1-OG 3.19Å; H500-S532 VanDerWaalsContact O-CB 3.26Å; H500-S532 WeakPolarHBondContact O-CB 3.49Å; H504-S532 VanDerWaalsContact CE1-CB 3.46Å; H504-S532 WeakPolarHBondContact CE1-CB 3.42Å; H504-S532 PolarHBondContact CE1-OG 3.48Å; H504-S532 VanDerWaalsContact CE1-OG 3.26Å; H504-S532 WeakPolarHBondContact NE2-CB 3.39Å; H504-S532 PolarHBondContact NE2-OG 3.16Å; E529-S532 WeakPolarHBondContact CA-OG 3.42Å; E529-S532 PolarHBondContact O-OG 3Å; E529-S532 PolarHBondContact OE2-OG 3.16Å; S532-M534 VanDerWaalsContact C-N 3.29Å; S532-M534 PolarHBondContact O-N 3.4Å; S532-L535 PolarHBondContact O-N 3.03Å; S532-L535 VanDerWaalsContact O-N 3.12Å; S532-E536 PolarHBondContact O-N 2.85Å
533	Q	94.4	Very high	95.4	Very high	18 Å²	18	18.2 Å²	18.2	8%	0.084	9%	0.089	C	C	.	.	H	α-helix	trans	-68.3	-27.7	-180	-67.1	-179.9	-24	0	0	112.9	E529 L535 E536 N537 Y639	E529-Q533 HydrophobicContact CB-CG 4.27Å; E529-Q533 VanDerWaalsContact O-CB 3.24Å; E529-Q533 WeakPolarHBondContact O-CB 3.28Å; E529-Q533 VanDerWaalsContact O-CG 3.3Å; E529-Q533 WeakPolarHBondContact O-CG 3.13Å; E529-Q533 PolarHBondContact O-N 3.05Å; Q533-L535 VanDerWaalsContact C-N 3.27Å; Q533-L535 PolarHBondContact O-N 3.15Å; Q533-E536 WeakPolarHBondContact O-CB 3.41Å; Q533-E536 PolarHBondContact O-N 3.38Å; Q533-N537 PolarHBondContact O-ND2 3.12Å; Q533-Y639 PolarHBondContact OE1-O 3.36Å
534	M	95.4	Very high	95.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.4	-41.9	173.5	-176.5	-80.5	-68.3	0	0	110.1	V530 P531 S532 N537 W538 I649 F650 F654 Y668	V530-M534 WeakPolarHBondContact O-CB 3.34Å; V530-M534 PolarHBondContact O-N 3.48Å; V530-M534 VanDerWaalsContact O-N 3.1Å; P531-M534 PolarHBondContact O-N 3.1Å; S532-M534 VanDerWaalsContact C-N 3.29Å; S532-M534 PolarHBondContact O-N 3.4Å; M534-N537 WeakPolarHBondContact O-CB 3.49Å; M534-N537 PolarHBondContact O-N 3.1Å; M534-N537 PolarHBondContact O-ND2 3.11Å; M534-W538 HydrophobicContact SD-CH2 3.76Å; M534-W538 HydrophobicContact SD-CZ3 3.4Å; M534-W538 WeakPolarHBondContact SD-CZ3 3.38Å; M534-I649 HydrophobicContact CG-CB 4.15Å; M534-I649 HydrophobicContact CG-CG2 3.71Å; M534-I649 HydrophobicContact SD-CG2 4.48Å; M534-F650 HydrophobicContact CG-CB 4.38Å; M534-F654 HydrophobicContact CE-CE2 4.03Å; M534-F654 HydrophobicContact CE-CZ 4.43Å; M534-F654 HydrophobicContact SD-CD2 4.12Å; M534-F654 HydrophobicContact SD-CE2 3.87Å; M534-Y668 HydrophobicContact CE-CD1 4.02Å; M534-Y668 HydrophobicContact CE-CD2 3.87Å; M534-Y668 HydrophobicContact CE-CE1 3.5Å; M534-Y668 VanDerWaalsContact CE-CE1 3.5Å; M534-Y668 HydrophobicContact CE-CE2 3.35Å; M534-Y668 HydrophobicContact CE-CG 4.18Å; M534-Y668 WeakPolarHBondContact CE-OH 3.22Å
535	L	93.4	Very high	95.5	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-76.1	-22.5	-176.6	-70.1	154	0	0	0	113.1	Y400 L403 G503 P531 S532 Q533 N537 W538	Y400-L535 HydrophobicContact CE1-CD1 3.7Å; Y400-L535 HydrophobicContact CE1-CD2 3.79Å; Y400-L535 HydrophobicContact CE1-CG 4.26Å; Y400-L535 WeakPolarHBondContact OH-CB 3.44Å; Y400-L535 WeakPolarHBondContact OH-CD1 3.41Å; L403-L535 HydrophobicContact CD2-CD2 4.06Å; G503-L535 VanDerWaalsContact CA-CD1 3.47Å; P531-L535 VanDerWaalsContact O-CD1 3.31Å; P531-L535 WeakPolarHBondContact O-CD1 3.29Å; P531-L535 PolarHBondContact O-N 3.23Å; S532-L535 PolarHBondContact O-N 3.03Å; S532-L535 VanDerWaalsContact O-N 3.12Å; Q533-L535 VanDerWaalsContact C-N 3.27Å; Q533-L535 PolarHBondContact O-N 3.15Å; L535-N537 PolarHBondContact O-N 3.32Å; L535-N537 VanDerWaalsContact O-N 3.11Å; L535-W538 HydrophobicContact CD2-CZ3 4.5Å; L535-W538 PolarHBondContact O-N 3.38Å; L535-W538 VanDerWaalsContact O-N 3.12Å
536	E	95.8	Very high	95.7	Very high	27 Å²	27	20.4 Å²	20.4	13%	0.126	9%	0.089	C	C	.	.	H	α-helix	trans	-54.1	-29.1	168.4	-67	173.1	-161.4	0	0	112	E496 H500 S532 Q533 W538 V539 W540	E496-E536 HydrophobicContact CG-CB 4.18Å; E496-E536 HydrophobicContact CG-CG 4Å; H500-E536 HydrophobicContact CB-CG 4.06Å; H500-E536 IonicContact CE1-OE1 2.66Å; H500-E536 IonicContact CG-OE1 3.81Å; H500-E536 IonicContact ND1-OE1 2.82Å; H500-E536 PolarHBondContact ND1-OE1 3.12Å; S532-E536 PolarHBondContact O-N 2.85Å; Q533-E536 WeakPolarHBondContact O-CB 3.41Å; Q533-E536 PolarHBondContact O-N 3.38Å; E536-W538 PolarHBondContact O-N 2.76Å; E536-W538 VanDerWaalsContact O-N 3.1Å; E536-V539 WeakPolarHBondContact O-CG2 3.5Å; E536-V539 PolarHBondContact O-N 3.43Å; E536-V539 VanDerWaalsContact O-N 3.12Å; E536-W540 VanDerWaalsContact O-CD1 3.27Å
537	N	95.3	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-58.4	-27.3	179.4	-71.9	-73.5	0	0	0	113.7	Q533 M534 L535 V539 W540 R570 M647 F650	Q533-N537 PolarHBondContact O-ND2 3.12Å; M534-N537 WeakPolarHBondContact O-CB 3.49Å; M534-N537 PolarHBondContact O-N 3.1Å; M534-N537 PolarHBondContact O-ND2 3.11Å; L535-N537 PolarHBondContact O-N 3.32Å; L535-N537 VanDerWaalsContact O-N 3.11Å; N537-V539 VanDerWaalsContact C-N 3.29Å; N537-V539 PolarHBondContact O-N 2.84Å; N537-W540 PolarHBondContact O-N 3.26Å; N537-W540 VanDerWaalsContact O-N 3.11Å; N537-R570 PolarHBondContact OD1-NH1 2.71Å; N537-R570 PolarHBondContact OD1-NH2 3.36Å; N537-M647 WeakPolarHBondContact ND2-CE 3.45Å; N537-M647 WeakPolarHBondContact OD1-CE 3.23Å; N537-M647 PolarHBondContact OD1-SD 2.74Å; N537-F650 HydrophobicContact CB-CB 4.43Å; N537-F650 HydrophobicContact CB-CD1 3.76Å; N537-F650 HydrophobicContact CB-CD2 3.48Å; N537-F650 VanDerWaalsContact CB-CD2 3.48Å; N537-F650 HydrophobicContact CB-CE1 3.78Å; N537-F650 HydrophobicContact CB-CE2 3.49Å; N537-F650 VanDerWaalsContact CB-CE2 3.49Å; N537-F650 HydrophobicContact CB-CG 3.6Å; N537-F650 HydrophobicContact CB-CZ 3.65Å
538	W	96.9	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-66.2	-32.1	-179.9	-88	-114.8	0	0	0	111.8	I399 L403 F499 M534 L535 E536 W540 E541 P544 F650 F654 I659 M660	I399-W538 VanDerWaalsContact CG2-CD1 3.44Å; I399-W538 HydrophobicContact CG2-CG 4.27Å; L403-W538 HydrophobicContact CD1-CZ2 3.99Å; L403-W538 HydrophobicContact CD2-CH2 4.21Å; L403-W538 HydrophobicContact CD2-CZ2 3.68Å; F499-W538 HydrophobicContact CD1-CB 4.06Å; F499-W538 HydrophobicContact CE1-CB 3.78Å; M534-W538 HydrophobicContact SD-CH2 3.76Å; M534-W538 HydrophobicContact SD-CZ3 3.4Å; M534-W538 WeakPolarHBondContact SD-CZ3 3.38Å; L535-W538 HydrophobicContact CD2-CZ3 4.5Å; L535-W538 PolarHBondContact O-N 3.38Å; L535-W538 VanDerWaalsContact O-N 3.12Å; E536-W538 PolarHBondContact O-N 2.76Å; E536-W538 VanDerWaalsContact O-N 3.1Å; W538-W540 PolarHBondContact O-N 2.82Å; W538-E541 PolarHBondContact O-N 2.8Å; W538-E541 VanDerWaalsContact O-N 3.16Å; W538-P544 HydrophobicContact CB-CB 4.08Å; W538-P544 HydrophobicContact CB-CG 4.22Å; W538-P544 VanDerWaalsContact CD1-CG 3.44Å; W538-P544 HydrophobicContact CG-CB 4.36Å; W538-P544 HydrophobicContact CG-CG 4.06Å; W538-P544 VanDerWaalsContact O-CB 3.26Å; W538-P544 WeakPolarHBondContact O-CB 3.37Å; W538-F650 HydrophobicContact CE3-CD2 4.15Å; W538-F650 AromaticContact CE3-CE2 3.96Å; W538-F650 HydrophobicContact CE3-CE2 3.96Å; W538-F650 AromaticContact CH2-CD2 3.97Å; W538-F650 HydrophobicContact CH2-CD2 3.97Å; W538-F650 HydrophobicContact CH2-CE2 4.09Å; W538-F650 AromaticContact CZ3-CD2 3.46Å; W538-F650 HydrophobicContact CZ3-CD2 3.46Å; W538-F650 VanDerWaalsContact CZ3-CD2 3.46Å; W538-F650 AromaticContact CZ3-CE2 3.64Å; W538-F650 HydrophobicContact CZ3-CE2 3.64Å; W538-F654 HydrophobicContact CH2-CB 4.1Å; W538-F654 AromaticContact CH2-CD1 3.7Å; W538-F654 HydrophobicContact CH2-CD1 3.7Å; W538-F654 AromaticContact CH2-CD2 3.97Å; W538-F654 HydrophobicContact CH2-CD2 3.97Å; W538-F654 HydrophobicContact CH2-CE1 4.07Å; W538-F654 HydrophobicContact CH2-CE2 4.29Å; W538-F654 AromaticContact CH2-CG 3.64Å; W538-F654 HydrophobicContact CH2-CG 3.64Å; W538-F654 HydrophobicContact CH2-CZ 4.32Å; W538-F654 AromaticContact CZ2-CD1 3.89Å; W538-F654 HydrophobicContact CZ2-CD1 3.89Å; W538-F654 HydrophobicContact CZ2-CE1 4.25Å; W538-F654 HydrophobicContact CZ2-CG 4.25Å; W538-I659 WeakPolarHBondContact CZ2-O 3.34Å; W538-I659 PolarHBondContact NE1-O 2.79Å; W538-M660 PolarHBondContact NE1-SD 3.36Å; W538-M660 VanDerWaalsContact NE1-SD 3.36Å
539	V	96.4	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-74	3	177.9	-50.4	0	0	0	0	113.1	H492 V495 E496 F499 E536 N537 L545 M548	H492-V539 PolarHBondContact NE2-O 2.74Å; V495-V539 HydrophobicContact CG1-CG1 3.92Å; E496-V539 HydrophobicContact CB-CG2 3.75Å; E496-V539 HydrophobicContact CG-CG2 3.84Å; F499-V539 HydrophobicContact CB-CG1 3.92Å; F499-V539 HydrophobicContact CD1-CG1 4.2Å; F499-V539 HydrophobicContact CD2-CG1 3.31Å; F499-V539 HydrophobicContact CE2-CG1 3.83Å; F499-V539 HydrophobicContact CG-CG1 3.52Å; F499-V539 HydrophobicContact CZ-CG1 4.46Å; E536-V539 WeakPolarHBondContact O-CG2 3.5Å; E536-V539 PolarHBondContact O-N 3.43Å; E536-V539 VanDerWaalsContact O-N 3.12Å; N537-V539 VanDerWaalsContact C-N 3.29Å; N537-V539 PolarHBondContact O-N 2.84Å; V539-L545 WeakPolarHBondContact O-CD2 3.49Å; V539-M548 HydrophobicContact CG1-CE 4.32Å; V539-M548 HydrophobicContact CG1-SD 4.18Å
540	W	95.3	Very high	95.9	Very high	28 Å²	28	24.4 Å²	24.4	11%	0.106	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-117.6	8.5	176.4	-61.9	102.8	0	0	0	112.8	H492 E496 E536 N537 W538 L566 I567 R570	H492-W540 AromaticContact CE1-CD2 3.95Å; H492-W540 AromaticContact CE1-CE2 3.7Å; H492-W540 AromaticContact CE1-CE3 3.91Å; H492-W540 AromaticContact CE1-CH2 3.48Å; H492-W540 VanDerWaalsContact CE1-CH2 3.48Å; H492-W540 WeakPolarHBondContact CE1-CH2 3.47Å; H492-W540 AromaticContact CE1-CZ2 3.49Å; H492-W540 VanDerWaalsContact CE1-CZ2 3.49Å; H492-W540 WeakPolarHBondContact CE1-CZ2 3.38Å; H492-W540 AromaticContact CE1-CZ3 3.68Å; H492-W540 AromaticContact ND1-CH2 3.93Å; E496-W540 PolarHBondContact OE1-NE1 2.98Å; E536-W540 VanDerWaalsContact O-CD1 3.27Å; N537-W540 PolarHBondContact O-N 3.26Å; N537-W540 VanDerWaalsContact O-N 3.11Å; W538-W540 PolarHBondContact O-N 2.82Å; W540-L566 HydrophobicContact CZ3-CD1 4.45Å; W540-I567 WeakPolarHBondContact O-CG2 3.19Å; W540-R570 VanDerWaalsContact CD1-CZ 3.4Å; W540-R570 HydrophobicContact CD2-CB 4.01Å; W540-R570 VanDerWaalsContact CD2-CD 3.45Å; W540-R570 HydrophobicContact CD2-CG 3.58Å; W540-R570 HydrophobicContact CE3-CB 3.49Å; W540-R570 VanDerWaalsContact CE3-CB 3.49Å; W540-R570 HydrophobicContact CE3-CG 3.63Å; W540-R570 VanDerWaalsContact CG-CD 3.42Å; W540-R570 HydrophobicContact CG-CG 4.12Å; W540-R570 HydrophobicContact CH2-CB 4.1Å; W540-R570 HydrophobicContact CH2-CG 4.08Å; W540-R570 HydrophobicContact CZ2-CG 4.05Å; W540-R570 HydrophobicContact CZ3-CB 3.54Å; W540-R570 HydrophobicContact CZ3-CG 3.88Å
541	E	95.4	Very high	96	Very high	30 Å²	30	25.3 Å²	25.3	14%	0.14	11%	0.111	C	C	.	.	S	Bend	trans	-112.2	136.7	179.5	-67.6	-65.8	155.4	0	0	110.8	W538 E543 P544 L545 F650 K655 I659	W538-E541 PolarHBondContact O-N 2.8Å; W538-E541 VanDerWaalsContact O-N 3.16Å; E541-E543 PolarHBondContact O-N 3.43Å; E541-P544 HydrophobicContact CB-CG 3.89Å; E541-P544 WeakPolarHBondContact O-CD 3.26Å; E541-L545 WeakPolarHBondContact O-CB 3.26Å; E541-L545 WeakPolarHBondContact O-CG 3.48Å; E541-L545 PolarHBondContact O-N 3.08Å; E541-F650 HydrophobicContact CG-CZ 3.97Å; E541-K655 IonicContact OE1-NZ 3.94Å; E541-K655 PolarHBondContact OE1-NZ 2.81Å; E541-K655 IonicContact OE2-NZ 2.63Å; E541-K655 PolarHBondContact OE2-NZ 3.24Å; E541-I659 HydrophobicContact CB-CD1 3.55Å; E541-I659 HydrophobicContact CG-CD1 3.73Å
542	K	95.6	Very high	95.9	Very high	63 Å²	63	27.1 Å²	27.1	27%	0.274	12%	0.118	S	C	.	.	H	α-helix	trans	-61.1	-42	-171.1	-168.5	166.8	-171.7	157.5	0	113.1	R546 D560 L563 D564 I567	K542-R546 WeakPolarHBondContact O-CG 3.15Å; K542-R546 PolarHBondContact O-N 2.66Å; K542-R546 VanDerWaalsContact O-N 3.12Å; K542-D560 WeakPolarHBondContact CE-OD1 3.46Å; K542-D560 IonicContact NZ-OD1 2.89Å; K542-D560 PolarHBondContact NZ-OD1 3.47Å; K542-L563 HydrophobicContact CG-CD1 4.02Å; K542-D564 IonicContact NZ-OD1 2.86Å; K542-D564 PolarHBondContact NZ-OD1 3.29Å; K542-D564 IonicContact NZ-OD2 2.73Å; K542-D564 PolarHBondContact NZ-OD2 2.97Å; K542-I567 HydrophobicContact CB-CD1 3.92Å
543	E	95.7	Very high	95.8	Very high	86 Å²	86	34.2 Å²	34.2	40%	0.402	15%	0.149	S	C	.	.	H	α-helix	trans	-65.4	-56.2	179.8	167.9	-171.3	-168.6	0	0	111.9	E541 L545 R546 R547	E541-E543 PolarHBondContact O-N 3.43Å; E543-L545 VanDerWaalsContact C-N 3.32Å; E543-L545 PolarHBondContact O-N 3.06Å; E543-R546 PolarHBondContact O-N 3Å; E543-R547 WeakPolarHBondContact O-CG 3.45Å; E543-R547 PolarHBondContact O-N 3.45Å; E543-R547 IonicContact OE1-CZ 2.92Å; E543-R547 IonicContact OE1-NE 3.72Å; E543-R547 PolarHBondContact OE1-NE 3.43Å; E543-R547 IonicContact OE1-NH2 2.65Å; E543-R547 PolarHBondContact OE1-NH2 2.8Å
544	P	96.9	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-43.3	174.6	-29.9	36	0	0	0	113.4	I399 W538 E541 R546 R547 M548 I659	I399-P544 HydrophobicContact CD1-CB 3.79Å; W538-P544 HydrophobicContact CB-CB 4.08Å; W538-P544 HydrophobicContact CB-CG 4.22Å; W538-P544 VanDerWaalsContact CD1-CG 3.44Å; W538-P544 HydrophobicContact CG-CB 4.36Å; W538-P544 HydrophobicContact CG-CG 4.06Å; W538-P544 VanDerWaalsContact O-CB 3.26Å; W538-P544 WeakPolarHBondContact O-CB 3.37Å; E541-P544 HydrophobicContact CB-CG 3.89Å; E541-P544 WeakPolarHBondContact O-CD 3.26Å; P544-R546 VanDerWaalsContact C-N 3.27Å; P544-R546 PolarHBondContact O-N 2.77Å; P544-R547 WeakPolarHBondContact O-CA 3.4Å; P544-R547 WeakPolarHBondContact O-CB 3.42Å; P544-R547 PolarHBondContact O-N 3.41Å; P544-M548 VanDerWaalsContact C-CE 3.43Å; P544-M548 HydrophobicContact CB-CE 3.72Å; P544-M548 VanDerWaalsContact O-CE 3.23Å; P544-M548 WeakPolarHBondContact O-CE 3.37Å; P544-M548 WeakPolarHBondContact O-CG 3.48Å; P544-M548 PolarHBondContact O-N 3.43Å; P544-M548 VanDerWaalsContact O-N 3.11Å; P544-I659 HydrophobicContact CG-CD1 3.86Å
545	L	97.1	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-39.8	178.7	-80.8	169	0	0	0	112.2	F387 V539 E541 E543 R547 M548 S549 L563 L566 I567	F387-L545 HydrophobicContact CE1-CD2 4.26Å; F387-L545 HydrophobicContact CZ-CD2 4.01Å; V539-L545 WeakPolarHBondContact O-CD2 3.49Å; E541-L545 WeakPolarHBondContact O-CB 3.26Å; E541-L545 WeakPolarHBondContact O-CG 3.48Å; E541-L545 PolarHBondContact O-N 3.08Å; E543-L545 VanDerWaalsContact C-N 3.32Å; E543-L545 PolarHBondContact O-N 3.06Å; L545-R547 VanDerWaalsContact C-N 3.34Å; L545-R547 PolarHBondContact O-N 2.76Å; L545-M548 HydrophobicContact CD2-SD 4.19Å; L545-M548 WeakPolarHBondContact O-CG 3.06Å; L545-M548 PolarHBondContact O-N 3.25Å; L545-S549 VanDerWaalsContact O-CB 3.29Å; L545-S549 WeakPolarHBondContact O-CB 3.46Å; L545-S549 PolarHBondContact O-N 3.16Å; L545-S549 PolarHBondContact O-OG 3.42Å; L545-L563 HydrophobicContact CB-CD2 3.77Å; L545-L563 HydrophobicContact CD1-CD2 3.95Å; L545-L563 HydrophobicContact CG-CD2 4.37Å; L545-L566 HydrophobicContact CD1-CD2 4.14Å; L545-L566 HydrophobicContact CD2-CD2 4.29Å; L545-I567 HydrophobicContact CD1-CD1 4.13Å; L545-I567 HydrophobicContact CD1-CG1 3.91Å
546	R	96.4	Very high	96.1	Very high	128 Å²	128	42.8 Å²	42.8	48%	0.483	21%	0.208	S	C	.	.	H	α-helix	trans	-64.9	-35.6	173.8	-77.3	-176.8	171	-160.1	2	112.9	K542 E543 P544 M548 D560 L563	K542-R546 WeakPolarHBondContact O-CG 3.15Å; K542-R546 PolarHBondContact O-N 2.66Å; K542-R546 VanDerWaalsContact O-N 3.12Å; E543-R546 PolarHBondContact O-N 3Å; P544-R546 VanDerWaalsContact C-N 3.27Å; P544-R546 PolarHBondContact O-N 2.77Å; R546-M548 VanDerWaalsContact C-N 3.29Å; R546-M548 PolarHBondContact O-N 3.37Å; R546-D560 IonicContact CZ-OD1 3.51Å; R546-D560 IonicContact NE-OD1 3.29Å; R546-D560 IonicContact NH2-OD1 2.83Å; R546-D560 PolarHBondContact NH2-OD1 3.03Å; R546-D560 IonicContact NH2-OD2 2.67Å; R546-D560 PolarHBondContact NH2-OD2 3.34Å; R546-L563 HydrophobicContact CG-CD1 3.77Å
547	R	97	Very high	96.2	Very high	91 Å²	91	46.1 Å²	46.1	34%	0.343	23%	0.232	S	C	.	.	H	α-helix	trans	-70.2	-26.4	178.8	-64.2	174.3	179	-142	7.7	112.6	G395 I399 E402 E543 P544 L545	G395-R547 WeakPolarHBondContact CA-O 3.32Å; I399-R547 HydrophobicContact CD1-CB 4.5Å; E402-R547 IonicContact OE1-NH2 3.58Å; E402-R547 IonicContact OE2-CZ 3.8Å; E402-R547 IonicContact OE2-NH1 3.3Å; E402-R547 PolarHBondContact OE2-NH1 3.39Å; E402-R547 IonicContact OE2-NH2 3.43Å; E543-R547 WeakPolarHBondContact O-CG 3.45Å; E543-R547 PolarHBondContact O-N 3.45Å; E543-R547 IonicContact OE1-CZ 2.92Å; E543-R547 IonicContact OE1-NE 3.72Å; E543-R547 PolarHBondContact OE1-NE 3.43Å; E543-R547 IonicContact OE1-NH2 2.65Å; E543-R547 PolarHBondContact OE1-NH2 2.8Å; P544-R547 WeakPolarHBondContact O-CA 3.4Å; P544-R547 WeakPolarHBondContact O-CB 3.42Å; P544-R547 PolarHBondContact O-N 3.41Å; L545-R547 VanDerWaalsContact C-N 3.34Å; L545-R547 PolarHBondContact O-N 2.76Å
548	M	96.4	Very high	96.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	13	-177.7	70.3	-176.9	80.7	0	0	113.8	F387 I399 V495 F499 V539 P544 L545 R546	F387-M548 WeakPolarHBondContact CD1-O 3.43Å; F387-M548 HydrophobicContact CE1-CG 4.19Å; I399-M548 HydrophobicContact CD1-CE 3.77Å; V495-M548 HydrophobicContact CG1-SD 3.57Å; V495-M548 VanDerWaalsContact CG1-SD 3.57Å; F499-M548 HydrophobicContact CE1-CE 4.26Å; F499-M548 HydrophobicContact CE2-CE 3.56Å; F499-M548 HydrophobicContact CE2-SD 3.72Å; F499-M548 HydrophobicContact CZ-CE 3.36Å; F499-M548 HydrophobicContact CZ-SD 4.16Å; V539-M548 HydrophobicContact CG1-CE 4.32Å; V539-M548 HydrophobicContact CG1-SD 4.18Å; P544-M548 VanDerWaalsContact C-CE 3.43Å; P544-M548 HydrophobicContact CB-CE 3.72Å; P544-M548 VanDerWaalsContact O-CE 3.23Å; P544-M548 WeakPolarHBondContact O-CE 3.37Å; P544-M548 WeakPolarHBondContact O-CG 3.48Å; P544-M548 PolarHBondContact O-N 3.43Å; P544-M548 VanDerWaalsContact O-N 3.11Å; L545-M548 HydrophobicContact CD2-SD 4.19Å; L545-M548 WeakPolarHBondContact O-CG 3.06Å; L545-M548 PolarHBondContact O-N 3.25Å; R546-M548 VanDerWaalsContact C-N 3.29Å; R546-M548 PolarHBondContact O-N 3.37Å
549	S	96.8	Very high	96	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.063	25%	0.253	C	S	.	.			trans	-133.5	141.7	-178.8	60.3	0	0	0	0	113.7	Y386 L545 V558	Y386-S549 CarbonylContact O-C 3.17Å; Y386-S549 WeakPolarHBondContact O-CA 3.48Å; Y386-S549 VanDerWaalsContact O-CB 3.28Å; Y386-S549 WeakPolarHBondContact O-CB 3.38Å; L545-S549 VanDerWaalsContact O-CB 3.29Å; L545-S549 WeakPolarHBondContact O-CB 3.46Å; L545-S549 PolarHBondContact O-N 3.16Å; L545-S549 PolarHBondContact O-OG 3.42Å; S549-V558 WeakPolarHBondContact OG-CG1 3.25Å
550	S	97.4	Very high	95.9	Very high	29 Å²	29	52.6 Å²	52.6	20%	0.203	27%	0.27	C	S	.	.			trans	-165.7	135.6	173.9	-177.2	0	0	0	0	108.4	Y386 P388 Y552 G555	Y386-S550 CarbonylContact C-O 3.46Å; Y386-S550 WeakPolarHBondContact CA-O 3.36Å; Y386-S550 PolarHBondContact O-N 3.07Å; P388-S550 WeakPolarHBondContact CD-O 3.21Å; P388-S550 WeakPolarHBondContact CG-O 3.42Å; S550-Y552 PolarHBondContact O-N 3.4Å; S550-G555 VanDerWaalsContact OG-C 3.24Å; S550-G555 VanDerWaalsContact OG-CA 3.24Å; S550-G555 WeakPolarHBondContact OG-CA 3.39Å; S550-G555 PolarHBondContact OG-O 3.28Å
551	H	97	Very high	95.7	Very high	20 Å²	20	55.9 Å²	55.9	9%	0.093	29%	0.29	C	S	.	.			trans	-63.8	129.9	-178.1	-176.2	-112.2	0	0	0	111.3	E385 Y386 K553 D554 G555 T556	E385-H551 WeakPolarHBondContact O-CA 3.49Å; E385-H551 IonicContact OE2-NE2 2.91Å; Y386-H551 HydrophobicContact CD1-CB 3.76Å; Y386-H551 HydrophobicContact CE1-CB 3.59Å; H551-K553 PolarHBondContact O-N 2.83Å; H551-D554 VanDerWaalsContact CB-OD1 3.27Å; H551-D554 WeakPolarHBondContact CB-OD1 3.1Å; H551-D554 IonicContact CE1-OD1 3.13Å; H551-D554 IonicContact CE1-OD2 3.47Å; H551-D554 IonicContact CG-OD1 2.71Å; H551-D554 IonicContact ND1-OD1 3.39Å; H551-D554 PolarHBondContact ND1-OD1 2.78Å; H551-D554 IonicContact ND1-OD2 3.61Å; H551-D554 PolarHBondContact ND1-OD2 3.33Å; H551-G555 VanDerWaalsContact O-CA 3.31Å; H551-G555 WeakPolarHBondContact O-CA 3.24Å; H551-G555 PolarHBondContact O-N 3.46Å; H551-T556 WeakPolarHBondContact CB-O 3.31Å; H551-T556 WeakPolarHBondContact CB-OG1 3.25Å; H551-T556 PolarHBondContact N-O 3.21Å
552	Y	94.7	Very high	95.4	Very high	38 Å²	38	55.5 Å²	55.5	15%	0.149	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.4	-168.6	80.6	-82	0	0	0	115.8	E385 W486 P487 L489 S550	E385-Y552 HydrophobicContact CB-CD1 3.93Å; E385-Y552 HydrophobicContact CB-CE1 4.03Å; E385-Y552 HydrophobicContact CG-CE1 4.13Å; E385-Y552 WeakPolarHBondContact O-CD1 3.37Å; E385-Y552 PolarHBondContact O-N 2.95Å; W486-Y552 HydrophobicContact CD2-CE2 4.3Å; W486-Y552 AromaticContact CD2-CZ 3.98Å; W486-Y552 AromaticContact CE3-CE1 3.88Å; W486-Y552 HydrophobicContact CE3-CE1 3.88Å; W486-Y552 HydrophobicContact CE3-CE2 4.02Å; W486-Y552 AromaticContact CE3-CZ 3.53Å; W486-Y552 AromaticContact CH2-CE1 3.99Å; W486-Y552 HydrophobicContact CH2-CE1 3.99Å; W486-Y552 AromaticContact CH2-CZ 3.84Å; W486-Y552 WeakPolarHBondContact CH2-OH 3.3Å; W486-Y552 VanDerWaalsContact CZ2-OH 3.22Å; W486-Y552 WeakPolarHBondContact CZ2-OH 3.49Å; W486-Y552 HydrophobicContact CZ3-CD1 4.36Å; W486-Y552 AromaticContact CZ3-CE1 3.46Å; W486-Y552 HydrophobicContact CZ3-CE1 3.46Å; W486-Y552 VanDerWaalsContact CZ3-CE1 3.46Å; W486-Y552 HydrophobicContact CZ3-CE2 4.39Å; W486-Y552 AromaticContact CZ3-CZ 3.46Å; W486-Y552 VanDerWaalsContact CZ3-CZ 3.46Å; W486-Y552 VanDerWaalsContact CZ3-OH 3.23Å; W486-Y552 WeakPolarHBondContact CZ3-OH 3.4Å; P487-Y552 VanDerWaalsContact CD-CD2 3.45Å; P487-Y552 HydrophobicContact CG-CD2 3.92Å; P487-Y552 HydrophobicContact CG-CG 4.23Å; L489-Y552 HydrophobicContact CD1-CD1 4.32Å; L489-Y552 HydrophobicContact CD2-CG 4.26Å; S550-Y552 PolarHBondContact O-N 3.4Å
553	K	93.6	Very high	95.3	Very high	149 Å²	149	52.5 Å²	52.5	65%	0.648	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-48.8	-179	-73.1	176.2	165.2	153.1	0	113.9	H551	H551-K553 PolarHBondContact O-N 2.83Å
554	D	95.8	Very high	95.1	Very high	98 Å²	98	52 Å²	52	52%	0.524	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-2.2	-168.2	58.3	25.4	0	0	0	113	H551 T556	H551-D554 VanDerWaalsContact CB-OD1 3.27Å; H551-D554 WeakPolarHBondContact CB-OD1 3.1Å; H551-D554 IonicContact CE1-OD1 3.13Å; H551-D554 IonicContact CE1-OD2 3.47Å; H551-D554 IonicContact CG-OD1 2.71Å; H551-D554 IonicContact ND1-OD1 3.39Å; H551-D554 PolarHBondContact ND1-OD1 2.78Å; H551-D554 IonicContact ND1-OD2 3.61Å; H551-D554 PolarHBondContact ND1-OD2 3.33Å; D554-T556 HydrophobicContact CB-CG2 4.35Å; D554-T556 PolarHBondContact O-N 3.23Å; D554-T556 WeakPolarHBondContact OD1-CB 3.48Å; D554-T556 WeakPolarHBondContact OD1-CG2 3.3Å; D554-T556 PolarHBondContact OD1-N 3.49Å; D554-T556 PolarHBondContact OD1-OG1 2.85Å
555	G	96.2	Very high	94.8	Very high	44 Å²	44	55.3 Å²	55.3	45%	0.454	29%	0.29	S	S	.	.			trans	71.3	5.5	178.9	0	0	0	0	0	114.5	S550 H551	S550-G555 VanDerWaalsContact OG-C 3.24Å; S550-G555 VanDerWaalsContact OG-CA 3.24Å; S550-G555 WeakPolarHBondContact OG-CA 3.39Å; S550-G555 PolarHBondContact OG-O 3.28Å; H551-G555 VanDerWaalsContact O-CA 3.31Å; H551-G555 WeakPolarHBondContact O-CA 3.24Å; H551-G555 PolarHBondContact O-N 3.46Å
556	T	97.4	Very high	94.5	Very high	58 Å²	58	55.6 Å²	55.6	36%	0.356	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-64.5	145.4	-177.5	56.8	0	0	0	0	111.6	H551 D554	H551-T556 WeakPolarHBondContact CB-O 3.31Å; H551-T556 WeakPolarHBondContact CB-OG1 3.25Å; H551-T556 PolarHBondContact N-O 3.21Å; D554-T556 HydrophobicContact CB-CG2 4.35Å; D554-T556 PolarHBondContact O-N 3.23Å; D554-T556 WeakPolarHBondContact OD1-CB 3.48Å; D554-T556 WeakPolarHBondContact OD1-CG2 3.3Å; D554-T556 PolarHBondContact OD1-N 3.49Å; D554-T556 PolarHBondContact OD1-OG1 2.85Å
557	P	96.3	Very high	94.3	Very high	98 Å²	98	51.8 Å²	51.8	64%	0.636	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-69.3	154.2	177.7	29.9	-35.1	0	0	0	110.7	Y386	Y386-P557 WeakPolarHBondContact CE1-O 3.3Å
558	V	94.6	Very high	93.9	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.03	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-58.7	131.7	171.6	59.3	0	0	0	0	110.7	L383 Y386 S549 L562 L563	L383-V558 HydrophobicContact CD1-CG2 4.41Å; Y386-V558 HydrophobicContact CD1-CB 3.79Å; Y386-V558 HydrophobicContact CD1-CG2 4.44Å; Y386-V558 HydrophobicContact CD2-CG2 4.45Å; Y386-V558 HydrophobicContact CE1-CB 4.28Å; Y386-V558 HydrophobicContact CG-CB 3.99Å; Y386-V558 HydrophobicContact CG-CG2 4.25Å; S549-V558 WeakPolarHBondContact OG-CG1 3.25Å; V558-L562 HydrophobicContact CG2-CB 4.26Å; V558-L562 HydrophobicContact CG2-CD2 4.06Å; V558-L562 HydrophobicContact CG2-CG 4.31Å; V558-L563 HydrophobicContact CB-CD2 4.48Å; V558-L563 HydrophobicContact CB-CG 4.35Å; V558-L563 HydrophobicContact CG1-CD1 3.53Å; V558-L563 HydrophobicContact CG1-CD2 3.63Å; V558-L563 HydrophobicContact CG1-CG 3.49Å; V558-L563 VanDerWaalsContact CG1-CG 3.49Å; V558-L563 HydrophobicContact CG2-CD2 4.06Å; V558-L563 HydrophobicContact CG2-CG 3.96Å
559	P	94.5	Very high	93.5	Very high	62 Å²	62	50.7 Å²	50.7	40%	0.403	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.4	142.1	178.4	-25.4	34.5	0	0	0	112.6	D561 L562 L563	P559-D561 VanDerWaalsContact C-N 3.32Å; P559-D561 PolarHBondContact O-N 2.9Å; P559-L562 HydrophobicContact CB-CB 4.45Å; P559-L562 WeakPolarHBondContact O-CB 3.44Å; P559-L562 PolarHBondContact O-N 3.18Å; P559-L563 PolarHBondContact O-N 3.25Å; P559-L563 VanDerWaalsContact O-N 3.12Å
560	D	93.1	Very high	93.1	Very high	68 Å²	68	51.8 Å²	51.8	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-40.4	-178.1	-84.5	-24.8	0	0	0	113.5	K542 R546 L562 L563 D564	K542-D560 WeakPolarHBondContact CE-OD1 3.46Å; K542-D560 IonicContact NZ-OD1 2.89Å; K542-D560 PolarHBondContact NZ-OD1 3.47Å; R546-D560 IonicContact CZ-OD1 3.51Å; R546-D560 IonicContact NE-OD1 3.29Å; R546-D560 IonicContact NH2-OD1 2.83Å; R546-D560 PolarHBondContact NH2-OD1 3.03Å; R546-D560 IonicContact NH2-OD2 2.67Å; R546-D560 PolarHBondContact NH2-OD2 3.34Å; D560-L562 PolarHBondContact O-N 3.33Å; D560-L563 PolarHBondContact O-N 2.97Å; D560-D564 WeakPolarHBondContact O-CB 3.49Å; D560-D564 PolarHBondContact O-N 3.46Å
561	D	91.6	Very high	92.6	Very high	98 Å²	98	53 Å²	53	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-59.4	-35.3	175.6	172.6	73	0	0	0	112.3	P559 K565	P559-D561 VanDerWaalsContact C-N 3.32Å; P559-D561 PolarHBondContact O-N 2.9Å; D561-K565 VanDerWaalsContact CG-NZ 3.31Å; D561-K565 WeakPolarHBondContact O-CB 3.29Å; D561-K565 WeakPolarHBondContact O-CD 3.4Å; D561-K565 VanDerWaalsContact O-CG 3.24Å; D561-K565 WeakPolarHBondContact O-CG 3.39Å; D561-K565 PolarHBondContact O-N 2.72Å; D561-K565 VanDerWaalsContact O-N 3.11Å; D561-K565 WeakPolarHBondContact OD1-CE 3.44Å; D561-K565 IonicContact OD1-NZ 2.8Å; D561-K565 PolarHBondContact OD1-NZ 3.36Å; D561-K565 VanDerWaalsContact OD1-NZ 3.15Å; D561-K565 WeakPolarHBondContact OD2-CE 3.43Å; D561-K565 IonicContact OD2-NZ 2.73Å; D561-K565 PolarHBondContact OD2-NZ 2.59Å
562	L	90.4	Very high	92	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-40.2	178.4	-174.2	58.8	0	0	0	111.5	L383 Y386 V558 P559 D560 L566	L383-L562 HydrophobicContact CB-CD2 4.33Å; L383-L562 HydrophobicContact CD1-CD2 3.97Å; L383-L562 HydrophobicContact CD1-CG 4.07Å; Y386-L562 HydrophobicContact CE2-CD2 4.4Å; V558-L562 HydrophobicContact CG2-CB 4.26Å; V558-L562 HydrophobicContact CG2-CD2 4.06Å; V558-L562 HydrophobicContact CG2-CG 4.31Å; P559-L562 HydrophobicContact CB-CB 4.45Å; P559-L562 WeakPolarHBondContact O-CB 3.44Å; P559-L562 PolarHBondContact O-N 3.18Å; D560-L562 PolarHBondContact O-N 3.33Å; L562-L566 WeakPolarHBondContact O-CB 3.49Å; L562-L566 PolarHBondContact O-N 3.33Å
563	L	91.9	Very high	91.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-46.8	172.7	-76.6	-176.5	0	0	0	112	K542 L545 R546 V558 P559 D560 K565 L566 I567	K542-L563 HydrophobicContact CG-CD1 4.02Å; L545-L563 HydrophobicContact CB-CD2 3.77Å; L545-L563 HydrophobicContact CD1-CD2 3.95Å; L545-L563 HydrophobicContact CG-CD2 4.37Å; R546-L563 HydrophobicContact CG-CD1 3.77Å; V558-L563 HydrophobicContact CB-CD2 4.48Å; V558-L563 HydrophobicContact CB-CG 4.35Å; V558-L563 HydrophobicContact CG1-CD1 3.53Å; V558-L563 HydrophobicContact CG1-CD2 3.63Å; V558-L563 HydrophobicContact CG1-CG 3.49Å; V558-L563 VanDerWaalsContact CG1-CG 3.49Å; V558-L563 HydrophobicContact CG2-CD2 4.06Å; V558-L563 HydrophobicContact CG2-CG 3.96Å; P559-L563 PolarHBondContact O-N 3.25Å; P559-L563 VanDerWaalsContact O-N 3.12Å; D560-L563 PolarHBondContact O-N 2.97Å; L563-K565 VanDerWaalsContact C-N 3.29Å; L563-K565 PolarHBondContact O-N 3.36Å; L563-L566 WeakPolarHBondContact O-CB 3.42Å; L563-L566 PolarHBondContact O-N 3.16Å; L563-L566 VanDerWaalsContact O-N 3.16Å; L563-I567 VanDerWaalsContact O-CG1 3.27Å; L563-I567 WeakPolarHBondContact O-CG1 3.38Å; L563-I567 PolarHBondContact O-N 3.05Å
564	D	92	Very high	91.6	Very high	76 Å²	76	44.1 Å²	44.1	41%	0.406	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-38.6	-177.5	-66.2	-21.3	0	0	0	110.6	K542 D560 A568	K542-D564 IonicContact NZ-OD1 2.86Å; K542-D564 PolarHBondContact NZ-OD1 3.29Å; K542-D564 IonicContact NZ-OD2 2.73Å; K542-D564 PolarHBondContact NZ-OD2 2.97Å; D560-D564 WeakPolarHBondContact O-CB 3.49Å; D560-D564 PolarHBondContact O-N 3.46Å; D564-A568 WeakPolarHBondContact O-CB 3.46Å; D564-A568 PolarHBondContact O-N 2.94Å
565	K	91.1	Very high	91.5	Very high	69 Å²	69	39.5 Å²	39.5	30%	0.3	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-42.6	172.4	-74.4	170.7	-179	161.5	0	113	V378 D561 L563 A568 S569	V378-K565 HydrophobicContact CG2-CB 3.88Å; V378-K565 WeakPolarHBondContact CG2-O 3.26Å; D561-K565 VanDerWaalsContact CG-NZ 3.31Å; D561-K565 WeakPolarHBondContact O-CB 3.29Å; D561-K565 WeakPolarHBondContact O-CD 3.4Å; D561-K565 VanDerWaalsContact O-CG 3.24Å; D561-K565 WeakPolarHBondContact O-CG 3.39Å; D561-K565 PolarHBondContact O-N 2.72Å; D561-K565 VanDerWaalsContact O-N 3.11Å; D561-K565 WeakPolarHBondContact OD1-CE 3.44Å; D561-K565 IonicContact OD1-NZ 2.8Å; D561-K565 PolarHBondContact OD1-NZ 3.36Å; D561-K565 VanDerWaalsContact OD1-NZ 3.15Å; D561-K565 WeakPolarHBondContact OD2-CE 3.43Å; D561-K565 IonicContact OD2-NZ 2.73Å; D561-K565 PolarHBondContact OD2-NZ 2.59Å; L563-K565 VanDerWaalsContact C-N 3.29Å; L563-K565 PolarHBondContact O-N 3.36Å; K565-A568 PolarHBondContact O-N 3.18Å; K565-S569 WeakPolarHBondContact O-CB 3.34Å; K565-S569 PolarHBondContact O-N 2.89Å
566	L	90.7	Very high	91.4	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-52	176.2	173.4	62.9	0	0	0	110.5	L383 H492 W540 L545 L562 L563 A568 S569	L383-L566 HydrophobicContact CD1-CD2 4.27Å; L383-L566 HydrophobicContact CD2-CD1 3.8Å; L383-L566 HydrophobicContact CD2-CD2 3.9Å; L383-L566 HydrophobicContact CD2-CG 4.32Å; H492-L566 HydrophobicContact CB-CD1 4.31Å; W540-L566 HydrophobicContact CZ3-CD1 4.45Å; L545-L566 HydrophobicContact CD1-CD2 4.14Å; L545-L566 HydrophobicContact CD2-CD2 4.29Å; L562-L566 WeakPolarHBondContact O-CB 3.49Å; L562-L566 PolarHBondContact O-N 3.33Å; L563-L566 WeakPolarHBondContact O-CB 3.42Å; L563-L566 PolarHBondContact O-N 3.16Å; L563-L566 VanDerWaalsContact O-N 3.16Å; L566-A568 PolarHBondContact O-N 3.47Å; L566-S569 WeakPolarHBondContact O-CB 3.39Å; L566-S569 PolarHBondContact O-N 3.36Å; L566-S569 VanDerWaalsContact O-N 3.07Å; L566-S569 PolarHBondContact O-OG 2.77Å
567	I	91.6	Very high	91.2	Very high	47 Å²	47	39.4 Å²	39.4	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-45.2	179.9	-64.6	166.9	0	0	0	110.4	W540 K542 L545 L563 S569 R570	W540-I567 WeakPolarHBondContact O-CG2 3.19Å; K542-I567 HydrophobicContact CB-CD1 3.92Å; L545-I567 HydrophobicContact CD1-CD1 4.13Å; L545-I567 HydrophobicContact CD1-CG1 3.91Å; L563-I567 VanDerWaalsContact O-CG1 3.27Å; L563-I567 WeakPolarHBondContact O-CG1 3.38Å; L563-I567 PolarHBondContact O-N 3.05Å; I567-S569 PolarHBondContact O-N 3.05Å; I567-R570 VanDerWaalsContact O-CB 3.24Å; I567-R570 WeakPolarHBondContact O-CB 3.4Å; I567-R570 PolarHBondContact O-N 3.47Å; I567-R570 VanDerWaalsContact O-N 3.13Å
568	A	89	Confident	91.1	Very high	47 Å²	47	35.2 Å²	35.2	39%	0.388	20%	0.195	S	C	.	.	H	α-helix	trans	-60.4	-31.5	176.9	0	0	0	0	0	112.4	F376 D564 K565 L566 R570 V571	F376-A568 HydrophobicContact CD1-CB 3.95Å; F376-A568 WeakPolarHBondContact CD1-O 3.45Å; F376-A568 HydrophobicContact CE1-CB 4.23Å; F376-A568 WeakPolarHBondContact CE1-O 3.21Å; D564-A568 WeakPolarHBondContact O-CB 3.46Å; D564-A568 PolarHBondContact O-N 2.94Å; K565-A568 PolarHBondContact O-N 3.18Å; L566-A568 PolarHBondContact O-N 3.47Å; A568-R570 PolarHBondContact O-N 3.39Å; A568-V571 WeakPolarHBondContact O-CG2 3.44Å
569	S	88.6	Confident	91.2	Very high	22 Å²	22	35 Å²	35	15%	0.154	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-14.5	179.4	79.1	0	0	0	0	114.3	K565 L566 I567 V571 A572	K565-S569 WeakPolarHBondContact O-CB 3.34Å; K565-S569 PolarHBondContact O-N 2.89Å; L566-S569 WeakPolarHBondContact O-CB 3.39Å; L566-S569 PolarHBondContact O-N 3.36Å; L566-S569 VanDerWaalsContact O-N 3.07Å; L566-S569 PolarHBondContact O-OG 2.77Å; I567-S569 PolarHBondContact O-N 3.05Å; S569-V571 PolarHBondContact O-N 3.29Å; S569-V571 VanDerWaalsContact O-N 3.13Å; S569-A572 WeakPolarHBondContact O-CB 3.42Å; S569-A572 PolarHBondContact O-N 2.6Å
570	R	87.7	Confident	91.3	Very high	32 Å²	32	36.7 Å²	36.7	12%	0.121	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.5	178.5	-165.9	179.5	-167.2	-167.5	-4.8	113.5	N537 W540 I567 A568 A572 T574	N537-R570 PolarHBondContact OD1-NH1 2.71Å; N537-R570 PolarHBondContact OD1-NH2 3.36Å; W540-R570 VanDerWaalsContact CD1-CZ 3.4Å; W540-R570 HydrophobicContact CD2-CB 4.01Å; W540-R570 VanDerWaalsContact CD2-CD 3.45Å; W540-R570 HydrophobicContact CD2-CG 3.58Å; W540-R570 HydrophobicContact CE3-CB 3.49Å; W540-R570 VanDerWaalsContact CE3-CB 3.49Å; W540-R570 HydrophobicContact CE3-CG 3.63Å; W540-R570 VanDerWaalsContact CG-CD 3.42Å; W540-R570 HydrophobicContact CG-CG 4.12Å; W540-R570 HydrophobicContact CH2-CB 4.1Å; W540-R570 HydrophobicContact CH2-CG 4.08Å; W540-R570 HydrophobicContact CZ2-CG 4.05Å; W540-R570 HydrophobicContact CZ3-CB 3.54Å; W540-R570 HydrophobicContact CZ3-CG 3.88Å; I567-R570 VanDerWaalsContact O-CB 3.24Å; I567-R570 WeakPolarHBondContact O-CB 3.4Å; I567-R570 PolarHBondContact O-N 3.47Å; I567-R570 VanDerWaalsContact O-N 3.13Å; A568-R570 PolarHBondContact O-N 3.39Å; R570-A572 VanDerWaalsContact C-N 3.31Å; R570-T574 VanDerWaalsContact O-CG2 3.3Å; R570-T574 WeakPolarHBondContact O-CG2 3.27Å
571	V	86.1	Confident	91.5	Very high	55 Å²	55	36.2 Å²	36.2	33%	0.333	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.5	-178	-54.1	0	0	0	0	113	F376 A568 S569 N573 T574 K702	F376-V571 HydrophobicContact CZ-CG2 4.32Å; A568-V571 WeakPolarHBondContact O-CG2 3.44Å; S569-V571 PolarHBondContact O-N 3.29Å; S569-V571 VanDerWaalsContact O-N 3.13Å; V571-N573 PolarHBondContact O-N 2.89Å; V571-T574 PolarHBondContact O-OG1 3.24Å; V571-K702 WeakPolarHBondContact CG1-O 3.42Å
572	A	85.6	Confident	91.8	Very high	8 Å²	8	31.5 Å²	31.5	7%	0.066	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	125.8	178.2	0	0	0	0	0	111	E372 F376 S569 R570 T574	E372-A572 HydrophobicContact CG-CB 3.68Å; F376-A572 HydrophobicContact CD2-CB 3.93Å; F376-A572 HydrophobicContact CE2-CB 3.34Å; F376-A572 HydrophobicContact CZ-CB 4.05Å; S569-A572 WeakPolarHBondContact O-CB 3.42Å; S569-A572 PolarHBondContact O-N 2.6Å; R570-A572 VanDerWaalsContact C-N 3.31Å; A572-T574 PolarHBondContact O-N 3.09Å
573	N	89.5	Confident	92.2	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.027	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	16.7	174.7	-45.9	-61.9	0	0	0	114.9	M368 V371 V571 G575 L576 M577	M368-N573 HydrophobicContact CB-CB 4.41Å; M368-N573 HydrophobicContact CE-CB 3.49Å; M368-N573 VanDerWaalsContact CE-CB 3.49Å; M368-N573 HydrophobicContact CG-CB 4.1Å; M368-N573 PolarHBondContact O-ND2 3.24Å; V371-N573 WeakPolarHBondContact CB-OD1 3.39Å; V371-N573 WeakPolarHBondContact CG1-OD1 3.41Å; V571-N573 PolarHBondContact O-N 2.89Å; N573-G575 PolarHBondContact O-N 3.46Å; N573-L576 PolarHBondContact O-N 2.87Å; N573-M577 HydrophobicContact CB-CG 4.45Å; N573-M577 WeakPolarHBondContact O-CB 3.41Å; N573-M577 WeakPolarHBondContact O-CG 3.39Å; N573-M577 PolarHBondContact O-N 3.28Å
574	T	89.4	Confident	92.5	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.043	16%	0.158	C	C	.	.	H	α-helix	trans	-61.6	-29.9	-175.9	48.7	0	0	0	0	111.7	R570 V571 A572 N578 K702 L704	R570-T574 VanDerWaalsContact O-CG2 3.3Å; R570-T574 WeakPolarHBondContact O-CG2 3.27Å; V571-T574 PolarHBondContact O-OG1 3.24Å; A572-T574 PolarHBondContact O-N 3.09Å; T574-N578 VanDerWaalsContact O-CB 3.3Å; T574-N578 WeakPolarHBondContact O-CB 3.49Å; T574-N578 PolarHBondContact O-N 3.22Å; T574-N578 VanDerWaalsContact O-N 3.11Å; T574-N578 PolarHBondContact O-ND2 3.34Å; T574-K702 HydrophobicContact CG2-CD 4.09Å; T574-L704 WeakPolarHBondContact OG1-CD2 3.39Å
575	G	93.3	Very high	92.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-59.2	174.2	0	0	0	0	0	112.3	E336 N573 N578 L579	E336-G575 PolarHBondContact OE1-N 2.87Å; E336-G575 VanDerWaalsContact OE1-N 3.16Å; E336-G575 WeakPolarHBondContact OE2-CA 3.27Å; E336-G575 PolarHBondContact OE2-N 3.43Å; N573-G575 PolarHBondContact O-N 3.46Å; G575-N578 PolarHBondContact O-N 2.94Å; G575-L579 WeakPolarHBondContact O-CB 3.43Å; G575-L579 VanDerWaalsContact O-CG 3.29Å; G575-L579 WeakPolarHBondContact O-CG 3.5Å; G575-L579 PolarHBondContact O-N 3.5Å
576	L	94.9	Very high	93.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-69.8	-34.3	-177.1	-68.9	170.7	0	0	0	113.4	E336 R337 I340 L364 N573 L579 R580 L611	E336-L576 HydrophobicContact CB-CD1 3.69Å; E336-L576 HydrophobicContact CB-CG 3.93Å; E336-L576 WeakPolarHBondContact OE2-CG 3.46Å; E336-L576 PolarHBondContact OE2-N 2.88Å; R337-L576 HydrophobicContact CG-CD1 4.15Å; R337-L576 HydrophobicContact CG-CD2 3.67Å; I340-L576 HydrophobicContact CD1-CD1 3.59Å; L364-L576 HydrophobicContact CD1-CD1 4.06Å; N573-L576 PolarHBondContact O-N 2.87Å; L576-L579 HydrophobicContact CD2-CD1 4.35Å; L576-R580 WeakPolarHBondContact O-CB 3.42Å; L576-R580 PolarHBondContact O-N 2.98Å; L576-L611 HydrophobicContact CB-CD1 4.46Å; L576-L611 HydrophobicContact CD2-CD1 3.9Å
577	M	93.3	Very high	93.4	Very high	100 Å²	100	25.1 Å²	25.1	49%	0.493	13%	0.13	S	C	.	.	H	α-helix	trans	-60.7	-47.8	173.6	-72.6	-176.3	67.7	0	0	111.3	M368 N573 R580 Q581	M368-M577 HydrophobicContact CE-CG 3.21Å; M368-M577 HydrophobicContact CE-SD 3.94Å; N573-M577 HydrophobicContact CB-CG 4.45Å; N573-M577 WeakPolarHBondContact O-CB 3.41Å; N573-M577 WeakPolarHBondContact O-CG 3.39Å; N573-M577 PolarHBondContact O-N 3.28Å; M577-R580 WeakPolarHBondContact O-CB 3.34Å; M577-R580 PolarHBondContact O-N 2.88Å; M577-Q581 PolarHBondContact O-N 3.22Å
578	N	94.4	Very high	93.8	Very high	10 Å²	10	23 Å²	23	5%	0.053	12%	0.119	C	C	.	.	H	α-helix	trans	-74	-35	-179.5	-72.5	-60.1	0	0	0	112.5	F325 L329 T574 G575 R580 Q581 V582	F325-N578 HydrophobicContact CE1-CB 4.12Å; F325-N578 HydrophobicContact CZ-CB 4.41Å; L329-N578 HydrophobicContact CD1-CB 3.47Å; L329-N578 VanDerWaalsContact CD1-CB 3.47Å; L329-N578 HydrophobicContact CD2-CB 4.34Å; T574-N578 VanDerWaalsContact O-CB 3.3Å; T574-N578 WeakPolarHBondContact O-CB 3.49Å; T574-N578 PolarHBondContact O-N 3.22Å; T574-N578 VanDerWaalsContact O-N 3.11Å; T574-N578 PolarHBondContact O-ND2 3.34Å; G575-N578 PolarHBondContact O-N 2.94Å; N578-R580 PolarHBondContact O-N 2.84Å; N578-Q581 WeakPolarHBondContact O-CB 3.34Å; N578-Q581 PolarHBondContact O-N 2.93Å; N578-V582 WeakPolarHBondContact O-CG2 3.13Å; N578-V582 PolarHBondContact O-N 3.31Å
579	L	97.1	Very high	94.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-34.5	170.6	-75.6	173.1	0	0	0	112	Y326 L329 G575 L576 V582 V583 I610 L611	Y326-L579 HydrophobicContact CD2-CD2 3.6Å; Y326-L579 HydrophobicContact CE2-CD2 3.94Å; L329-L579 HydrophobicContact CB-CD2 3.73Å; L329-L579 HydrophobicContact CB-CG 4.04Å; L329-L579 HydrophobicContact CD1-CD2 4.3Å; L329-L579 HydrophobicContact CD1-CG 4.34Å; G575-L579 WeakPolarHBondContact O-CB 3.43Å; G575-L579 VanDerWaalsContact O-CG 3.29Å; G575-L579 WeakPolarHBondContact O-CG 3.5Å; G575-L579 PolarHBondContact O-N 3.5Å; L576-L579 HydrophobicContact CD2-CD1 4.35Å; L579-V582 WeakPolarHBondContact O-CB 3.43Å; L579-V582 PolarHBondContact O-N 3.1Å; L579-V583 WeakPolarHBondContact O-CG2 3.49Å; L579-V583 PolarHBondContact O-N 3.24Å; L579-I610 HydrophobicContact CB-CG2 4.41Å; L579-I610 HydrophobicContact CD2-CG2 3.92Å; L579-L611 HydrophobicContact CB-CD1 4.03Å
580	R	96.9	Very high	94.6	Very high	98 Å²	98	22.3 Å²	22.3	37%	0.37	11%	0.11	S	C	.	.	H	α-helix	trans	-65.3	-41.3	172	-171.8	-178.7	176.9	-76.1	-3.9	111.5	L576 M577 N578 V582 V583 L584 L611	L576-R580 WeakPolarHBondContact O-CB 3.42Å; L576-R580 PolarHBondContact O-N 2.98Å; M577-R580 WeakPolarHBondContact O-CB 3.34Å; M577-R580 PolarHBondContact O-N 2.88Å; N578-R580 PolarHBondContact O-N 2.84Å; R580-V582 VanDerWaalsContact C-N 3.3Å; R580-V582 PolarHBondContact O-N 3.34Å; R580-V583 WeakPolarHBondContact O-CB 3.41Å; R580-V583 PolarHBondContact O-N 2.93Å; R580-L584 WeakPolarHBondContact O-CG 3.42Å; R580-L584 PolarHBondContact O-N 3.44Å; R580-L584 VanDerWaalsContact O-N 3.09Å; R580-L611 HydrophobicContact CB-CD1 4.37Å
581	Q	95.9	Very high	95.1	Very high	57 Å²	57	20.8 Å²	20.8	27%	0.266	10%	0.104	S	C	.	.	H	α-helix	trans	-64	-36.2	174.5	-63.6	-61.1	-9.1	0	0	112.3	M577 N578 L584 S585 Y636	M577-Q581 PolarHBondContact O-N 3.22Å; N578-Q581 WeakPolarHBondContact O-CB 3.34Å; N578-Q581 PolarHBondContact O-N 2.93Å; Q581-L584 PolarHBondContact O-N 3.48Å; Q581-S585 WeakPolarHBondContact O-CB 3.42Å; Q581-S585 PolarHBondContact O-N 3.35Å; Q581-S585 PolarHBondContact O-OG 3.5Å; Q581-Y636 VanDerWaalsContact OE1-CE1 3.24Å; Q581-Y636 PolarHBondContact OE1-OH 3.4Å
582	V	97.8	Very high	95.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.2	-45.9	171.5	171.2	0	0	0	0	110.9	I322 F325 Y326 L329 N578 L579 R580 L584 S585 K586 I610 L640	I322-V582 HydrophobicContact CG2-CB 4.45Å; I322-V582 HydrophobicContact CG2-CG1 3.68Å; I322-V582 HydrophobicContact CG2-CG2 4.45Å; F325-V582 HydrophobicContact CD1-CG2 3.73Å; F325-V582 HydrophobicContact CE1-CG2 4.13Å; Y326-V582 HydrophobicContact CD2-CG1 4.46Å; L329-V582 HydrophobicContact CD1-CG2 4.38Å; N578-V582 WeakPolarHBondContact O-CG2 3.13Å; N578-V582 PolarHBondContact O-N 3.31Å; L579-V582 WeakPolarHBondContact O-CB 3.43Å; L579-V582 PolarHBondContact O-N 3.1Å; R580-V582 VanDerWaalsContact C-N 3.3Å; R580-V582 PolarHBondContact O-N 3.34Å; V582-L584 PolarHBondContact O-N 3.41Å; V582-S585 PolarHBondContact O-N 3.19Å; V582-K586 HydrophobicContact CG1-CG 4.39Å; V582-K586 WeakPolarHBondContact O-CB 3.08Å; V582-K586 WeakPolarHBondContact O-CG 3.32Å; V582-K586 PolarHBondContact O-N 2.97Å; V582-I610 HydrophobicContact CB-CG2 4.05Å; V582-I610 HydrophobicContact CG1-CD1 4.2Å; V582-I610 HydrophobicContact CG1-CG2 3.64Å; V582-L640 HydrophobicContact CG2-CD2 4.1Å
583	V	98.4	Very high	96.2	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-55.4	-51.7	174.9	167.9	0	0	0	0	111	L579 R580 S585 K586 V587 F603 H606 I610 L611	L579-V583 WeakPolarHBondContact O-CG2 3.49Å; L579-V583 PolarHBondContact O-N 3.24Å; R580-V583 WeakPolarHBondContact O-CB 3.41Å; R580-V583 PolarHBondContact O-N 2.93Å; V583-S585 VanDerWaalsContact C-N 3.33Å; V583-S585 PolarHBondContact O-N 3.02Å; V583-K586 PolarHBondContact O-N 3.44Å; V583-V587 HydrophobicContact CG1-CG2 4.22Å; V583-V587 WeakPolarHBondContact O-CB 3.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.41Å; V583-V587 PolarHBondContact O-N 3.42Å; V583-F603 HydrophobicContact CG1-CD2 4.26Å; V583-F603 HydrophobicContact CG1-CE2 3.99Å; V583-H606 HydrophobicContact CG1-CB 4Å; V583-H606 WeakPolarHBondContact CG2-O 3.4Å; V583-I610 HydrophobicContact CG2-CB 3.7Å; V583-I610 HydrophobicContact CG2-CD1 4.28Å; V583-I610 HydrophobicContact CG2-CG2 3.72Å; V583-L611 HydrophobicContact CG2-CB 3.98Å
584	L	98.3	Very high	96.3	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-41.1	-177.6	-62	-175.6	0	0	0	112.3	R580 Q581 V582 V587 D588 F603 M621 F625 Y636	R580-L584 WeakPolarHBondContact O-CG 3.42Å; R580-L584 PolarHBondContact O-N 3.44Å; R580-L584 VanDerWaalsContact O-N 3.09Å; Q581-L584 PolarHBondContact O-N 3.48Å; V582-L584 PolarHBondContact O-N 3.41Å; L584-V587 PolarHBondContact O-N 3.16Å; L584-D588 WeakPolarHBondContact O-CB 3.47Å; L584-D588 PolarHBondContact O-N 3.2Å; L584-F603 HydrophobicContact CD2-CE2 4.2Å; L584-M621 HydrophobicContact CD2-CE 3.11Å; L584-F625 HydrophobicContact CB-CE1 4.38Å; L584-F625 HydrophobicContact CB-CZ 4.14Å; L584-F625 HydrophobicContact CD1-CZ 4.36Å; L584-F625 HydrophobicContact CD2-CE1 4.29Å; L584-F625 HydrophobicContact CD2-CZ 4.35Å; L584-Y636 HydrophobicContact CB-CD1 3.59Å; L584-Y636 HydrophobicContact CB-CE1 3.25Å; L584-Y636 HydrophobicContact CD1-CE1 3.73Å; L584-Y636 WeakPolarHBondContact CD1-OH 3.46Å; L584-Y636 HydrophobicContact CG-CE1 4.11Å
585	S	97.8	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-64.8	-42.8	177.1	-55	0	0	0	0	111.5	Q581 V582 V583 Q589 Y637	Q581-S585 WeakPolarHBondContact O-CB 3.42Å; Q581-S585 PolarHBondContact O-N 3.35Å; Q581-S585 PolarHBondContact O-OG 3.5Å; V582-S585 PolarHBondContact O-N 3.19Å; V583-S585 VanDerWaalsContact C-N 3.33Å; V583-S585 PolarHBondContact O-N 3.02Å; S585-Q589 WeakPolarHBondContact O-CG 3.34Å; S585-Q589 PolarHBondContact O-N 2.62Å; S585-Y637 WeakPolarHBondContact OG-CA 2.93Å
586	K	98.1	Very high	96.4	Very high	33 Å²	33	30.7 Å²	30.7	14%	0.143	17%	0.173	C	C	.	.	H	α-helix	trans	-67.2	-41.6	177	-77.6	-75.9	-177.5	174.5	0	112.2	I322 D323 V582 V583 Q589 S590 I610	I322-K586 HydrophobicContact CG2-CD 4.13Å; I322-K586 VanDerWaalsContact CG2-CE 3.44Å; I322-K586 HydrophobicContact CG2-CG 3.88Å; D323-K586 WeakPolarHBondContact OD1-CE 3.24Å; D323-K586 IonicContact OD1-NZ 2.71Å; D323-K586 PolarHBondContact OD1-NZ 2.89Å; D323-K586 IonicContact OD2-NZ 3.35Å; D323-K586 PolarHBondContact OD2-NZ 3.19Å; V582-K586 HydrophobicContact CG1-CG 4.39Å; V582-K586 WeakPolarHBondContact O-CB 3.08Å; V582-K586 WeakPolarHBondContact O-CG 3.32Å; V582-K586 PolarHBondContact O-N 2.97Å; V583-K586 PolarHBondContact O-N 3.44Å; K586-Q589 PolarHBondContact O-N 2.95Å; K586-S590 VanDerWaalsContact O-CB 3.3Å; K586-S590 WeakPolarHBondContact O-CB 3.12Å; K586-S590 PolarHBondContact O-N 3.45Å; K586-S590 PolarHBondContact O-OG 3.2Å; K586-I610 HydrophobicContact CB-CD1 4.22Å; K586-I610 HydrophobicContact CG-CD1 4.02Å
587	V	98.4	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-51.1	175.2	168.8	0	0	0	0	110.2	V583 L584 Q589 S590 L591 V602 F603 H606 T622	V583-V587 HydrophobicContact CG1-CG2 4.22Å; V583-V587 WeakPolarHBondContact O-CB 3.31Å; V583-V587 WeakPolarHBondContact O-CG2 3.41Å; V583-V587 PolarHBondContact O-N 3.42Å; L584-V587 PolarHBondContact O-N 3.16Å; V587-Q589 PolarHBondContact O-N 2.9Å; V587-S590 PolarHBondContact O-N 3.07Å; V587-L591 HydrophobicContact CG1-CD1 3.87Å; V587-L591 HydrophobicContact CG1-CG 4.27Å; V587-L591 WeakPolarHBondContact O-CB 3.33Å; V587-L591 VanDerWaalsContact O-CG 3.26Å; V587-L591 WeakPolarHBondContact O-CG 3.33Å; V587-L591 PolarHBondContact O-N 3.19Å; V587-V602 HydrophobicContact CG1-CG1 4.35Å; V587-V602 HydrophobicContact CG2-CG1 4.34Å; V587-F603 HydrophobicContact CG2-CB 4.36Å; V587-F603 HydrophobicContact CG2-CD2 4.07Å; V587-H606 HydrophobicContact CG2-CB 3.91Å; V587-T622 HydrophobicContact CG1-CG2 3.87Å
588	D	98.4	Very high	96.5	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.9	-48.6	177.3	174.1	50.4	0	0	0	112.3	L584 S590 L591 H592 L628 G634 Q635 Y636	L584-D588 WeakPolarHBondContact O-CB 3.47Å; L584-D588 PolarHBondContact O-N 3.2Å; D588-S590 PolarHBondContact O-N 3.12Å; D588-L591 PolarHBondContact O-N 3.36Å; D588-H592 PolarHBondContact O-N 2.62Å; D588-H592 VanDerWaalsContact O-N 3.11Å; D588-H592 PolarHBondContact O-ND1 3.33Å; D588-H592 IonicContact OD1-CE1 3.54Å; D588-H592 PolarHBondContact OD1-CE1 3.22Å; D588-H592 IonicContact OD1-ND1 3.38Å; D588-H592 PolarHBondContact OD1-ND1 3.34Å; D588-L628 HydrophobicContact CB-CD2 4.06Å; D588-L628 WeakPolarHBondContact OD1-CD2 3.24Å; D588-G634 PolarHBondContact OD1-N 2.84Å; D588-G634 WeakPolarHBondContact OD2-CA 3.23Å; D588-G634 PolarHBondContact OD2-N 3.12Å; D588-Q635 PolarHBondContact OD2-N 3.17Å; D588-Y636 PolarHBondContact OD2-N 3.45Å
589	Q	98.1	Very high	96.7	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-41.1	177.2	-71.2	-59.9	-64.4	0	0	112.7	V318 I322 S585 K586 V587 H592 S593 G634	V318-Q589 HydrophobicContact CG1-CG 3.82Å; I322-Q589 HydrophobicContact CD1-CG 4.48Å; S585-Q589 WeakPolarHBondContact O-CG 3.34Å; S585-Q589 PolarHBondContact O-N 2.62Å; K586-Q589 PolarHBondContact O-N 2.95Å; V587-Q589 PolarHBondContact O-N 2.9Å; Q589-H592 PolarHBondContact O-N 3.11Å; Q589-S593 WeakPolarHBondContact O-CB 3.1Å; Q589-S593 PolarHBondContact O-N 3.04Å; Q589-S593 PolarHBondContact O-OG 3.23Å; Q589-G634 VanDerWaalsContact NE2-C 3.32Å; Q589-G634 PolarHBondContact NE2-O 3.38Å
590	S	97.8	Very high	96.7	Very high	40 Å²	40	31.9 Å²	31.9	28%	0.28	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-48.7	177.8	-70.9	0	0	0	0	111.4	K586 V587 D588 H592 S593 C594 H606	K586-S590 VanDerWaalsContact O-CB 3.3Å; K586-S590 WeakPolarHBondContact O-CB 3.12Å; K586-S590 PolarHBondContact O-N 3.45Å; K586-S590 PolarHBondContact O-OG 3.2Å; V587-S590 PolarHBondContact O-N 3.07Å; D588-S590 PolarHBondContact O-N 3.12Å; S590-H592 VanDerWaalsContact C-N 3.26Å; S590-H592 PolarHBondContact O-N 2.67Å; S590-S593 PolarHBondContact O-N 3.47Å; S590-C594 PolarHBondContact O-N 3.35Å; S590-H606 PolarHBondContact OG-NE2 2.97Å; S590-H606 VanDerWaalsContact OG-NE2 3.16Å
591	L	98.1	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-33	-179.5	-66.2	-179.1	0	0	0	112.3	I287 V587 D588 A597 T599 V602 T622 L628	I287-L591 HydrophobicContact CD1-CB 3.92Å; I287-L591 HydrophobicContact CD1-CD1 4.37Å; I287-L591 HydrophobicContact CD1-CD2 3.91Å; I287-L591 HydrophobicContact CD1-CG 4.27Å; I287-L591 HydrophobicContact CG1-CB 4.39Å; I287-L591 VanDerWaalsContact CG2-O 3.29Å; I287-L591 WeakPolarHBondContact CG2-O 3.39Å; V587-L591 HydrophobicContact CG1-CD1 3.87Å; V587-L591 HydrophobicContact CG1-CG 4.27Å; V587-L591 WeakPolarHBondContact O-CB 3.33Å; V587-L591 VanDerWaalsContact O-CG 3.26Å; V587-L591 WeakPolarHBondContact O-CG 3.33Å; V587-L591 PolarHBondContact O-N 3.19Å; D588-L591 PolarHBondContact O-N 3.36Å; L591-A597 HydrophobicContact CD2-CB 3.67Å; L591-T599 HydrophobicContact CD1-CG2 4.4Å; L591-T599 HydrophobicContact CD2-CG2 4.02Å; L591-V602 HydrophobicContact CD2-CB 4.18Å; L591-V602 HydrophobicContact CD2-CG1 4.13Å; L591-V602 HydrophobicContact CD2-CG2 4.18Å; L591-V602 HydrophobicContact CG-CG1 4.43Å; L591-T622 HydrophobicContact CD1-CG2 4.47Å; L591-L628 HydrophobicContact CD1-CD1 3.82Å
592	H	98.3	Very high	96.8	Very high	4 Å²	4	32 Å²	32	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-95.9	2	-179.4	-63.7	108.7	0	0	0	114.7	R290 H302 A303 D588 Q589 S590 D633 G634	R290-H592 PolarHBondContact NH1-NE2 3.11Å; H302-H592 HydrophobicContact CB-CB 4.41Å; H302-H592 AromaticContact CD2-CD2 3.45Å; H302-H592 PolarHBondContact CD2-CD2 2.8Å; H302-H592 VanDerWaalsContact CD2-CD2 3.45Å; H302-H592 AromaticContact CD2-CG 3.84Å; H302-H592 PolarHBondContact N-O 2.8Å; A303-H592 HydrophobicContact CB-CB 4.09Å; A303-H592 PolarHBondContact N-O 3.4Å; D588-H592 PolarHBondContact O-N 2.62Å; D588-H592 VanDerWaalsContact O-N 3.11Å; D588-H592 PolarHBondContact O-ND1 3.33Å; D588-H592 IonicContact OD1-CE1 3.54Å; D588-H592 PolarHBondContact OD1-CE1 3.22Å; D588-H592 IonicContact OD1-ND1 3.38Å; D588-H592 PolarHBondContact OD1-ND1 3.34Å; Q589-H592 PolarHBondContact O-N 3.11Å; S590-H592 VanDerWaalsContact C-N 3.26Å; S590-H592 PolarHBondContact O-N 2.67Å; H592-D633 VanDerWaalsContact CE1-CB 3.47Å; H592-D633 WeakPolarHBondContact CE1-CB 3.29Å; H592-D633 WeakPolarHBondContact NE2-CB 3.46Å; H592-G634 PolarHBondContact ND1-N 2.85Å
593	S	96.9	Very high	96.9	Very high	49 Å²	49	33 Å²	33	34%	0.343	20%	0.2	S	C	.	.	H	α-helix	trans	-105.7	-7.9	174.7	-61.9	0	0	0	0	113.7	Q589 S590	Q589-S593 WeakPolarHBondContact O-CB 3.1Å; Q589-S593 PolarHBondContact O-N 3.04Å; Q589-S593 PolarHBondContact O-OG 3.23Å; S590-S593 PolarHBondContact O-N 3.47Å
594	C	91.8	Very high	96.9	Very high	63 Å²	63	34.8 Å²	34.8	43%	0.426	22%	0.215	S	C	.	.	S	Bend	trans	-120.6	147.5	178.3	-64	0	0	0	0	110.7	I287 S590 S596	I287-C594 WeakPolarHBondContact CG2-O 3.24Å; S590-C594 PolarHBondContact O-N 3.35Å; C594-S596 VanDerWaalsContact C-N 3.26Å; C594-S596 PolarHBondContact O-N 2.81Å
595	P	91.1	Very high	96.8	Very high	89 Å²	89	39.3 Å²	39.3	58%	0.578	24%	0.236	S	C	*	.	S	Bend	trans	-73.6	-16.6	-179	29.8	-35.5	0	0	0	113.8	Q288 A291	Q288-P595 WeakPolarHBondContact CA-O 3.45Å; Q288-P595 VanDerWaalsContact CG-O 3.29Å; Q288-P595 WeakPolarHBondContact CG-O 3.45Å; A291-P595 HydrophobicContact CB-CB 4.09Å
596	S	93.8	Very high	96.9	Very high	77 Å²	77	40.8 Å²	40.8	54%	0.538	24%	0.243	S	C	.	.			trans	-155.7	152.7	174.6	58.7	0	0	0	0	110	C594	C594-S596 VanDerWaalsContact C-N 3.26Å; C594-S596 PolarHBondContact O-N 2.81Å
597	A	93.6	Very high	96.9	Very high	26 Å²	26	39.6 Å²	39.6	22%	0.215	24%	0.238	C	C	.	.			trans	-159.7	147.9	176.2	0	0	0	0	0	110.4	L591 T599 V602	L591-A597 HydrophobicContact CD2-CB 3.67Å; A597-T599 PolarHBondContact O-N 2.64Å; A597-V602 HydrophobicContact CB-CG2 4.06Å
598	D	96.6	Very high	96.8	Very high	83 Å²	83	44.4 Å²	44.4	44%	0.444	26%	0.261	S	S	.	.			trans	-75.3	109.9	158.8	-178.7	-39.6	0	0	0	107.6	A600 E601 V602	D598-A600 VanDerWaalsContact C-N 3.28Å; D598-A600 PolarHBondContact O-N 2.95Å; D598-A600 WeakPolarHBondContact OD1-CB 3.45Å; D598-A600 PolarHBondContact OD1-N 3.13Å; D598-E601 HydrophobicContact CB-CB 3.87Å; D598-E601 PolarHBondContact O-N 3.03Å; D598-E601 PolarHBondContact OD1-N 3.27Å; D598-V602 WeakPolarHBondContact O-CG2 3.33Å; D598-V602 PolarHBondContact O-N 2.86Å; D598-V602 VanDerWaalsContact O-N 3.07Å
599	T	96.9	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-28.3	-171.7	58.5	0	0	0	0	112.9	L283 E284 I287 L591 A597 F603 N620 T622	L283-T599 HydrophobicContact CD2-CG2 3.73Å; L283-T599 HydrophobicContact CG-CG2 3.91Å; E284-T599 HydrophobicContact CG-CG2 3.7Å; I287-T599 HydrophobicContact CD1-CG2 3.76Å; L591-T599 HydrophobicContact CD1-CG2 4.4Å; L591-T599 HydrophobicContact CD2-CG2 4.02Å; A597-T599 PolarHBondContact O-N 2.64Å; T599-F603 PolarHBondContact O-N 3.44Å; T599-N620 PolarHBondContact OG1-ND2 3.46Å; T599-N620 VanDerWaalsContact OG1-ND2 3.16Å; T599-T622 VanDerWaalsContact CB-OG1 3.22Å; T599-T622 WeakPolarHBondContact CB-OG1 3.24Å; T599-T622 WeakPolarHBondContact O-CG2 3.26Å; T599-T622 PolarHBondContact O-OG1 2.99Å; T599-T622 PolarHBondContact OG1-OG1 3.29Å
600	A	97.5	Very high	96.7	Very high	27 Å²	27	48.4 Å²	48.4	22%	0.223	28%	0.282	C	S	.	.	H	α-helix	trans	-77.6	-42	177.5	0	0	0	0	0	111.2	D598 F603 A604 N620	D598-A600 VanDerWaalsContact C-N 3.28Å; D598-A600 PolarHBondContact O-N 2.95Å; D598-A600 WeakPolarHBondContact OD1-CB 3.45Å; D598-A600 PolarHBondContact OD1-N 3.13Å; A600-F603 PolarHBondContact O-N 3.16Å; A600-A604 WeakPolarHBondContact O-CB 3.3Å; A600-A604 PolarHBondContact O-N 2.74Å; A600-N620 HydrophobicContact CB-CB 4.11Å
601	E	97.9	Very high	96.6	Very high	128 Å²	128	46.9 Å²	46.9	60%	0.598	27%	0.271	S	S	*	.	H	α-helix	trans	-63.4	-46	178.3	-172.8	176.5	-170.6	0	0	111.5	D598 F603 A604 Q605	D598-E601 HydrophobicContact CB-CB 3.87Å; D598-E601 PolarHBondContact O-N 3.03Å; D598-E601 PolarHBondContact OD1-N 3.27Å; E601-F603 VanDerWaalsContact C-N 3.3Å; E601-F603 PolarHBondContact O-N 2.92Å; E601-A604 PolarHBondContact O-N 2.85Å; E601-Q605 WeakPolarHBondContact O-CB 3.27Å; E601-Q605 PolarHBondContact O-N 3.41Å
602	V	98	Very high	96.5	Very high	31 Å²	31	48.1 Å²	48.1	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-44.4	176.8	170.2	0	0	0	0	111.1	V587 L591 A597 D598 H606	V587-V602 HydrophobicContact CG1-CG1 4.35Å; V587-V602 HydrophobicContact CG2-CG1 4.34Å; L591-V602 HydrophobicContact CD2-CB 4.18Å; L591-V602 HydrophobicContact CD2-CG1 4.13Å; L591-V602 HydrophobicContact CD2-CG2 4.18Å; L591-V602 HydrophobicContact CG-CG1 4.43Å; A597-V602 HydrophobicContact CB-CG2 4.06Å; D598-V602 WeakPolarHBondContact O-CG2 3.33Å; D598-V602 PolarHBondContact O-N 2.86Å; D598-V602 VanDerWaalsContact O-N 3.07Å; V602-H606 PolarHBondContact O-CD2 3.05Å; V602-H606 PolarHBondContact O-N 3Å
603	F	98.3	Very high	96.5	Very high	20 Å²	20	48.1 Å²	48.1	9%	0.088	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-46.1	176.7	177.4	-104	0	0	0	112.4	V583 L584 V587 T599 A600 E601 Q605 H606 C607 A615 M621 T622	V583-F603 HydrophobicContact CG1-CD2 4.26Å; V583-F603 HydrophobicContact CG1-CE2 3.99Å; L584-F603 HydrophobicContact CD2-CE2 4.2Å; V587-F603 HydrophobicContact CG2-CB 4.36Å; V587-F603 HydrophobicContact CG2-CD2 4.07Å; T599-F603 PolarHBondContact O-N 3.44Å; A600-F603 PolarHBondContact O-N 3.16Å; E601-F603 VanDerWaalsContact C-N 3.3Å; E601-F603 PolarHBondContact O-N 2.92Å; F603-Q605 VanDerWaalsContact C-N 3.34Å; F603-Q605 PolarHBondContact O-N 3.02Å; F603-H606 PolarHBondContact O-N 3.2Å; F603-C607 WeakPolarHBondContact CZ-SG 3.11Å; F603-C607 WeakPolarHBondContact O-CB 3.44Å; F603-C607 PolarHBondContact O-N 3.08Å; F603-A615 HydrophobicContact CD1-CB 3.92Å; F603-A615 HydrophobicContact CE1-CB 3.76Å; F603-M621 HydrophobicContact CD1-CB 3.98Å; F603-M621 HydrophobicContact CD2-CE 3.92Å; F603-M621 HydrophobicContact CE1-CB 3.63Å; F603-M621 HydrophobicContact CE1-CG 4.43Å; F603-M621 HydrophobicContact CE2-CB 4.36Å; F603-M621 HydrophobicContact CE2-CE 3.22Å; F603-M621 HydrophobicContact CE2-SD 4.47Å; F603-M621 HydrophobicContact CG-CB 4.46Å; F603-M621 HydrophobicContact CZ-CB 3.85Å; F603-M621 HydrophobicContact CZ-CE 3.62Å; F603-M621 HydrophobicContact CZ-CG 4.17Å; F603-T622 HydrophobicContact CB-CG2 3.82Å; F603-T622 HydrophobicContact CG-CG2 4.34Å
604	A	98.3	Very high	96.5	Very high	39 Å²	39	47.7 Å²	47.7	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-42.7	-179.9	0	0	0	0	0	112.2	A600 E601 C607 Q608 A615	A600-A604 WeakPolarHBondContact O-CB 3.3Å; A600-A604 PolarHBondContact O-N 2.74Å; E601-A604 PolarHBondContact O-N 2.85Å; A604-C607 WeakPolarHBondContact O-CB 3.18Å; A604-C607 PolarHBondContact O-N 3.4Å; A604-Q608 PolarHBondContact O-N 2.98Å; A604-A615 HydrophobicContact CB-CB 4.11Å
605	Q	98.1	Very high	96.8	Very high	98 Å²	98	45.6 Å²	45.6	46%	0.458	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-49.6	178.3	-171.4	61.3	42.1	0	0	111.4	E601 F603 C607 Q608 D609	E601-Q605 WeakPolarHBondContact O-CB 3.27Å; E601-Q605 PolarHBondContact O-N 3.41Å; F603-Q605 VanDerWaalsContact C-N 3.34Å; F603-Q605 PolarHBondContact O-N 3.02Å; Q605-C607 PolarHBondContact O-N 3.19Å; Q605-Q608 PolarHBondContact O-N 3.4Å; Q605-Q608 VanDerWaalsContact O-N 3.16Å; Q605-D609 PolarHBondContact NE2-OD1 3.29Å; Q605-D609 VanDerWaalsContact NE2-OD1 3.1Å; Q605-D609 PolarHBondContact NE2-OD2 3.04Å; Q605-D609 PolarHBondContact O-N 3.3Å
606	H	98.1	Very high	97.1	Very high	33 Å²	33	42 Å²	42	15%	0.153	24%	0.244	C	C	.	.	H	α-helix	trans	-63.9	-39.4	178	-77.3	-56.6	0	0	0	112.1	V583 V587 S590 V602 F603 Q608 D609 I610	V583-H606 HydrophobicContact CG1-CB 4Å; V583-H606 WeakPolarHBondContact CG2-O 3.4Å; V587-H606 HydrophobicContact CG2-CB 3.91Å; S590-H606 PolarHBondContact OG-NE2 2.97Å; S590-H606 VanDerWaalsContact OG-NE2 3.16Å; V602-H606 PolarHBondContact O-CD2 3.05Å; V602-H606 PolarHBondContact O-N 3Å; F603-H606 PolarHBondContact O-N 3.2Å; H606-Q608 VanDerWaalsContact C-N 3.3Å; H606-Q608 PolarHBondContact O-N 2.99Å; H606-D609 PolarHBondContact O-N 3.06Å; H606-I610 HydrophobicContact CB-CD1 4.11Å; H606-I610 VanDerWaalsContact O-CB 3.29Å; H606-I610 WeakPolarHBondContact O-CB 3.33Å; H606-I610 PolarHBondContact O-N 3.22Å
607	C	98	Very high	97.3	Very high	8 Å²	8	44 Å²	44	5%	0.054	26%	0.255	C	S	.	.	I	π-helix	trans	-56.5	-44.2	172.3	-90.8	0	0	0	0	112.4	F603 A604 Q605 L611 G612 A615	F603-C607 WeakPolarHBondContact CZ-SG 3.11Å; F603-C607 WeakPolarHBondContact O-CB 3.44Å; F603-C607 PolarHBondContact O-N 3.08Å; A604-C607 WeakPolarHBondContact O-CB 3.18Å; A604-C607 PolarHBondContact O-N 3.4Å; Q605-C607 PolarHBondContact O-N 3.19Å; C607-L611 CarbonylContact O-C 3.51Å; C607-L611 WeakPolarHBondContact O-CB 3.47Å; C607-L611 PolarHBondContact O-N 2.87Å; C607-G612 PolarHBondContact O-N 2.7Å; C607-A615 HydrophobicContact CB-CB 4.42Å
608	Q	96.8	Very high	97.4	Very high	100 Å²	100	45.4 Å²	45.4	47%	0.467	27%	0.272	S	S	.	.	I	π-helix	trans	-67.2	-49.5	179.4	-176.9	60.6	30.8	0	0	111.8	A604 Q605 H606 G612	A604-Q608 PolarHBondContact O-N 2.98Å; Q605-Q608 PolarHBondContact O-N 3.4Å; Q605-Q608 VanDerWaalsContact O-N 3.16Å; H606-Q608 VanDerWaalsContact C-N 3.3Å; H606-Q608 PolarHBondContact O-N 2.99Å; Q608-G612 WeakPolarHBondContact O-CA 3.37Å; Q608-G612 PolarHBondContact O-N 2.94Å
609	D	96.9	Very high	97.5	Very high	86 Å²	86	42.1 Å²	42.1	46%	0.46	26%	0.255	S	S	.	.	I	π-helix	trans	-75.8	-34.8	-170.9	-68.4	-16.9	0	0	0	113.5	Y326 Q605 H606	Y326-D609 PolarHBondContact OH-O 2.92Å; Q605-D609 PolarHBondContact NE2-OD1 3.29Å; Q605-D609 VanDerWaalsContact NE2-OD1 3.1Å; Q605-D609 PolarHBondContact NE2-OD2 3.04Å; Q605-D609 PolarHBondContact O-N 3.3Å; H606-D609 PolarHBondContact O-N 3.06Å
610	I	97.4	Very high	97.5	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.077	26%	0.256	C	S	.	.	I	π-helix	trans	-101.1	-57.9	-172.7	-63.9	159.1	0	0	0	110.6	Y326 L579 V582 V583 K586 H606	Y326-I610 HydrophobicContact CD2-CB 4.38Å; Y326-I610 HydrophobicContact CD2-CG1 4.34Å; Y326-I610 HydrophobicContact CD2-CG2 3.76Å; Y326-I610 HydrophobicContact CE2-CB 4.04Å; Y326-I610 HydrophobicContact CE2-CG1 4.11Å; Y326-I610 HydrophobicContact CE2-CG2 3.83Å; L579-I610 HydrophobicContact CB-CG2 4.41Å; L579-I610 HydrophobicContact CD2-CG2 3.92Å; V582-I610 HydrophobicContact CB-CG2 4.05Å; V582-I610 HydrophobicContact CG1-CD1 4.2Å; V582-I610 HydrophobicContact CG1-CG2 3.64Å; V583-I610 HydrophobicContact CG2-CB 3.7Å; V583-I610 HydrophobicContact CG2-CD1 4.28Å; V583-I610 HydrophobicContact CG2-CG2 3.72Å; K586-I610 HydrophobicContact CB-CD1 4.22Å; K586-I610 HydrophobicContact CG-CD1 4.02Å; H606-I610 HydrophobicContact CB-CD1 4.11Å; H606-I610 VanDerWaalsContact O-CB 3.29Å; H606-I610 WeakPolarHBondContact O-CB 3.33Å; H606-I610 PolarHBondContact O-N 3.22Å
611	L	96.1	Very high	97.5	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	25%	0.247	C	C	.	.	I	π-helix	trans	-78.8	-27.9	-174.1	-176.1	62.4	0	0	0	111.9	R337 L364 L576 L579 R580 V583 C607 V613	R337-L611 WeakPolarHBondContact CD-O 3.49Å; R337-L611 PolarHBondContact NH1-O 3.3Å; L364-L611 HydrophobicContact CD2-CD2 4.14Å; L576-L611 HydrophobicContact CB-CD1 4.46Å; L576-L611 HydrophobicContact CD2-CD1 3.9Å; L579-L611 HydrophobicContact CB-CD1 4.03Å; R580-L611 HydrophobicContact CB-CD1 4.37Å; V583-L611 HydrophobicContact CG2-CB 3.98Å; C607-L611 CarbonylContact O-C 3.51Å; C607-L611 WeakPolarHBondContact O-CB 3.47Å; C607-L611 PolarHBondContact O-N 2.87Å; L611-V613 HydrophobicContact CD2-CB 4.04Å; L611-V613 HydrophobicContact CG-CB 4.01Å; L611-V613 HydrophobicContact CG-CG2 4.14Å; L611-V613 PolarHBondContact O-N 2.76Å
612	G	96.6	Very high	97.5	Very high	26 Å²	26	35.3 Å²	35.3	27%	0.268	22%	0.219	S	C	.	.	S	Bend	trans	64.8	24.8	-175.2	0	0	0	0	0	113.1	R337 C607 Q608	R337-G612 WeakPolarHBondContact CD-O 3.42Å; C607-G612 PolarHBondContact O-N 2.7Å; Q608-G612 WeakPolarHBondContact O-CA 3.37Å; Q608-G612 PolarHBondContact O-N 2.94Å
613	V	97.4	Very high	97.5	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	21%	0.21	C	C	.	.	S	Bend	trans	-129.5	113.3	173.1	177	0	0	0	0	105.8	I359 L611	I359-V613 HydrophobicContact CB-CG2 4.29Å; I359-V613 HydrophobicContact CG2-CG1 4.37Å; I359-V613 HydrophobicContact CG2-CG2 4.06Å; L611-V613 HydrophobicContact CD2-CB 4.04Å; L611-V613 HydrophobicContact CG-CB 4.01Å; L611-V613 HydrophobicContact CG-CG2 4.14Å; L611-V613 PolarHBondContact O-N 2.76Å
614	P	97.2	Very high	97.3	Very high	40 Å²	40	33.5 Å²	33.5	26%	0.26	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-67.2	145.4	-174.4	27	-34.2	0	0	0	111.2
615	A	97.9	Very high	97.2	Very high	19 Å²	19	32.3 Å²	32.3	16%	0.157	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-64.3	143	165.9	0	0	0	0	0	109.8	F603 A604 C607 P617	F603-A615 HydrophobicContact CD1-CB 3.92Å; F603-A615 HydrophobicContact CE1-CB 3.76Å; A604-A615 HydrophobicContact CB-CB 4.11Å; C607-A615 HydrophobicContact CB-CB 4.42Å; A615-P617 WeakPolarHBondContact O-CD 3.3Å
616	T	98.1	Very high	96.8	Very high	13 Å²	13	29.7 Å²	29.7	8%	0.08	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-66	123.6	-179.8	-62.2	0	0	0	0	110.3	E268 W362 G618 T619	E268-T616 VanDerWaalsContact CD-OG1 3.25Å; E268-T616 PolarHBondContact OE1-OG1 3.47Å; E268-T616 VanDerWaalsContact OE1-OG1 3.14Å; E268-T616 WeakPolarHBondContact OE2-CB 3.42Å; E268-T616 PolarHBondContact OE2-OG1 2.86Å; W362-T616 HydrophobicContact CZ3-CG2 4.09Å; T616-G618 PolarHBondContact O-N 2.97Å; T616-T619 HydrophobicContact CG2-CG2 3.92Å; T616-T619 WeakPolarHBondContact O-CB 3.34Å; T616-T619 PolarHBondContact O-N 2.91Å; T616-T619 VanDerWaalsContact O-N 3.15Å; T616-T619 PolarHBondContact O-OG1 2.79Å
617	P	97	Very high	96.6	Very high	121 Å²	121	30.6 Å²	30.6	79%	0.786	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	137.1	179	-27.3	35.4	0	0	0	112.4	A615 T619	A615-P617 WeakPolarHBondContact O-CD 3.3Å; P617-T619 VanDerWaalsContact C-N 3.29Å; P617-T619 PolarHBondContact O-N 2.77Å
618	G	95.9	Very high	96.5	Very high	55 Å²	55	30.3 Å²	30.3	57%	0.567	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	-4.1	-179.2	0	0	0	0	0	115	K276 T616	K276-G618 PolarHBondContact NZ-O 2.8Å; T616-G618 PolarHBondContact O-N 2.97Å
619	T	98.1	Very high	96.3	Very high	13 Å²	13	25.8 Å²	25.8	8%	0.08	17%	0.172	C	C	.	.			trans	-85.9	167.1	168.8	66.9	0	0	0	0	111.4	T269 H272 T616 P617	T269-T619 HydrophobicContact CG2-CG2 4.23Å; H272-T619 HydrophobicContact CB-CG2 4.07Å; T616-T619 HydrophobicContact CG2-CG2 3.92Å; T616-T619 WeakPolarHBondContact O-CB 3.34Å; T616-T619 PolarHBondContact O-N 2.91Å; T616-T619 VanDerWaalsContact O-N 3.15Å; T616-T619 PolarHBondContact O-OG1 2.79Å; P617-T619 VanDerWaalsContact C-N 3.29Å; P617-T619 PolarHBondContact O-N 2.77Å
620	N	97.9	Very high	95.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	17%	0.172	C	C	.	.			trans	-143.8	93.9	163.5	-172.8	-6	0	0	0	109.4	H272 K276 T280 T599 A600 T622 A623	H272-N620 CarbonylContact O-C 2.92Å; H272-N620 PolarHBondContact O-N 3.18Å; K276-N620 HydrophobicContact CD-CB 4.27Å; K276-N620 HydrophobicContact CG-CB 3.99Å; T280-N620 PolarHBondContact OG1-ND2 2.98Å; T599-N620 PolarHBondContact OG1-ND2 3.46Å; T599-N620 VanDerWaalsContact OG1-ND2 3.16Å; A600-N620 HydrophobicContact CB-CB 4.11Å; N620-T622 VanDerWaalsContact C-N 3.27Å; N620-T622 PolarHBondContact O-N 3.16Å; N620-T622 PolarHBondContact OD1-N 3.42Å; N620-T622 VanDerWaalsContact OD1-N 3.17Å; N620-T622 PolarHBondContact OD1-OG1 3.3Å; N620-A623 HydrophobicContact CB-CB 4.23Å; N620-A623 WeakPolarHBondContact O-CB 3.38Å; N620-A623 PolarHBondContact O-N 3.5Å
621	M	97.4	Very high	95.1	Very high	9 Å²	9	25.3 Å²	25.3	4%	0.044	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-62.1	-35.8	-178.6	-170.6	-82.2	-95.2	0	0	112.1	H272 L584 F603 A623 S624 F625	H272-M621 HydrophobicContact CB-CB 4.5Å; H272-M621 VanDerWaalsContact CD2-CG 3.48Å; H272-M621 WeakPolarHBondContact CD2-CG 3.46Å; L584-M621 HydrophobicContact CD2-CE 3.11Å; F603-M621 HydrophobicContact CD1-CB 3.98Å; F603-M621 HydrophobicContact CD2-CE 3.92Å; F603-M621 HydrophobicContact CE1-CB 3.63Å; F603-M621 HydrophobicContact CE1-CG 4.43Å; F603-M621 HydrophobicContact CE2-CB 4.36Å; F603-M621 HydrophobicContact CE2-CE 3.22Å; F603-M621 HydrophobicContact CE2-SD 4.47Å; F603-M621 HydrophobicContact CG-CB 4.46Å; F603-M621 HydrophobicContact CZ-CB 3.85Å; F603-M621 HydrophobicContact CZ-CE 3.62Å; F603-M621 HydrophobicContact CZ-CG 4.17Å; M621-A623 PolarHBondContact O-N 2.97Å; M621-S624 CarbonylContact O-C 3.13Å; M621-S624 WeakPolarHBondContact O-CA 3.39Å; M621-S624 PolarHBondContact O-N 3.29Å; M621-S624 PolarHBondContact O-OG 3.21Å; M621-F625 PolarHBondContact O-N 2.77Å; M621-F625 HydrophobicContact SD-CB 3.96Å; M621-F625 HydrophobicContact SD-CG 4.27Å
622	T	97.8	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64.1	-28	-177.8	65.6	0	0	0	0	112.8	V587 L591 T599 F603 N620 S624 F625	V587-T622 HydrophobicContact CG1-CG2 3.87Å; L591-T622 HydrophobicContact CD1-CG2 4.47Å; T599-T622 VanDerWaalsContact CB-OG1 3.22Å; T599-T622 WeakPolarHBondContact CB-OG1 3.24Å; T599-T622 WeakPolarHBondContact O-CG2 3.26Å; T599-T622 PolarHBondContact O-OG1 2.99Å; T599-T622 PolarHBondContact OG1-OG1 3.29Å; F603-T622 HydrophobicContact CB-CG2 3.82Å; F603-T622 HydrophobicContact CG-CG2 4.34Å; N620-T622 VanDerWaalsContact C-N 3.27Å; N620-T622 PolarHBondContact O-N 3.16Å; N620-T622 PolarHBondContact OD1-N 3.42Å; N620-T622 VanDerWaalsContact OD1-N 3.17Å; N620-T622 PolarHBondContact OD1-OG1 3.3Å; T622-S624 PolarHBondContact O-N 2.96Å; T622-F625 WeakPolarHBondContact O-CB 3.24Å; T622-F625 PolarHBondContact O-N 3.11Å
623	A	97.6	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-66.6	-14.2	172.1	0	0	0	0	0	113.7	F202 N279 N620 M621	F202-A623 WeakPolarHBondContact CZ-O 3.29Å; N279-A623 HydrophobicContact CB-CB 3.97Å; N279-A623 WeakPolarHBondContact CB-O 3.42Å; N279-A623 PolarHBondContact ND2-O 3.15Å; N620-A623 HydrophobicContact CB-CB 4.23Å; N620-A623 WeakPolarHBondContact O-CB 3.38Å; N620-A623 PolarHBondContact O-N 3.5Å; M621-A623 PolarHBondContact O-N 2.97Å
624	S	94.4	Very high	94.8	Very high	14 Å²	14	27.5 Å²	27.5	10%	0.098	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-113.1	8.1	173.6	68	0	0	0	0	113.2	M621 T622 S626	M621-S624 CarbonylContact O-C 3.13Å; M621-S624 WeakPolarHBondContact O-CA 3.39Å; M621-S624 PolarHBondContact O-N 3.29Å; M621-S624 PolarHBondContact O-OG 3.21Å; T622-S624 PolarHBondContact O-N 2.96Å; S624-S626 PolarHBondContact O-N 3.13Å
625	F	95.9	Very high	94.7	Very high	13 Å²	13	26.4 Å²	26.4	6%	0.057	18%	0.184	C	C	.	.			trans	-93	80.2	-177.7	-169.2	-163	0	0	0	110.7	L584 M621 T622 H627 L628 Y636	L584-F625 HydrophobicContact CB-CE1 4.38Å; L584-F625 HydrophobicContact CB-CZ 4.14Å; L584-F625 HydrophobicContact CD1-CZ 4.36Å; L584-F625 HydrophobicContact CD2-CE1 4.29Å; L584-F625 HydrophobicContact CD2-CZ 4.35Å; M621-F625 PolarHBondContact O-N 2.77Å; M621-F625 HydrophobicContact SD-CB 3.96Å; M621-F625 HydrophobicContact SD-CG 4.27Å; T622-F625 WeakPolarHBondContact O-CB 3.24Å; T622-F625 PolarHBondContact O-N 3.11Å; F625-H627 HydrophobicContact CD2-CB 3.97Å; F625-H627 AromaticContact CD2-ND1 3.68Å; F625-H627 HydrophobicContact CE2-CB 3.6Å; F625-H627 AromaticContact CE2-CG 3.64Å; F625-H627 AromaticContact CE2-ND1 3.37Å; F625-H627 WeakPolarHBondContact CE2-ND1 3.46Å; F625-H627 HydrophobicContact CZ-CB 4.09Å; F625-H627 PolarHBondContact O-N 2.91Å; F625-L628 HydrophobicContact CB-CD1 4.14Å; F625-L628 HydrophobicContact CB-CG 4.3Å; F625-L628 HydrophobicContact CD1-CD1 3.7Å; F625-L628 HydrophobicContact CD1-CD2 4.04Å; F625-L628 HydrophobicContact CD1-CG 3.58Å; F625-L628 HydrophobicContact CE1-CD2 4.11Å; F625-L628 HydrophobicContact CE1-CG 4.14Å; F625-L628 HydrophobicContact CG-CD1 4.26Å; F625-L628 HydrophobicContact CG-CG 4.07Å; F625-L628 PolarHBondContact O-N 3.36Å; F625-Y636 HydrophobicContact CE1-CD2 4.47Å; F625-Y636 AromaticContact CE2-CD2 3.81Å; F625-Y636 HydrophobicContact CE2-CD2 3.81Å; F625-Y636 AromaticContact CE2-CE2 3.51Å; F625-Y636 HydrophobicContact CE2-CE2 3.51Å; F625-Y636 HydrophobicContact CZ-CD1 4.24Å; F625-Y636 AromaticContact CZ-CD2 3.37Å; F625-Y636 HydrophobicContact CZ-CD2 3.37Å; F625-Y636 HydrophobicContact CZ-CE1 4.31Å; F625-Y636 AromaticContact CZ-CE2 3.41Å; F625-Y636 HydrophobicContact CZ-CE2 3.41Å; F625-Y636 VanDerWaalsContact CZ-CE2 3.41Å; F625-Y636 AromaticContact CZ-CG 3.8Å; F625-Y636 HydrophobicContact CZ-CG 3.8Å; F625-Y636 AromaticContact CZ-CZ 3.91Å
626	S	90.8	Very high	94.6	Very high	44 Å²	44	26.3 Å²	26.3	31%	0.308	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-50.8	-30.1	-175.7	55.8	0	0	0	0	114.9	N203 S624 L628 A629 G630	N203-S626 WeakPolarHBondContact OD1-CB 3.41Å; S624-S626 PolarHBondContact O-N 3.13Å; S626-L628 PolarHBondContact O-N 3.43Å; S626-A629 CarbonylContact O-C 3.6Å; S626-A629 PolarHBondContact O-N 2.99Å; S626-G630 WeakPolarHBondContact O-CA 3.44Å; S626-G630 PolarHBondContact O-N 3.42Å
627	H	92.5	Very high	94.5	Very high	52 Å²	52	25.7 Å²	25.7	24%	0.241	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-56.2	-33.7	177.6	-65	77.1	0	0	0	112.8	F625 A629 G630 Y632 D633 Y636	F625-H627 HydrophobicContact CD2-CB 3.97Å; F625-H627 AromaticContact CD2-ND1 3.68Å; F625-H627 HydrophobicContact CE2-CB 3.6Å; F625-H627 AromaticContact CE2-CG 3.64Å; F625-H627 AromaticContact CE2-ND1 3.37Å; F625-H627 WeakPolarHBondContact CE2-ND1 3.46Å; F625-H627 HydrophobicContact CZ-CB 4.09Å; F625-H627 PolarHBondContact O-N 2.91Å; H627-A629 PolarHBondContact O-N 3.33Å; H627-G630 PolarHBondContact O-N 3.33Å; H627-Y632 CarbonylContact O-C 3.35Å; H627-Y632 WeakPolarHBondContact O-CB 3.38Å; H627-Y632 PolarHBondContact O-N 3.3Å; H627-D633 PolarHBondContact O-N 2.89Å; H627-Y636 HydrophobicContact CB-CD2 3.95Å; H627-Y636 HydrophobicContact CB-CE2 4.37Å; H627-Y636 AromaticContact CD2-CD2 3.85Å; H627-Y636 AromaticContact CD2-CE2 3.77Å; H627-Y636 AromaticContact CG-CD2 3.87Å; H627-Y636 AromaticContact CG-CE2 3.85Å; H627-Y636 AromaticContact NE2-CE2 3.99Å
628	L	96.2	Very high	94.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-67.8	-16	177.5	-58.5	177.7	0	0	0	113.1	L283 R290 D588 L591 F625 S626	L283-L628 HydrophobicContact CD1-CB 3.86Å; L283-L628 HydrophobicContact CD1-CD1 4.04Å; L283-L628 HydrophobicContact CD2-CD1 3.7Å; R290-L628 VanDerWaalsContact CZ-O 3.25Å; R290-L628 PolarHBondContact NH1-O 2.96Å; R290-L628 PolarHBondContact NH2-O 3.33Å; D588-L628 HydrophobicContact CB-CD2 4.06Å; D588-L628 WeakPolarHBondContact OD1-CD2 3.24Å; L591-L628 HydrophobicContact CD1-CD1 3.82Å; F625-L628 HydrophobicContact CB-CD1 4.14Å; F625-L628 HydrophobicContact CB-CG 4.3Å; F625-L628 HydrophobicContact CD1-CD1 3.7Å; F625-L628 HydrophobicContact CD1-CD2 4.04Å; F625-L628 HydrophobicContact CD1-CG 3.58Å; F625-L628 HydrophobicContact CE1-CD2 4.11Å; F625-L628 HydrophobicContact CE1-CG 4.14Å; F625-L628 HydrophobicContact CG-CD1 4.26Å; F625-L628 HydrophobicContact CG-CG 4.07Å; F625-L628 PolarHBondContact O-N 3.36Å; S626-L628 PolarHBondContact O-N 3.43Å
629	A	93	Very high	94.1	Very high	5 Å²	5	20.2 Å²	20.2	4%	0.041	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-126.6	9.2	178.8	0	0	0	0	0	112.6	S199 F202 N203 L286 S626 H627	S199-A629 WeakPolarHBondContact CB-O 3.37Å; F202-A629 HydrophobicContact CB-CB 3.9Å; F202-A629 HydrophobicContact CD1-CB 3.56Å; F202-A629 HydrophobicContact CE1-CB 4.22Å; F202-A629 HydrophobicContact CG-CB 3.76Å; N203-A629 PolarHBondContact ND2-O 2.9Å; L286-A629 HydrophobicContact CD1-CB 4.21Å; S626-A629 CarbonylContact O-C 3.6Å; S626-A629 PolarHBondContact O-N 2.99Å; H627-A629 PolarHBondContact O-N 3.33Å
630	G	83.4	Confident	93.9	Very high	45 Å²	45	19.8 Å²	19.8	46%	0.464	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	14.9	-171.8	0	0	0	0	0	114.1	S626 H627	S626-G630 WeakPolarHBondContact O-CA 3.44Å; S626-G630 PolarHBondContact O-N 3.42Å; H627-G630 PolarHBondContact O-N 3.33Å
631	G	85.3	Confident	93.7	Very high	47 Å²	47	20.2 Å²	20.2	49%	0.485	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-1.6	-177.9	0	0	0	0	0	115.2	Q635	G631-Q635 PolarHBondContact O-NE2 3.42Å
632	Y	91.1	Very high	93.6	Very high	62 Å²	62	19.8 Å²	19.8	24%	0.243	12%	0.12	C	C	.	.			trans	-97.2	9.2	174.9	-79.4	-94	0	0	0	113.2	T525 H627 G634 Q635 Y636 Y639	T525-Y632 HydrophobicContact CG2-CE1 4.25Å; H627-Y632 CarbonylContact O-C 3.35Å; H627-Y632 WeakPolarHBondContact O-CB 3.38Å; H627-Y632 PolarHBondContact O-N 3.3Å; Y632-G634 PolarHBondContact O-N 3.27Å; Y632-Q635 WeakPolarHBondContact O-CA 3.3Å; Y632-Q635 PolarHBondContact O-N 3.37Å; Y632-Y636 PolarHBondContact O-N 3.16Å; Y632-Y639 HydrophobicContact CD1-CE2 4.1Å; Y632-Y639 AromaticContact CE1-CE2 3.94Å; Y632-Y639 HydrophobicContact CE1-CE2 3.94Å; Y632-Y639 AromaticContact CE1-CZ 3.83Å; Y632-Y639 PolarHBondContact OH-OH 3.04Å
633	D	96	Very high	93.4	Very high	21 Å²	21	21.1 Å²	21.1	11%	0.112	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	120.4	176.9	45.2	-74	0	0	0	112.1	R290 H302 H592 H627 Q635	R290-D633 VanDerWaalsContact CZ-CB 3.41Å; R290-D633 IonicContact CZ-OD1 2.7Å; R290-D633 IonicContact CZ-OD2 2.84Å; R290-D633 IonicContact NE-OD2 3.53Å; R290-D633 PolarHBondContact NE-OD2 3.01Å; R290-D633 IonicContact NH2-OD1 3.85Å; R290-D633 PolarHBondContact NH2-OD1 3.29Å; R290-D633 IonicContact NH2-OD2 3.38Å; R290-D633 PolarHBondContact NH2-OD2 2.76Å; H302-D633 IonicContact CD2-OD2 3.98Å; H302-D633 IonicContact CE1-OD2 3.27Å; H302-D633 PolarHBondContact CE1-OD2 3.21Å; H302-D633 VanDerWaalsContact CE1-OD2 3.31Å; H302-D633 IonicContact NE2-OD2 3.76Å; H302-D633 PolarHBondContact NE2-OD2 3.21Å; H592-D633 VanDerWaalsContact CE1-CB 3.47Å; H592-D633 WeakPolarHBondContact CE1-CB 3.29Å; H592-D633 WeakPolarHBondContact NE2-CB 3.46Å; H627-D633 PolarHBondContact O-N 2.89Å; D633-Q635 VanDerWaalsContact C-N 3.26Å; D633-Q635 PolarHBondContact O-N 2.73Å
634	G	96.5	Very high	93.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	6.7	-174.4	0	0	0	0	0	114.3	D588 Q589 H592 Y632	D588-G634 PolarHBondContact OD1-N 2.84Å; D588-G634 WeakPolarHBondContact OD2-CA 3.23Å; D588-G634 PolarHBondContact OD2-N 3.12Å; Q589-G634 VanDerWaalsContact NE2-C 3.32Å; Q589-G634 PolarHBondContact NE2-O 3.38Å; H592-G634 PolarHBondContact ND1-N 2.85Å; Y632-G634 PolarHBondContact O-N 3.27Å
635	Q	96.6	Very high	93.3	Very high	18 Å²	18	21.4 Å²	21.4	8%	0.084	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.8	5.9	-174.3	-65.5	176	90.2	0	0	113.9	V306 N310 T525 D588 G631 Y632 D633 Y637 S638	V306-Q635 HydrophobicContact CG1-CG 3.28Å; V306-Q635 VanDerWaalsContact CG1-NE2 3.3Å; N310-Q635 PolarHBondContact ND2-OE1 2.98Å; N310-Q635 PolarHBondContact OD1-OE1 2.93Å; T525-Q635 PolarHBondContact OG1-OE1 3.5Å; D588-Q635 PolarHBondContact OD2-N 3.17Å; G631-Q635 PolarHBondContact O-NE2 3.42Å; Y632-Q635 WeakPolarHBondContact O-CA 3.3Å; Y632-Q635 PolarHBondContact O-N 3.37Å; D633-Q635 VanDerWaalsContact C-N 3.26Å; D633-Q635 PolarHBondContact O-N 2.73Å; Q635-Y637 PolarHBondContact O-N 3.01Å; Q635-Y637 VanDerWaalsContact O-N 3.09Å; Q635-S638 WeakPolarHBondContact O-CB 3.29Å; Q635-S638 PolarHBondContact O-N 2.79Å; Q635-S638 PolarHBondContact O-OG 3.1Å
636	Y	95.9	Very high	93.2	Very high	17 Å²	17	20.8 Å²	20.8	7%	0.067	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.7	-175.8	-168.1	-89	0	0	0	113.1	Q581 L584 D588 F625 H627 Y632 S638 Y639	Q581-Y636 VanDerWaalsContact OE1-CE1 3.24Å; Q581-Y636 PolarHBondContact OE1-OH 3.4Å; L584-Y636 HydrophobicContact CB-CD1 3.59Å; L584-Y636 HydrophobicContact CB-CE1 3.25Å; L584-Y636 HydrophobicContact CD1-CE1 3.73Å; L584-Y636 WeakPolarHBondContact CD1-OH 3.46Å; L584-Y636 HydrophobicContact CG-CE1 4.11Å; D588-Y636 PolarHBondContact OD2-N 3.45Å; F625-Y636 HydrophobicContact CE1-CD2 4.47Å; F625-Y636 AromaticContact CE2-CD2 3.81Å; F625-Y636 HydrophobicContact CE2-CD2 3.81Å; F625-Y636 AromaticContact CE2-CE2 3.51Å; F625-Y636 HydrophobicContact CE2-CE2 3.51Å; F625-Y636 HydrophobicContact CZ-CD1 4.24Å; F625-Y636 AromaticContact CZ-CD2 3.37Å; F625-Y636 HydrophobicContact CZ-CD2 3.37Å; F625-Y636 HydrophobicContact CZ-CE1 4.31Å; F625-Y636 AromaticContact CZ-CE2 3.41Å; F625-Y636 HydrophobicContact CZ-CE2 3.41Å; F625-Y636 VanDerWaalsContact CZ-CE2 3.41Å; F625-Y636 AromaticContact CZ-CG 3.8Å; F625-Y636 HydrophobicContact CZ-CG 3.8Å; F625-Y636 AromaticContact CZ-CZ 3.91Å; H627-Y636 HydrophobicContact CB-CD2 3.95Å; H627-Y636 HydrophobicContact CB-CE2 4.37Å; H627-Y636 AromaticContact CD2-CD2 3.85Å; H627-Y636 AromaticContact CD2-CE2 3.77Å; H627-Y636 AromaticContact CG-CD2 3.87Å; H627-Y636 AromaticContact CG-CE2 3.85Å; H627-Y636 AromaticContact NE2-CE2 3.99Å; Y632-Y636 PolarHBondContact O-N 3.16Å; Y636-S638 PolarHBondContact O-N 3.02Å; Y636-S638 VanDerWaalsContact O-N 3.15Å; Y636-Y639 HydrophobicContact CD2-CD2 4.24Å; Y636-Y639 HydrophobicContact CD2-CE2 4.2Å; Y636-Y639 HydrophobicContact CE2-CD2 4.1Å; Y636-Y639 HydrophobicContact CE2-CE2 4.05Å
637	Y	96.1	Very high	93.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.1	173.1	81.6	-81.2	0	0	0	113.7	L307 A312 V318 D526 S585 Q635 Y639 L640 W641	L307-Y637 HydrophobicContact CD2-CD1 4.38Å; L307-Y637 HydrophobicContact CD2-CE1 3.3Å; L307-Y637 VanDerWaalsContact CD2-OH 3.23Å; L307-Y637 WeakPolarHBondContact CD2-OH 3.41Å; A312-Y637 HydrophobicContact CB-CE2 3.86Å; A312-Y637 VanDerWaalsContact CB-OH 3.25Å; A312-Y637 WeakPolarHBondContact CB-OH 3.45Å; V318-Y637 HydrophobicContact CG1-CD1 3.8Å; V318-Y637 HydrophobicContact CG1-CD2 3.91Å; V318-Y637 HydrophobicContact CG1-CE1 4.41Å; V318-Y637 HydrophobicContact CG1-CG 3.54Å; V318-Y637 HydrophobicContact CG2-CD1 4.08Å; V318-Y637 HydrophobicContact CG2-CD2 4.06Å; V318-Y637 HydrophobicContact CG2-CE1 3.84Å; V318-Y637 HydrophobicContact CG2-CE2 3.82Å; V318-Y637 HydrophobicContact CG2-CG 4.21Å; D526-Y637 HydrophobicContact CB-CE2 4.03Å; D526-Y637 VanDerWaalsContact CG-OH 3.29Å; D526-Y637 PolarHBondContact OD2-OH 2.97Å; S585-Y637 WeakPolarHBondContact OG-CA 2.93Å; Q635-Y637 PolarHBondContact O-N 3.01Å; Q635-Y637 VanDerWaalsContact O-N 3.09Å; Y637-Y639 VanDerWaalsContact C-N 3.25Å; Y637-Y639 PolarHBondContact O-N 3.31Å; Y637-L640 PolarHBondContact O-N 3.12Å; Y637-L640 VanDerWaalsContact O-N 3.08Å; Y637-W641 HydrophobicContact CD2-CB 3.87Å; Y637-W641 HydrophobicContact CD2-CD2 4.21Å; Y637-W641 AromaticContact CD2-CE3 3.87Å; Y637-W641 HydrophobicContact CD2-CE3 3.87Å; Y637-W641 HydrophobicContact CD2-CG 4.26Å; Y637-W641 HydrophobicContact CE2-CB 4.04Å; Y637-W641 AromaticContact CE2-CD2 3.82Å; Y637-W641 HydrophobicContact CE2-CD2 3.82Å; Y637-W641 AromaticContact CE2-CE3 3.72Å; Y637-W641 HydrophobicContact CE2-CE3 3.72Å; Y637-W641 AromaticContact CE2-CG 3.99Å; Y637-W641 HydrophobicContact CE2-CG 3.99Å; Y637-W641 HydrophobicContact CE2-CZ3 4.43Å; Y637-W641 WeakPolarHBondContact O-CB 3.42Å; Y637-W641 PolarHBondContact O-N 2.98Å
638	S	94.5	Very high	93.6	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-55.5	-36.3	-176.7	56.3	0	0	0	0	113.3	Q635 Y636 W641 S642	Q635-S638 WeakPolarHBondContact O-CB 3.29Å; Q635-S638 PolarHBondContact O-N 2.79Å; Q635-S638 PolarHBondContact O-OG 3.1Å; Y636-S638 PolarHBondContact O-N 3.02Å; Y636-S638 VanDerWaalsContact O-N 3.15Å; S638-W641 PolarHBondContact O-N 2.75Å; S638-S642 VanDerWaalsContact O-CB 3.25Å; S638-S642 WeakPolarHBondContact O-CB 3.4Å; S638-S642 PolarHBondContact O-N 2.66Å; S638-S642 PolarHBondContact O-OG 2.99Å
639	Y	89.9	Confident	93.6	Very high	59 Å²	59	16.2 Å²	16.2	23%	0.231	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-47.1	176.2	-70.8	-69.4	0	0	0	111.8	E529 Q533 Y632 Y636 Y637 E643	E529-Y639 HydrophobicContact CG-CD1 4.47Å; Q533-Y639 PolarHBondContact OE1-O 3.36Å; Y632-Y639 HydrophobicContact CD1-CE2 4.1Å; Y632-Y639 AromaticContact CE1-CE2 3.94Å; Y632-Y639 HydrophobicContact CE1-CE2 3.94Å; Y632-Y639 AromaticContact CE1-CZ 3.83Å; Y632-Y639 PolarHBondContact OH-OH 3.04Å; Y636-Y639 HydrophobicContact CD2-CD2 4.24Å; Y636-Y639 HydrophobicContact CD2-CE2 4.2Å; Y636-Y639 HydrophobicContact CE2-CD2 4.1Å; Y636-Y639 HydrophobicContact CE2-CE2 4.05Å; Y637-Y639 VanDerWaalsContact C-N 3.25Å; Y637-Y639 PolarHBondContact O-N 3.31Å; Y639-E643 WeakPolarHBondContact O-CB 3.46Å; Y639-E643 PolarHBondContact O-N 2.99Å
640	L	92.4	Very high	93.8	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	10%	0.095	C	C	.	.	H	α-helix	trans	-72.9	-39.5	-179.6	-175.5	61.6	0	0	0	111.6	F321 F325 V582 Y637 E643 V644	F321-L640 HydrophobicContact CE1-CB 4.38Å; F321-L640 HydrophobicContact CE1-CD2 4.02Å; F321-L640 HydrophobicContact CE1-CG 3.96Å; F321-L640 HydrophobicContact CZ-CG 4.14Å; F325-L640 HydrophobicContact CD1-CD1 4.4Å; F325-L640 HydrophobicContact CD1-CD2 3.64Å; F325-L640 HydrophobicContact CD1-CG 4.41Å; F325-L640 HydrophobicContact CE1-CD1 3.59Å; F325-L640 HydrophobicContact CE1-CD2 3.61Å; F325-L640 HydrophobicContact CE1-CG 4.06Å; F325-L640 HydrophobicContact CE2-CD1 4.31Å; F325-L640 HydrophobicContact CG-CD2 4.28Å; F325-L640 HydrophobicContact CZ-CD1 3.56Å; F325-L640 HydrophobicContact CZ-CD2 4.32Å; F325-L640 HydrophobicContact CZ-CG 4.28Å; V582-L640 HydrophobicContact CG2-CD2 4.1Å; Y637-L640 PolarHBondContact O-N 3.12Å; Y637-L640 VanDerWaalsContact O-N 3.08Å; L640-E643 PolarHBondContact O-N 3.3Å; L640-V644 VanDerWaalsContact O-CG2 3.3Å; L640-V644 WeakPolarHBondContact O-CG2 3.24Å; L640-V644 PolarHBondContact O-N 2.84Å
641	W	95.2	Very high	94.3	Very high	13 Å²	13	17.3 Å²	17.3	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-58.7	-49.1	176.4	-176.6	-79.5	0	0	0	111.4	M311 A312 F321 D526 Y637 S638 V644 Y645 M682	M311-W641 HydrophobicContact CB-CZ2 4.42Å; A312-W641 HydrophobicContact CB-CH2 3.86Å; A312-W641 HydrophobicContact CB-CZ2 4.12Å; A312-W641 HydrophobicContact CB-CZ3 4.08Å; F321-W641 HydrophobicContact CB-CE3 3.97Å; F321-W641 HydrophobicContact CB-CZ3 3.62Å; F321-W641 AromaticContact CD1-CE3 3.78Å; F321-W641 HydrophobicContact CD1-CE3 3.78Å; F321-W641 HydrophobicContact CD1-CZ3 4.34Å; F321-W641 AromaticContact CD2-CE3 3.8Å; F321-W641 HydrophobicContact CD2-CE3 3.8Å; F321-W641 HydrophobicContact CD2-CZ3 4.01Å; F321-W641 HydrophobicContact CE1-CB 4.34Å; F321-W641 HydrophobicContact CE1-CE3 4.23Å; F321-W641 HydrophobicContact CE2-CE3 4.24Å; F321-W641 AromaticContact CG-CE3 3.57Å; F321-W641 HydrophobicContact CG-CE3 3.57Å; F321-W641 AromaticContact CG-CZ3 3.74Å; F321-W641 HydrophobicContact CG-CZ3 3.74Å; F321-W641 HydrophobicContact CZ-CB 4.34Å; F321-W641 HydrophobicContact CZ-CE3 4.45Å; D526-W641 HydrophobicContact CB-CG 4.31Å; Y637-W641 HydrophobicContact CD2-CB 3.87Å; Y637-W641 HydrophobicContact CD2-CD2 4.21Å; Y637-W641 AromaticContact CD2-CE3 3.87Å; Y637-W641 HydrophobicContact CD2-CE3 3.87Å; Y637-W641 HydrophobicContact CD2-CG 4.26Å; Y637-W641 HydrophobicContact CE2-CB 4.04Å; Y637-W641 AromaticContact CE2-CD2 3.82Å; Y637-W641 HydrophobicContact CE2-CD2 3.82Å; Y637-W641 AromaticContact CE2-CE3 3.72Å; Y637-W641 HydrophobicContact CE2-CE3 3.72Å; Y637-W641 AromaticContact CE2-CG 3.99Å; Y637-W641 HydrophobicContact CE2-CG 3.99Å; Y637-W641 HydrophobicContact CE2-CZ3 4.43Å; Y637-W641 WeakPolarHBondContact O-CB 3.42Å; Y637-W641 PolarHBondContact O-N 2.98Å; S638-W641 PolarHBondContact O-N 2.75Å; W641-V644 PolarHBondContact O-N 2.87Å; W641-Y645 AromaticContact CD1-CD2 3.8Å; W641-Y645 AromaticContact CD1-CE2 3.7Å; W641-Y645 HydrophobicContact CD2-CE2 4.11Å; W641-Y645 AromaticContact CE2-CE2 3.37Å; W641-Y645 AromaticContact CE2-CZ 3.92Å; W641-Y645 HydrophobicContact CG-CE2 4.3Å; W641-Y645 AromaticContact CZ2-CE2 3.72Å; W641-Y645 HydrophobicContact CZ2-CE2 3.72Å; W641-Y645 AromaticContact CZ2-CZ 4Å; W641-Y645 WeakPolarHBondContact CZ2-OH 3.48Å; W641-Y645 AromaticContact NE1-CD2 3.62Å; W641-Y645 AromaticContact NE1-CE2 3.14Å; W641-Y645 PolarHBondContact O-N 3.38Å; W641-M682 HydrophobicContact CZ2-CE 4.42Å
642	S	94.8	Very high	94.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.5	-42.3	176.7	-60.2	0	0	0	0	111.4	D526 S638 V644 Y645 S646	D526-S642 PolarHBondContact O-OG 2.75Å; S638-S642 VanDerWaalsContact O-CB 3.25Å; S638-S642 WeakPolarHBondContact O-CB 3.4Å; S638-S642 PolarHBondContact O-N 2.66Å; S638-S642 PolarHBondContact O-OG 2.99Å; S642-V644 VanDerWaalsContact C-N 3.31Å; S642-V644 PolarHBondContact O-N 3.31Å; S642-Y645 PolarHBondContact O-N 3.19Å; S642-S646 VanDerWaalsContact O-CB 3.25Å; S642-S646 WeakPolarHBondContact O-CB 3.33Å; S642-S646 PolarHBondContact O-N 2.88Å; S642-S646 PolarHBondContact O-OG 3.46Å
643	E	93	Very high	95	Very high	27 Å²	27	14.9 Å²	14.9	13%	0.126	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-43.4	-177.1	-168.5	-176.2	-179.1	0	0	110.1	Y639 L640 Y645 S646 M647 F698 K702	Y639-E643 WeakPolarHBondContact O-CB 3.46Å; Y639-E643 PolarHBondContact O-N 2.99Å; L640-E643 PolarHBondContact O-N 3.3Å; E643-Y645 PolarHBondContact O-N 2.69Å; E643-S646 WeakPolarHBondContact CA-OG 3.2Å; E643-S646 PolarHBondContact O-N 3.46Å; E643-S646 PolarHBondContact O-OG 2.92Å; E643-M647 HydrophobicContact CG-CE 4.38Å; E643-M647 VanDerWaalsContact O-CG 3.24Å; E643-M647 WeakPolarHBondContact O-CG 3.46Å; E643-M647 PolarHBondContact O-N 2.98Å; E643-F698 HydrophobicContact CG-CD2 4.31Å; E643-F698 HydrophobicContact CG-CE2 3.9Å; E643-K702 WeakPolarHBondContact OE1-CE 3.27Å; E643-K702 IonicContact OE1-NZ 3.35Å; E643-K702 PolarHBondContact OE1-NZ 3.11Å
644	V	93.9	Very high	95	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.8	-46.2	178.3	169.4	0	0	0	0	112	F321 F325 L640 W641 S642 M647 D648 Q695 F698	F321-V644 HydrophobicContact CE2-CB 4.11Å; F321-V644 HydrophobicContact CE2-CG1 4.1Å; F321-V644 HydrophobicContact CE2-CG2 4.12Å; F321-V644 HydrophobicContact CZ-CB 4.12Å; F321-V644 HydrophobicContact CZ-CG2 3.81Å; F325-V644 HydrophobicContact CD2-CG2 4.09Å; F325-V644 HydrophobicContact CE2-CG2 3.66Å; F325-V644 HydrophobicContact CZ-CG2 4.44Å; L640-V644 VanDerWaalsContact O-CG2 3.3Å; L640-V644 WeakPolarHBondContact O-CG2 3.24Å; L640-V644 PolarHBondContact O-N 2.84Å; W641-V644 PolarHBondContact O-N 2.87Å; S642-V644 VanDerWaalsContact C-N 3.31Å; S642-V644 PolarHBondContact O-N 3.31Å; V644-M647 PolarHBondContact O-N 2.67Å; V644-D648 PolarHBondContact O-N 3.16Å; V644-Q695 HydrophobicContact CG1-CB 3.97Å; V644-Q695 HydrophobicContact CG1-CG 3.88Å; V644-F698 HydrophobicContact CG1-CB 4.4Å; V644-F698 HydrophobicContact CG2-CB 4.2Å; V644-F698 HydrophobicContact CG2-CD2 3.83Å; V644-F698 HydrophobicContact CG2-CE2 4.36Å; V644-F698 HydrophobicContact CG2-CG 3.95Å
645	Y	95.3	Very high	94.9	Very high	20 Å²	20	18.3 Å²	18.3	8%	0.078	8%	0.081	C	C	.	.	H	α-helix	trans	-75.3	-33.3	-179.2	-64.2	-20.1	0	0	0	113	M311 W641 S642 E643 M647 D648 I649 M682 L685 P693	M311-Y645 HydrophobicContact CE-CD2 4.26Å; M311-Y645 HydrophobicContact CE-CE2 4.2Å; W641-Y645 AromaticContact CD1-CD2 3.8Å; W641-Y645 AromaticContact CD1-CE2 3.7Å; W641-Y645 HydrophobicContact CD2-CE2 4.11Å; W641-Y645 AromaticContact CE2-CE2 3.37Å; W641-Y645 AromaticContact CE2-CZ 3.92Å; W641-Y645 HydrophobicContact CG-CE2 4.3Å; W641-Y645 AromaticContact CZ2-CE2 3.72Å; W641-Y645 HydrophobicContact CZ2-CE2 3.72Å; W641-Y645 AromaticContact CZ2-CZ 4Å; W641-Y645 WeakPolarHBondContact CZ2-OH 3.48Å; W641-Y645 AromaticContact NE1-CD2 3.62Å; W641-Y645 AromaticContact NE1-CE2 3.14Å; W641-Y645 PolarHBondContact O-N 3.38Å; S642-Y645 PolarHBondContact O-N 3.19Å; E643-Y645 PolarHBondContact O-N 2.69Å; Y645-M647 VanDerWaalsContact C-N 3.28Å; Y645-M647 PolarHBondContact O-N 3.24Å; Y645-D648 PolarHBondContact O-N 3.23Å; Y645-D648 VanDerWaalsContact O-N 3.16Å; Y645-I649 WeakPolarHBondContact O-CG1 3.39Å; Y645-I649 PolarHBondContact O-N 3.16Å; Y645-M682 HydrophobicContact CE2-CE 4.06Å; Y645-L685 HydrophobicContact CD2-CD1 3.52Å; Y645-L685 HydrophobicContact CE2-CD1 4.15Å; Y645-L685 HydrophobicContact CG-CD1 3.9Å; Y645-P693 HydrophobicContact CD1-CB 3.62Å; Y645-P693 HydrophobicContact CD1-CG 4.07Å; Y645-P693 HydrophobicContact CD2-CG 4.5Å; Y645-P693 HydrophobicContact CE1-CB 3.8Å; Y645-P693 HydrophobicContact CE1-CG 3.85Å; Y645-P693 HydrophobicContact CE2-CG 4.25Å; Y645-P693 HydrophobicContact CG-CB 4.11Å; Y645-P693 HydrophobicContact CG-CG 4.4Å
646	S	95.8	Very high	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-39.3	172.1	81.3	0	0	0	0	111.7	V530 S642 E643 I649 F650	V530-S646 WeakPolarHBondContact O-CB 3.27Å; S642-S646 VanDerWaalsContact O-CB 3.25Å; S642-S646 WeakPolarHBondContact O-CB 3.33Å; S642-S646 PolarHBondContact O-N 2.88Å; S642-S646 PolarHBondContact O-OG 3.46Å; E643-S646 WeakPolarHBondContact CA-OG 3.2Å; E643-S646 PolarHBondContact O-N 3.46Å; E643-S646 PolarHBondContact O-OG 2.92Å; S646-I649 PolarHBondContact O-N 2.98Å; S646-F650 PolarHBondContact O-N 3.05Å
647	M	94.5	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-68.2	-35	175.7	-68.7	-65.1	141.1	0	0	111.9	N537 E643 V644 Y645 F650 F651 F698 C701	N537-M647 WeakPolarHBondContact ND2-CE 3.45Å; N537-M647 WeakPolarHBondContact OD1-CE 3.23Å; N537-M647 PolarHBondContact OD1-SD 2.74Å; E643-M647 HydrophobicContact CG-CE 4.38Å; E643-M647 VanDerWaalsContact O-CG 3.24Å; E643-M647 WeakPolarHBondContact O-CG 3.46Å; E643-M647 PolarHBondContact O-N 2.98Å; V644-M647 PolarHBondContact O-N 2.67Å; Y645-M647 VanDerWaalsContact C-N 3.28Å; Y645-M647 PolarHBondContact O-N 3.24Å; M647-F650 PolarHBondContact O-N 3.48Å; M647-F651 VanDerWaalsContact O-CB 3.23Å; M647-F651 WeakPolarHBondContact O-CB 3.46Å; M647-F651 PolarHBondContact O-N 2.73Å; M647-F698 HydrophobicContact CB-CB 4.16Å; M647-F698 HydrophobicContact CB-CD2 4.47Å; M647-F698 HydrophobicContact CG-CB 4.46Å; M647-F698 HydrophobicContact CG-CD2 3.92Å; M647-C701 HydrophobicContact SD-CB 4.16Å
648	D	96.4	Very high	94.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-66.4	-43.2	175.2	-163.3	12.2	0	0	0	112.1	V644 Y645 S652 R691 P693 C694 A697	V644-D648 PolarHBondContact O-N 3.16Å; Y645-D648 PolarHBondContact O-N 3.23Å; Y645-D648 VanDerWaalsContact O-N 3.16Å; D648-S652 WeakPolarHBondContact O-CB 2.97Å; D648-S652 PolarHBondContact O-N 2.88Å; D648-S652 PolarHBondContact O-OG 3.02Å; D648-S652 PolarHBondContact OD1-OG 2.86Å; D648-R691 IonicContact OD1-CZ 3.31Å; D648-R691 IonicContact OD1-NH1 2.75Å; D648-R691 IonicContact OD1-NH2 3.19Å; D648-R691 PolarHBondContact OD1-NH2 3.26Å; D648-R691 IonicContact OD2-CZ 3.52Å; D648-R691 IonicContact OD2-NH1 3.58Å; D648-R691 PolarHBondContact OD2-NH1 3.13Å; D648-R691 IonicContact OD2-NH2 2.66Å; D648-R691 PolarHBondContact OD2-NH2 3.24Å; D648-P693 WeakPolarHBondContact OD2-CA 3.45Å; D648-C694 PolarHBondContact OD2-N 3.49Å; D648-A697 VanDerWaalsContact CA-CB 3.46Å; D648-A697 HydrophobicContact CB-CB 4.06Å
649	I	96.6	Very high	95	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.4	-54.9	170.8	-66.4	176.6	0	0	0	110.2	V530 M534 Y645 S646 R653 F654 Y668 L685 F688	V530-I649 HydrophobicContact CG1-CD1 3.5Å; M534-I649 HydrophobicContact CG-CB 4.15Å; M534-I649 HydrophobicContact CG-CG2 3.71Å; M534-I649 HydrophobicContact SD-CG2 4.48Å; Y645-I649 WeakPolarHBondContact O-CG1 3.39Å; Y645-I649 PolarHBondContact O-N 3.16Å; S646-I649 PolarHBondContact O-N 2.98Å; I649-R653 WeakPolarHBondContact O-CB 3.46Å; I649-R653 PolarHBondContact O-N 3.37Å; I649-R653 VanDerWaalsContact O-N 3.16Å; I649-F654 HydrophobicContact CG2-CD2 4.29Å; I649-F654 HydrophobicContact CG2-CE2 4.06Å; I649-Y668 HydrophobicContact CG2-CD2 4.49Å; I649-L685 HydrophobicContact CD1-CD2 3.64Å; I649-L685 HydrophobicContact CG1-CD2 4.02Å; I649-F688 HydrophobicContact CG1-CD1 4.37Å; I649-F688 HydrophobicContact CG2-CD1 3.99Å; I649-F688 HydrophobicContact CG2-CE1 3.58Å
650	F	96.5	Very high	95.3	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.013	14%	0.14	C	C	.	.	I	π-helix	trans	-60.1	-52	-176.1	177.8	-106.9	0	0	0	111.8	M534 N537 W538 E541 S646 M647 F654 K655 I659	M534-F650 HydrophobicContact CG-CB 4.38Å; N537-F650 HydrophobicContact CB-CB 4.43Å; N537-F650 HydrophobicContact CB-CD1 3.76Å; N537-F650 HydrophobicContact CB-CD2 3.48Å; N537-F650 VanDerWaalsContact CB-CD2 3.48Å; N537-F650 HydrophobicContact CB-CE1 3.78Å; N537-F650 HydrophobicContact CB-CE2 3.49Å; N537-F650 VanDerWaalsContact CB-CE2 3.49Å; N537-F650 HydrophobicContact CB-CG 3.6Å; N537-F650 HydrophobicContact CB-CZ 3.65Å; W538-F650 HydrophobicContact CE3-CD2 4.15Å; W538-F650 AromaticContact CE3-CE2 3.96Å; W538-F650 HydrophobicContact CE3-CE2 3.96Å; W538-F650 AromaticContact CH2-CD2 3.97Å; W538-F650 HydrophobicContact CH2-CD2 3.97Å; W538-F650 HydrophobicContact CH2-CE2 4.09Å; W538-F650 AromaticContact CZ3-CD2 3.46Å; W538-F650 HydrophobicContact CZ3-CD2 3.46Å; W538-F650 VanDerWaalsContact CZ3-CD2 3.46Å; W538-F650 AromaticContact CZ3-CE2 3.64Å; W538-F650 HydrophobicContact CZ3-CE2 3.64Å; E541-F650 HydrophobicContact CG-CZ 3.97Å; S646-F650 PolarHBondContact O-N 3.05Å; M647-F650 PolarHBondContact O-N 3.48Å; F650-F654 HydrophobicContact CD2-CB 4.02Å; F650-F654 HydrophobicContact CE2-CB 4.32Å; F650-F654 CarbonylContact O-C 3.58Å; F650-F654 WeakPolarHBondContact O-CA 3.47Å; F650-F654 WeakPolarHBondContact O-CB 3.33Å; F650-F654 PolarHBondContact O-N 3.17Å; F650-F654 VanDerWaalsContact O-N 3.11Å; F650-K655 HydrophobicContact CE1-CD 4.2Å; F650-K655 HydrophobicContact CZ-CD 4.24Å; F650-K655 PolarHBondContact O-N 3.36Å; F650-I659 HydrophobicContact CE2-CG2 3.94Å; F650-I659 HydrophobicContact CZ-CG2 3.96Å
651	F	94.2	Very high	95.5	Very high	70 Å²	70	30.7 Å²	30.7	31%	0.307	15%	0.15	S	C	.	.	I	π-helix	trans	-70.3	-46.7	-174.5	-170.7	-95.1	0	0	0	112.4	M647 K655 A697 Q700 C701	M647-F651 VanDerWaalsContact O-CB 3.23Å; M647-F651 WeakPolarHBondContact O-CB 3.46Å; M647-F651 PolarHBondContact O-N 2.73Å; F651-K655 HydrophobicContact CD2-CB 4.49Å; F651-K655 HydrophobicContact CD2-CG 4.47Å; F651-K655 WeakPolarHBondContact O-CB 3.49Å; F651-A697 HydrophobicContact CB-CB 3.7Å; F651-A697 HydrophobicContact CD1-CB 4.21Å; F651-A697 HydrophobicContact CG-CB 4.16Å; F651-Q700 HydrophobicContact CE2-CB 4.5Å; F651-Q700 HydrophobicContact CZ-CB 4.48Å; F651-C701 WeakPolarHBondContact CD2-SG 3.42Å
652	S	94.9	Very high	95.6	Very high	29 Å²	29	32.9 Å²	32.9	20%	0.203	17%	0.166	C	C	.	.	I	π-helix	trans	-76.2	-28.4	-171.3	-64.9	0	0	0	0	113.4	D648 R691	D648-S652 WeakPolarHBondContact O-CB 2.97Å; D648-S652 PolarHBondContact O-N 2.88Å; D648-S652 PolarHBondContact O-OG 3.02Å; D648-S652 PolarHBondContact OD1-OG 2.86Å; S652-R691 PolarHBondContact OG-NH2 3.47Å
653	R	96.3	Very high	95.7	Very high	29 Å²	29	40 Å²	40	11%	0.109	20%	0.197	C	C	.	.	I	π-helix	trans	-108.3	-67.1	-179	-61	-63.6	-50.3	-90.9	-0.8	111.2	I649 K656 E657 V664 E667 F688 L689	I649-R653 WeakPolarHBondContact O-CB 3.46Å; I649-R653 PolarHBondContact O-N 3.37Å; I649-R653 VanDerWaalsContact O-N 3.16Å; R653-K656 PolarHBondContact O-N 3.49Å; R653-E657 IonicContact CZ-OE1 2.91Å; R653-E657 IonicContact NE-OE1 2.98Å; R653-E657 PolarHBondContact NE-OE1 3.32Å; R653-E657 IonicContact NH2-OE1 2.73Å; R653-E657 PolarHBondContact NH2-OE1 2.97Å; R653-E657 IonicContact NH2-OE2 3.98Å; R653-E657 VanDerWaalsContact O-CB 3.31Å; R653-E657 WeakPolarHBondContact O-CB 3.27Å; R653-E657 WeakPolarHBondContact O-CG 3.48Å; R653-E657 PolarHBondContact O-N 3.45Å; R653-V664 HydrophobicContact CB-CG1 3.99Å; R653-E667 IonicContact CZ-OE1 3.99Å; R653-E667 IonicContact CZ-OE2 3.9Å; R653-E667 IonicContact NH1-OE1 3.53Å; R653-E667 PolarHBondContact NH1-OE1 2.97Å; R653-E667 IonicContact NH1-OE2 2.62Å; R653-E667 VanDerWaalsContact NH2-CD 3.31Å; R653-E667 IonicContact NH2-OE1 2.67Å; R653-E667 PolarHBondContact NH2-OE1 3.42Å; R653-E667 IonicContact NH2-OE2 3.02Å; R653-E667 PolarHBondContact NH2-OE2 2.88Å; R653-F688 HydrophobicContact CB-CE1 3.79Å; R653-F688 HydrophobicContact CB-CZ 4.07Å; R653-F688 HydrophobicContact CG-CD1 4.01Å; R653-F688 HydrophobicContact CG-CE1 3.49Å; R653-F688 VanDerWaalsContact CG-CE1 3.49Å; R653-F688 HydrophobicContact CG-CZ 4.02Å; R653-F688 PolarHBondContact NH1-O 2.85Å; R653-L689 HydrophobicContact CG-CD2 4.27Å
654	F	96.6	Very high	96	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-66.5	-48.6	-172.8	-70.7	-79.1	0	0	0	113.2	L403 M534 W538 I649 F650 K656 E657 G658 I659 V664 Y668 F688	L403-F654 HydrophobicContact CD1-CD1 4.21Å; L403-F654 HydrophobicContact CD1-CE1 3.62Å; L403-F654 HydrophobicContact CD2-CE1 4.46Å; L403-F654 HydrophobicContact CG-CE1 4.35Å; M534-F654 HydrophobicContact CE-CE2 4.03Å; M534-F654 HydrophobicContact CE-CZ 4.43Å; M534-F654 HydrophobicContact SD-CD2 4.12Å; M534-F654 HydrophobicContact SD-CE2 3.87Å; W538-F654 HydrophobicContact CH2-CB 4.1Å; W538-F654 AromaticContact CH2-CD1 3.7Å; W538-F654 HydrophobicContact CH2-CD1 3.7Å; W538-F654 AromaticContact CH2-CD2 3.97Å; W538-F654 HydrophobicContact CH2-CD2 3.97Å; W538-F654 HydrophobicContact CH2-CE1 4.07Å; W538-F654 HydrophobicContact CH2-CE2 4.29Å; W538-F654 AromaticContact CH2-CG 3.64Å; W538-F654 HydrophobicContact CH2-CG 3.64Å; W538-F654 HydrophobicContact CH2-CZ 4.32Å; W538-F654 AromaticContact CZ2-CD1 3.89Å; W538-F654 HydrophobicContact CZ2-CD1 3.89Å; W538-F654 HydrophobicContact CZ2-CE1 4.25Å; W538-F654 HydrophobicContact CZ2-CG 4.25Å; I649-F654 HydrophobicContact CG2-CD2 4.29Å; I649-F654 HydrophobicContact CG2-CE2 4.06Å; F650-F654 HydrophobicContact CD2-CB 4.02Å; F650-F654 HydrophobicContact CE2-CB 4.32Å; F650-F654 CarbonylContact O-C 3.58Å; F650-F654 WeakPolarHBondContact O-CA 3.47Å; F650-F654 WeakPolarHBondContact O-CB 3.33Å; F650-F654 PolarHBondContact O-N 3.17Å; F650-F654 VanDerWaalsContact O-N 3.11Å; F654-K656 VanDerWaalsContact C-N 3.28Å; F654-K656 PolarHBondContact O-N 2.98Å; F654-E657 PolarHBondContact O-N 3.14Å; F654-G658 CarbonylContact O-C 3.57Å; F654-G658 WeakPolarHBondContact O-CA 3.33Å; F654-G658 PolarHBondContact O-N 3.36Å; F654-I659 PolarHBondContact O-N 2.86Å; F654-I659 VanDerWaalsContact O-N 3.17Å; F654-V664 HydrophobicContact CD1-CB 4.26Å; F654-V664 HydrophobicContact CD1-CG1 3.75Å; F654-V664 HydrophobicContact CD2-CG1 4.35Å; F654-V664 HydrophobicContact CE1-CB 4.05Å; F654-V664 HydrophobicContact CE1-CG1 3.6Å; F654-V664 HydrophobicContact CE2-CG1 4.25Å; F654-V664 HydrophobicContact CG-CG1 4.13Å; F654-V664 HydrophobicContact CZ-CG1 3.89Å; F654-Y668 HydrophobicContact CE2-CD2 4.43Å; F654-Y668 HydrophobicContact CE2-CG 4.35Å; F654-Y668 HydrophobicContact CZ-CG 4.05Å; F654-F688 HydrophobicContact CE2-CE1 4.43Å; F654-F688 HydrophobicContact CE2-CZ 4.26Å
655	K	94.1	Very high	96.2	Very high	93 Å²	93	38.8 Å²	38.8	40%	0.404	19%	0.191	S	C	.	.	I	π-helix	trans	-65.1	-34.4	-178.3	-163	70.2	178.9	-170	0	112.3	E541 F650 F651 I659	E541-K655 IonicContact OE1-NZ 3.94Å; E541-K655 PolarHBondContact OE1-NZ 2.81Å; E541-K655 IonicContact OE2-NZ 2.63Å; E541-K655 PolarHBondContact OE2-NZ 3.24Å; F650-K655 HydrophobicContact CE1-CD 4.2Å; F650-K655 HydrophobicContact CZ-CD 4.24Å; F650-K655 PolarHBondContact O-N 3.36Å; F651-K655 HydrophobicContact CD2-CB 4.49Å; F651-K655 HydrophobicContact CD2-CG 4.47Å; F651-K655 WeakPolarHBondContact O-CB 3.49Å; K655-I659 HydrophobicContact CD-CG2 4.09Å
656	K	94.4	Very high	96.3	Very high	174 Å²	174	41.3 Å²	41.3	76%	0.757	20%	0.202	S	C	*	.	H	α-helix	trans	-75.3	-40.9	179.7	-175.2	179.9	176.8	-175.6	0	113.2	R653 F654	R653-K656 PolarHBondContact O-N 3.49Å; F654-K656 VanDerWaalsContact C-N 3.28Å; F654-K656 PolarHBondContact O-N 2.98Å
657	E	96.6	Very high	96.4	Very high	75 Å²	75	44.3 Å²	44.3	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-100.9	-4.8	-172	-62.6	179.5	-117.9	0	0	113.3	R653 F654 N661 V664	R653-E657 IonicContact CZ-OE1 2.91Å; R653-E657 IonicContact NE-OE1 2.98Å; R653-E657 PolarHBondContact NE-OE1 3.32Å; R653-E657 IonicContact NH2-OE1 2.73Å; R653-E657 PolarHBondContact NH2-OE1 2.97Å; R653-E657 IonicContact NH2-OE2 3.98Å; R653-E657 VanDerWaalsContact O-CB 3.31Å; R653-E657 WeakPolarHBondContact O-CB 3.27Å; R653-E657 WeakPolarHBondContact O-CG 3.48Å; R653-E657 PolarHBondContact O-N 3.45Å; F654-E657 PolarHBondContact O-N 3.14Å; E657-N661 PolarHBondContact O-ND2 3.32Å; E657-V664 HydrophobicContact CB-CG2 3.69Å; E657-V664 HydrophobicContact CG-CG2 4.31Å; E657-V664 WeakPolarHBondContact OE2-CG2 3.47Å
658	G	96.7	Very high	96.6	Very high	33 Å²	33	44.3 Å²	44.3	34%	0.34	22%	0.217	S	C	.	.			trans	109.6	122.4	-177	0	0	0	0	0	111.4	F654 M660 N661	F654-G658 CarbonylContact O-C 3.57Å; F654-G658 WeakPolarHBondContact O-CA 3.33Å; F654-G658 PolarHBondContact O-N 3.36Å; G658-M660 PolarHBondContact O-N 3.44Å; G658-N661 WeakPolarHBondContact O-CB 3.49Å; G658-N661 PolarHBondContact O-N 3Å
659	I	96.1	Very high	96.7	Very high	19 Å²	19	44.8 Å²	44.8	10%	0.097	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.5	-174.3	62.3	173	0	0	0	113.1	W538 E541 P544 F650 F654 K655	W538-I659 WeakPolarHBondContact CZ2-O 3.34Å; W538-I659 PolarHBondContact NE1-O 2.79Å; E541-I659 HydrophobicContact CB-CD1 3.55Å; E541-I659 HydrophobicContact CG-CD1 3.73Å; P544-I659 HydrophobicContact CG-CD1 3.86Å; F650-I659 HydrophobicContact CE2-CG2 3.94Å; F650-I659 HydrophobicContact CZ-CG2 3.96Å; F654-I659 PolarHBondContact O-N 2.86Å; F654-I659 VanDerWaalsContact O-N 3.17Å; K655-I659 HydrophobicContact CD-CG2 4.09Å
660	M	96.9	Very high	96.7	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.069	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	17.9	174	-65.7	-51.9	-64.9	0	0	112.5	I399 E402 W538 G658 P662	I399-M660 HydrophobicContact CB-CE 4.21Å; I399-M660 HydrophobicContact CG1-CE 4.1Å; I399-M660 HydrophobicContact CG1-SD 4.46Å; I399-M660 HydrophobicContact CG2-CE 4.06Å; I399-M660 HydrophobicContact CG2-SD 4.16Å; E402-M660 HydrophobicContact CB-CE 4.16Å; E402-M660 HydrophobicContact CG-CE 4.26Å; W538-M660 PolarHBondContact NE1-SD 3.36Å; W538-M660 VanDerWaalsContact NE1-SD 3.36Å; G658-M660 PolarHBondContact O-N 3.44Å; M660-P662 WeakPolarHBondContact O-CD 3.37Å
661	N	97.7	Very high	96.8	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.241	26%	0.258	C	S	.	.			trans	-71.4	112.2	-178.6	-174.4	-29.7	0	0	0	111	E657 G658 K663 V664 G665	E657-N661 PolarHBondContact O-ND2 3.32Å; G658-N661 WeakPolarHBondContact O-CB 3.49Å; G658-N661 PolarHBondContact O-N 3Å; N661-K663 PolarHBondContact O-N 3.49Å; N661-K663 VanDerWaalsContact OD1-CB 3.26Å; N661-K663 WeakPolarHBondContact OD1-CB 3.45Å; N661-K663 PolarHBondContact OD1-N 3.3Å; N661-V664 HydrophobicContact CB-CB 4.41Å; N661-V664 HydrophobicContact CB-CG2 4.06Å; N661-V664 PolarHBondContact O-N 3.39Å; N661-G665 PolarHBondContact O-N 3.26Å; N661-G665 VanDerWaalsContact O-N 3.1Å
662	P	95.8	Very high	97	Very high	59 Å²	59	49.9 Å²	49.9	38%	0.383	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-21.7	-175.2	29	-36.3	0	0	0	112.7	M660 K666	M660-P662 WeakPolarHBondContact O-CD 3.37Å; P662-K666 WeakPolarHBondContact O-CB 3.4Å; P662-K666 VanDerWaalsContact O-CG 3.29Å; P662-K666 WeakPolarHBondContact O-CG 3.5Å; P662-K666 PolarHBondContact O-N 3.1Å
663	K	97.6	Very high	97.1	Very high	150 Å²	150	48.5 Å²	48.5	65%	0.652	23%	0.233	S	C	*	.	H	α-helix	trans	-67.8	-45.8	175.6	-174.6	-175.2	174.5	-171.6	0	110.7	N661 K666 E667	N661-K663 PolarHBondContact O-N 3.49Å; N661-K663 VanDerWaalsContact OD1-CB 3.26Å; N661-K663 WeakPolarHBondContact OD1-CB 3.45Å; N661-K663 PolarHBondContact OD1-N 3.3Å; K663-K666 PolarHBondContact O-N 3.38Å; K663-E667 PolarHBondContact O-N 2.83Å
664	V	98.2	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-41.5	177.9	-176.5	0	0	0	0	110.1	R653 F654 E657 N661 E667 Y668 F688	R653-V664 HydrophobicContact CB-CG1 3.99Å; F654-V664 HydrophobicContact CD1-CB 4.26Å; F654-V664 HydrophobicContact CD1-CG1 3.75Å; F654-V664 HydrophobicContact CD2-CG1 4.35Å; F654-V664 HydrophobicContact CE1-CB 4.05Å; F654-V664 HydrophobicContact CE1-CG1 3.6Å; F654-V664 HydrophobicContact CE2-CG1 4.25Å; F654-V664 HydrophobicContact CG-CG1 4.13Å; F654-V664 HydrophobicContact CZ-CG1 3.89Å; E657-V664 HydrophobicContact CB-CG2 3.69Å; E657-V664 HydrophobicContact CG-CG2 4.31Å; E657-V664 WeakPolarHBondContact OE2-CG2 3.47Å; N661-V664 HydrophobicContact CB-CB 4.41Å; N661-V664 HydrophobicContact CB-CG2 4.06Å; N661-V664 PolarHBondContact O-N 3.39Å; V664-E667 PolarHBondContact O-N 3.29Å; V664-Y668 WeakPolarHBondContact O-CB 3.46Å; V664-Y668 PolarHBondContact O-N 2.9Å; V664-F688 HydrophobicContact CG1-CZ 4.08Å
665	G	98.2	Very high	97.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-39.1	176.9	0	0	0	0	0	113.9	L403 N661 Y668 R669	L403-G665 CarbonylContact O-C 3.52Å; L403-G665 WeakPolarHBondContact O-CA 3.46Å; N661-G665 PolarHBondContact O-N 3.26Å; N661-G665 VanDerWaalsContact O-N 3.1Å; G665-Y668 WeakPolarHBondContact O-CB 3.37Å; G665-Y668 PolarHBondContact O-N 3.4Å; G665-R669 WeakPolarHBondContact O-CB 3.34Å; G665-R669 PolarHBondContact O-N 2.79Å
666	K	97.3	Very high	97.3	Very high	73 Å²	73	45.4 Å²	45.4	32%	0.317	23%	0.225	S	C	.	.	H	α-helix	trans	-65.8	-38.3	171.5	-77	176.5	179.9	175.6	0	112.9	L403 E430 P662 K663 R669 K670	L403-K666 PolarHBondContact O-N 3.32Å; E430-K666 IonicContact OE1-NZ 2.76Å; E430-K666 PolarHBondContact OE1-NZ 3.15Å; P662-K666 WeakPolarHBondContact O-CB 3.4Å; P662-K666 VanDerWaalsContact O-CG 3.29Å; P662-K666 WeakPolarHBondContact O-CG 3.5Å; P662-K666 PolarHBondContact O-N 3.1Å; K663-K666 PolarHBondContact O-N 3.38Å; K666-R669 PolarHBondContact O-N 3.16Å; K666-K670 WeakPolarHBondContact O-CB 3.35Å; K666-K670 PolarHBondContact O-N 3.43Å
667	E	98.1	Very high	97.4	Very high	64 Å²	64	37.2 Å²	37.2	30%	0.299	19%	0.189	S	C	.	.	H	α-helix	trans	-65.6	-41.3	174	-169.4	-177.3	155.5	0	0	111.2	R653 K663 V664 K670 V671 F688	R653-E667 IonicContact CZ-OE1 3.99Å; R653-E667 IonicContact CZ-OE2 3.9Å; R653-E667 IonicContact NH1-OE1 3.53Å; R653-E667 PolarHBondContact NH1-OE1 2.97Å; R653-E667 IonicContact NH1-OE2 2.62Å; R653-E667 VanDerWaalsContact NH2-CD 3.31Å; R653-E667 IonicContact NH2-OE1 2.67Å; R653-E667 PolarHBondContact NH2-OE1 3.42Å; R653-E667 IonicContact NH2-OE2 3.02Å; R653-E667 PolarHBondContact NH2-OE2 2.88Å; K663-E667 PolarHBondContact O-N 2.83Å; V664-E667 PolarHBondContact O-N 3.29Å; E667-K670 PolarHBondContact O-N 3.29Å; E667-V671 HydrophobicContact CG-CG2 4.18Å; E667-V671 WeakPolarHBondContact O-CB 3.49Å; E667-V671 WeakPolarHBondContact O-CG2 3.23Å; E667-V671 PolarHBondContact O-N 3.15Å; E667-F688 HydrophobicContact CB-CE2 4.07Å; E667-F688 HydrophobicContact CG-CD2 4.13Å; E667-F688 HydrophobicContact CG-CE2 3.93Å
668	Y	98.6	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-48.6	174.2	167.9	-101.9	0	0	0	111.3	L404 P531 M534 I649 F654 V664 G665 K670 V671 I672 L673 F688	L404-Y668 HydrophobicContact CD2-CD1 3.95Å; L404-Y668 HydrophobicContact CD2-CE1 4.33Å; P531-Y668 VanDerWaalsContact CA-OH 3.27Å; P531-Y668 WeakPolarHBondContact CA-OH 3.43Å; P531-Y668 VanDerWaalsContact CB-OH 3.28Å; P531-Y668 WeakPolarHBondContact CB-OH 3.24Å; M534-Y668 HydrophobicContact CE-CD1 4.02Å; M534-Y668 HydrophobicContact CE-CD2 3.87Å; M534-Y668 HydrophobicContact CE-CE1 3.5Å; M534-Y668 VanDerWaalsContact CE-CE1 3.5Å; M534-Y668 HydrophobicContact CE-CE2 3.35Å; M534-Y668 HydrophobicContact CE-CG 4.18Å; M534-Y668 WeakPolarHBondContact CE-OH 3.22Å; I649-Y668 HydrophobicContact CG2-CD2 4.49Å; F654-Y668 HydrophobicContact CE2-CD2 4.43Å; F654-Y668 HydrophobicContact CE2-CG 4.35Å; F654-Y668 HydrophobicContact CZ-CG 4.05Å; V664-Y668 WeakPolarHBondContact O-CB 3.46Å; V664-Y668 PolarHBondContact O-N 2.9Å; G665-Y668 WeakPolarHBondContact O-CB 3.37Å; G665-Y668 PolarHBondContact O-N 3.4Å; Y668-K670 VanDerWaalsContact C-N 3.29Å; Y668-K670 PolarHBondContact O-N 3.31Å; Y668-V671 PolarHBondContact O-N 3.36Å; Y668-I672 HydrophobicContact CD2-CB 3.78Å; Y668-I672 HydrophobicContact CD2-CG1 3.59Å; Y668-I672 HydrophobicContact CD2-CG2 4.29Å; Y668-I672 HydrophobicContact CE2-CB 3.64Å; Y668-I672 HydrophobicContact CE2-CG1 3.76Å; Y668-I672 HydrophobicContact CE2-CG2 3.62Å; Y668-I672 WeakPolarHBondContact O-CA 3.32Å; Y668-I672 WeakPolarHBondContact O-CB 3.42Å; Y668-I672 PolarHBondContact O-N 3.17Å; Y668-L673 HydrophobicContact CD1-CD1 4.29Å; Y668-L673 HydrophobicContact CD1-CG 4.35Å; Y668-L673 HydrophobicContact CE1-CD1 3.74Å; Y668-L673 HydrophobicContact CE1-CD2 3.94Å; Y668-L673 HydrophobicContact CE1-CG 3.8Å; Y668-L673 PolarHBondContact O-N 3.34Å; Y668-F688 VanDerWaalsContact CA-CE2 3.45Å; Y668-F688 HydrophobicContact CD2-CZ 4.45Å; Y668-F688 VanDerWaalsContact N-CE2 3.34Å
669	R	98.4	Very high	97.5	Very high	10 Å²	10	35.6 Å²	35.6	4%	0.038	18%	0.18	C	C	.	.	I	π-helix	trans	-52.6	-49.2	173.5	179.3	176.6	170.8	-158	-8.9	110.8	L404 D428 C510 G665 K666 L673 E674	L404-R669 HydrophobicContact CD2-CB 4.18Å; L404-R669 VanDerWaalsContact O-CD 3.23Å; L404-R669 WeakPolarHBondContact O-CD 3.36Å; L404-R669 PolarHBondContact O-NH1 3.47Å; D428-R669 IonicContact OD2-CZ 2.69Å; D428-R669 VanDerWaalsContact OD2-CZ 3.3Å; D428-R669 IonicContact OD2-NH1 3.54Å; D428-R669 PolarHBondContact OD2-NH1 3.32Å; D428-R669 IonicContact OD2-NH2 3.46Å; D428-R669 PolarHBondContact OD2-NH2 2.94Å; C510-R669 HydrophobicContact CB-CG 4.16Å; G665-R669 WeakPolarHBondContact O-CB 3.34Å; G665-R669 PolarHBondContact O-N 2.79Å; K666-R669 PolarHBondContact O-N 3.16Å; R669-L673 CarbonylContact O-C 3.54Å; R669-L673 WeakPolarHBondContact O-CB 3.31Å; R669-L673 PolarHBondContact O-N 3.34Å; R669-E674 HydrophobicContact CG-CG 4.33Å; R669-E674 WeakPolarHBondContact O-CG 3.43Å; R669-E674 PolarHBondContact O-N 2.89Å
670	K	97.9	Very high	97.5	Very high	146 Å²	146	37.1 Å²	37.1	64%	0.635	19%	0.188	S	C	*	.	I	π-helix	trans	-68.4	-43	-176.8	-177.6	175.9	179.6	-179.9	0	114	K666 E667 Y668	K666-K670 WeakPolarHBondContact O-CB 3.35Å; K666-K670 PolarHBondContact O-N 3.43Å; E667-K670 PolarHBondContact O-N 3.29Å; Y668-K670 VanDerWaalsContact C-N 3.29Å; Y668-K670 PolarHBondContact O-N 3.31Å
671	V	98.2	Very high	97.5	Very high	34 Å²	34	36.4 Å²	36.4	21%	0.206	18%	0.184	C	C	.	.	I	π-helix	trans	-89.2	-37.8	-171.1	178.9	0	0	0	0	112.1	E667 Y668 F688	E667-V671 HydrophobicContact CG-CG2 4.18Å; E667-V671 WeakPolarHBondContact O-CB 3.49Å; E667-V671 WeakPolarHBondContact O-CG2 3.23Å; E667-V671 PolarHBondContact O-N 3.15Å; Y668-V671 PolarHBondContact O-N 3.36Å; V671-F688 HydrophobicContact CB-CB 4.37Å; V671-F688 HydrophobicContact CB-CD2 4.14Å; V671-F688 HydrophobicContact CG1-CB 3.81Å; V671-F688 HydrophobicContact CG1-CD2 4.49Å; V671-F688 HydrophobicContact CG2-CD2 4.49Å
672	I	98.1	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-97.7	-48.8	-175.1	-56.8	-59.9	0	0	0	111.4	F527 P531 Y668 M684 F688	F527-I672 HydrophobicContact CE1-CG2 4.36Å; F527-I672 HydrophobicContact CZ-CD1 4.45Å; F527-I672 HydrophobicContact CZ-CG2 4Å; P531-I672 HydrophobicContact CG-CG2 4.08Å; Y668-I672 HydrophobicContact CD2-CB 3.78Å; Y668-I672 HydrophobicContact CD2-CG1 3.59Å; Y668-I672 HydrophobicContact CD2-CG2 4.29Å; Y668-I672 HydrophobicContact CE2-CB 3.64Å; Y668-I672 HydrophobicContact CE2-CG1 3.76Å; Y668-I672 HydrophobicContact CE2-CG2 3.62Å; Y668-I672 WeakPolarHBondContact O-CA 3.32Å; Y668-I672 WeakPolarHBondContact O-CB 3.42Å; Y668-I672 PolarHBondContact O-N 3.17Å; I672-M684 HydrophobicContact CD1-CB 3.98Å; I672-F688 HydrophobicContact CD1-CB 3.91Å; I672-F688 HydrophobicContact CD1-CG 4.33Å; I672-F688 HydrophobicContact CG1-CB 4.31Å; I672-F688 HydrophobicContact CG1-CG 4.23Å
673	L	98.3	Very high	97.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-86.7	-46.7	-171.5	-52	-177.6	0	0	0	113.3	L404 M506 H507 C510 S511 P531 Y668 R669 A675 G676	L404-L673 HydrophobicContact CD1-CD1 4.23Å; L404-L673 HydrophobicContact CD2-CD1 4.33Å; M506-L673 HydrophobicContact CB-CD1 4.34Å; H507-L673 HydrophobicContact CB-CD2 3.99Å; C510-L673 HydrophobicContact CB-CB 3.74Å; C510-L673 HydrophobicContact CB-CD1 4.12Å; S511-L673 VanDerWaalsContact CA-O 3.3Å; S511-L673 WeakPolarHBondContact CA-O 3.41Å; P531-L673 HydrophobicContact CB-CD2 4.08Å; P531-L673 HydrophobicContact CG-CD2 4.31Å; Y668-L673 HydrophobicContact CD1-CD1 4.29Å; Y668-L673 HydrophobicContact CD1-CG 4.35Å; Y668-L673 HydrophobicContact CE1-CD1 3.74Å; Y668-L673 HydrophobicContact CE1-CD2 3.94Å; Y668-L673 HydrophobicContact CE1-CG 3.8Å; Y668-L673 PolarHBondContact O-N 3.34Å; R669-L673 CarbonylContact O-C 3.54Å; R669-L673 WeakPolarHBondContact O-CB 3.31Å; R669-L673 PolarHBondContact O-N 3.34Å; L673-A675 PolarHBondContact O-N 3.41Å; L673-G676 PolarHBondContact O-N 2.93Å
674	E	97.6	Very high	97.6	Very high	40 Å²	40	29.8 Å²	29.8	19%	0.187	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-27.9	-176.5	-74.7	-173.8	170.4	0	0	112.4	C510 K512 R669 G676	C510-E674 WeakPolarHBondContact O-CA 3.25Å; C510-E674 WeakPolarHBondContact O-CG 3.31Å; K512-E674 HydrophobicContact CB-CB 4.45Å; K512-E674 HydrophobicContact CD-CG 4Å; K512-E674 WeakPolarHBondContact CE-OE1 3.42Å; K512-E674 HydrophobicContact CG-CG 4.37Å; K512-E674 PolarHBondContact N-O 2.95Å; K512-E674 IonicContact NZ-OE1 2.82Å; K512-E674 PolarHBondContact NZ-OE1 3.38Å; K512-E674 IonicContact NZ-OE2 3.25Å; R669-E674 HydrophobicContact CG-CG 4.33Å; R669-E674 WeakPolarHBondContact O-CG 3.43Å; R669-E674 PolarHBondContact O-N 2.89Å; E674-G676 VanDerWaalsContact C-N 3.34Å; E674-G676 PolarHBondContact O-N 3.36Å
675	A	96.9	Very high	97.6	Very high	18 Å²	18	29.8 Å²	29.8	15%	0.149	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-29.5	178.9	0	0	0	0	0	113.2	T513 L673 G677 A678 V679 M684	T513-A675 WeakPolarHBondContact CG2-O 3.48Å; L673-A675 PolarHBondContact O-N 3.41Å; A675-G677 PolarHBondContact O-N 3.48Å; A675-A678 WeakPolarHBondContact O-CB 3.36Å; A675-A678 PolarHBondContact O-N 2.89Å; A675-V679 HydrophobicContact CB-CB 4.32Å; A675-V679 HydrophobicContact CB-CG2 4.13Å; A675-M684 HydrophobicContact CB-CG 4.34Å; A675-M684 HydrophobicContact CB-SD 3.53Å; A675-M684 VanDerWaalsContact CB-SD 3.53Å
676	G	96.3	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	45.8	-136.7	-168.7	0	0	0	0	0	111.5	F518 V523 L673 E674 A678 M684	F518-G676 CarbonylContact O-C 3.45Å; F518-G676 WeakPolarHBondContact O-CA 3.43Å; V523-G676 VanDerWaalsContact CG1-C 3.48Å; V523-G676 WeakPolarHBondContact CG1-O 3.41Å; L673-G676 PolarHBondContact O-N 2.93Å; E674-G676 VanDerWaalsContact C-N 3.34Å; E674-G676 PolarHBondContact O-N 3.36Å; G676-A678 VanDerWaalsContact C-N 3.29Å; G676-A678 PolarHBondContact O-N 3.24Å; G676-M684 WeakPolarHBondContact O-CE 3.49Å
677	G	97	Very high	97.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-79.9	3.4	175.1	0	0	0	0	0	116.2	R164 F518 Q522 A675 V679	R164-G677 PolarHBondContact NE-O 3.16Å; R164-G677 PolarHBondContact NH2-O 3.01Å; F518-G677 VanDerWaalsContact CD1-O 3.23Å; F518-G677 WeakPolarHBondContact CD1-O 3.36Å; F518-G677 PolarHBondContact O-N 3.03Å; Q522-G677 WeakPolarHBondContact O-CA 3.38Å; A675-G677 PolarHBondContact O-N 3.48Å; G677-V679 PolarHBondContact O-N 3.43Å
678	A	96.6	Very high	97.6	Very high	16 Å²	16	30 Å²	30	13%	0.132	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-75.5	-15.3	-173.7	0	0	0	0	0	113	E161 R164 T513 F518 A675 G676	E161-A678 HydrophobicContact CG-CB 3.91Å; R164-A678 WeakPolarHBondContact CD-O 3.35Å; T513-A678 HydrophobicContact CG2-CB 4.04Å; F518-A678 HydrophobicContact CB-CB 4.22Å; F518-A678 HydrophobicContact CD2-CB 4.43Å; F518-A678 HydrophobicContact CG-CB 4.48Å; A675-A678 WeakPolarHBondContact O-CB 3.36Å; A675-A678 PolarHBondContact O-N 2.89Å; G676-A678 VanDerWaalsContact C-N 3.29Å; G676-A678 PolarHBondContact O-N 3.24Å
679	V	97.1	Very high	97.6	Very high	59 Å²	59	31 Å²	31	36%	0.358	17%	0.168	S	C	.	.	S	Bend	trans	-126.4	147.7	177.3	-177.1	0	0	0	0	108.1	A675 G677 D683 M684	A675-V679 HydrophobicContact CB-CB 4.32Å; A675-V679 HydrophobicContact CB-CG2 4.13Å; G677-V679 PolarHBondContact O-N 3.43Å; V679-D683 HydrophobicContact CG1-CB 3.9Å; V679-M684 HydrophobicContact CB-CG 3.89Å; V679-M684 HydrophobicContact CB-SD 4.4Å; V679-M684 HydrophobicContact CG1-CG 3.79Å
680	D	97.4	Very high	97.5	Very high	50 Å²	50	34 Å²	34	27%	0.267	20%	0.201	S	C	.	.			trans	-66.5	139.4	175.4	-76.2	-14.4	0	0	0	110.7	R164 E524 M682 D683 M684	R164-D680 IonicContact CZ-OD1 3.01Å; R164-D680 IonicContact NH1-OD1 3.33Å; R164-D680 PolarHBondContact NH1-OD1 2.97Å; R164-D680 IonicContact NH2-OD1 2.59Å; R164-D680 PolarHBondContact NH2-OD1 2.98Å; E524-D680 WeakPolarHBondContact OE1-CA 3.24Å; D680-M682 PolarHBondContact O-N 3.48Å; D680-M682 VanDerWaalsContact O-N 3.14Å; D680-D683 PolarHBondContact O-N 2.89Å; D680-M684 PolarHBondContact O-N 3.09Å; D680-M684 VanDerWaalsContact O-N 3.07Å
681	G	97.2	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.7	-38.8	-177	0	0	0	0	0	113.7	E524 D683 M684 L685	E524-G681 PolarHBondContact OE1-N 2.73Å; E524-G681 PolarHBondContact OE2-N 2.74Å; G681-D683 VanDerWaalsContact C-N 3.34Å; G681-D683 PolarHBondContact O-N 2.72Å; G681-M684 WeakPolarHBondContact O-CB 3.45Å; G681-M684 PolarHBondContact O-N 3.38Å; G681-L685 WeakPolarHBondContact O-CG 3.45Å; G681-L685 PolarHBondContact O-N 3.03Å
682	M	96.8	Very high	97.2	Very high	37 Å²	37	35 Å²	35	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-34.1	178.6	-171.6	58.1	73.4	0	0	112.6	M311 W641 Y645 D680 L685 K686 P693	M311-M682 HydrophobicContact CE-CB 3.99Å; M311-M682 HydrophobicContact CE-CE 3.9Å; M311-M682 VanDerWaalsContact CE-N 3.35Å; M311-M682 HydrophobicContact CE-SD 4.39Å; W641-M682 HydrophobicContact CZ2-CE 4.42Å; Y645-M682 HydrophobicContact CE2-CE 4.06Å; D680-M682 PolarHBondContact O-N 3.48Å; D680-M682 VanDerWaalsContact O-N 3.14Å; M682-L685 PolarHBondContact O-N 3.49Å; M682-L685 HydrophobicContact SD-CD1 4.49Å; M682-K686 WeakPolarHBondContact O-CB 3.38Å; M682-K686 WeakPolarHBondContact O-CG 3.33Å; M682-K686 PolarHBondContact O-N 2.99Å; M682-P693 HydrophobicContact CE-CG 4.14Å; M682-P693 VanDerWaalsContact SD-CD 3.58Å; M682-P693 HydrophobicContact SD-CG 3.57Å; M682-P693 VanDerWaalsContact SD-CG 3.57Å
683	D	97.6	Very high	97	Very high	75 Å²	75	35.7 Å²	35.7	40%	0.401	21%	0.206	S	C	.	.	H	α-helix	trans	-74.4	-34.4	177.3	-69	-23.7	0	0	0	111.2	V679 D680 G681 K686 S687	V679-D683 HydrophobicContact CG1-CB 3.9Å; D680-D683 PolarHBondContact O-N 2.89Å; G681-D683 VanDerWaalsContact C-N 3.34Å; G681-D683 PolarHBondContact O-N 2.72Å; D683-K686 PolarHBondContact O-N 2.83Å; D683-S687 VanDerWaalsContact O-CB 3.25Å; D683-S687 WeakPolarHBondContact O-CB 3.35Å; D683-S687 PolarHBondContact O-N 2.96Å; D683-S687 PolarHBondContact O-OG 3.13Å
684	M	98.2	Very high	96.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-47.1	170.1	-65.1	-166.6	-83.6	0	0	111.1	V523 F527 I672 A675 G676 V679 D680 G681 S687 F688	V523-M684 HydrophobicContact CG1-CE 4.3Å; F527-M684 HydrophobicContact CD1-CE 3.81Å; F527-M684 HydrophobicContact CE1-CE 3.37Å; F527-M684 HydrophobicContact CE1-SD 4.32Å; F527-M684 HydrophobicContact CZ-CB 4.35Å; F527-M684 HydrophobicContact CZ-CE 3.82Å; F527-M684 HydrophobicContact CZ-SD 4.47Å; I672-M684 HydrophobicContact CD1-CB 3.98Å; A675-M684 HydrophobicContact CB-CG 4.34Å; A675-M684 HydrophobicContact CB-SD 3.53Å; A675-M684 VanDerWaalsContact CB-SD 3.53Å; G676-M684 WeakPolarHBondContact O-CE 3.49Å; V679-M684 HydrophobicContact CB-CG 3.89Å; V679-M684 HydrophobicContact CB-SD 4.4Å; V679-M684 HydrophobicContact CG1-CG 3.79Å; D680-M684 PolarHBondContact O-N 3.09Å; D680-M684 VanDerWaalsContact O-N 3.07Å; G681-M684 WeakPolarHBondContact O-CB 3.45Å; G681-M684 PolarHBondContact O-N 3.38Å; M684-S687 PolarHBondContact O-N 3.4Å; M684-F688 WeakPolarHBondContact O-CB 3.44Å; M684-F688 PolarHBondContact O-N 2.89Å
685	L	97.9	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-49.4	175.7	-70.1	177.6	0	0	0	112.1	M311 F527 V530 Y645 I649 G681 M682 S687 F688 L689 P693	M311-L685 HydrophobicContact CE-CD1 3.46Å; M311-L685 VanDerWaalsContact CE-CD1 3.46Å; M311-L685 HydrophobicContact CE-CG 4.38Å; F527-L685 HydrophobicContact CE2-CD1 4.35Å; F527-L685 HydrophobicContact CE2-CD2 3.96Å; F527-L685 HydrophobicContact CE2-CG 3.88Å; V530-L685 HydrophobicContact CG1-CD2 4.27Å; Y645-L685 HydrophobicContact CD2-CD1 3.52Å; Y645-L685 HydrophobicContact CE2-CD1 4.15Å; Y645-L685 HydrophobicContact CG-CD1 3.9Å; I649-L685 HydrophobicContact CD1-CD2 3.64Å; I649-L685 HydrophobicContact CG1-CD2 4.02Å; G681-L685 WeakPolarHBondContact O-CG 3.45Å; G681-L685 PolarHBondContact O-N 3.03Å; M682-L685 PolarHBondContact O-N 3.49Å; M682-L685 HydrophobicContact SD-CD1 4.49Å; L685-S687 VanDerWaalsContact C-N 3.32Å; L685-S687 PolarHBondContact O-N 3.15Å; L685-F688 PolarHBondContact O-N 2.9Å; L685-L689 VanDerWaalsContact O-CB 3.3Å; L685-L689 WeakPolarHBondContact O-CB 3.44Å; L685-L689 WeakPolarHBondContact O-CG 3.37Å; L685-L689 PolarHBondContact O-N 3.21Å; L685-P693 HydrophobicContact CB-CG 4.29Å; L685-P693 HydrophobicContact CD1-CB 4.22Å; L685-P693 HydrophobicContact CD1-CG 3.89Å
686	K	98	Very high	95.8	Very high	63 Å²	63	39.9 Å²	39.9	27%	0.274	23%	0.229	S	C	.	.	H	α-helix	trans	-59.2	-44.1	178.2	-79.4	-176	-110.8	-94.8	0	112.4	M682 D683 F688 G690 R691 E692	M682-K686 WeakPolarHBondContact O-CB 3.38Å; M682-K686 WeakPolarHBondContact O-CG 3.33Å; M682-K686 PolarHBondContact O-N 2.99Å; D683-K686 PolarHBondContact O-N 2.83Å; K686-F688 VanDerWaalsContact C-N 3.35Å; K686-G690 WeakPolarHBondContact O-CA 3.43Å; K686-G690 PolarHBondContact O-N 3.47Å; K686-R691 WeakPolarHBondContact CA-O 3.48Å; K686-R691 PolarHBondContact O-N 3.32Å; K686-E692 VanDerWaalsContact CD-OE1 3.29Å; K686-E692 WeakPolarHBondContact CD-OE1 3.21Å; K686-E692 WeakPolarHBondContact CE-OE1 3.35Å; K686-E692 IonicContact NZ-OE1 3.5Å; K686-E692 PolarHBondContact NZ-OE1 3.47Å; K686-E692 IonicContact NZ-OE2 2.81Å; K686-E692 PolarHBondContact NZ-OE2 2.94Å
687	S	97.8	Very high	95.6	Very high	80 Å²	80	40 Å²	40	56%	0.559	23%	0.23	S	C	*	.	H	α-helix	trans	-63.5	-42.4	179.8	-61.7	0	0	0	0	111.2	D683 M684 L685	D683-S687 VanDerWaalsContact O-CB 3.25Å; D683-S687 WeakPolarHBondContact O-CB 3.35Å; D683-S687 PolarHBondContact O-N 2.96Å; D683-S687 PolarHBondContact O-OG 3.13Å; M684-S687 PolarHBondContact O-N 3.4Å; L685-S687 VanDerWaalsContact C-N 3.32Å; L685-S687 PolarHBondContact O-N 3.15Å
688	F	98	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-75.8	-38	179.5	-169.7	-108.3	0	0	0	112.7	I649 R653 F654 V664 E667 Y668 V671 I672 M684 L685 K686	I649-F688 HydrophobicContact CG1-CD1 4.37Å; I649-F688 HydrophobicContact CG2-CD1 3.99Å; I649-F688 HydrophobicContact CG2-CE1 3.58Å; R653-F688 HydrophobicContact CB-CE1 3.79Å; R653-F688 HydrophobicContact CB-CZ 4.07Å; R653-F688 HydrophobicContact CG-CD1 4.01Å; R653-F688 HydrophobicContact CG-CE1 3.49Å; R653-F688 VanDerWaalsContact CG-CE1 3.49Å; R653-F688 HydrophobicContact CG-CZ 4.02Å; R653-F688 PolarHBondContact NH1-O 2.85Å; F654-F688 HydrophobicContact CE2-CE1 4.43Å; F654-F688 HydrophobicContact CE2-CZ 4.26Å; V664-F688 HydrophobicContact CG1-CZ 4.08Å; E667-F688 HydrophobicContact CB-CE2 4.07Å; E667-F688 HydrophobicContact CG-CD2 4.13Å; E667-F688 HydrophobicContact CG-CE2 3.93Å; Y668-F688 VanDerWaalsContact CA-CE2 3.45Å; Y668-F688 HydrophobicContact CD2-CZ 4.45Å; Y668-F688 VanDerWaalsContact N-CE2 3.34Å; V671-F688 HydrophobicContact CB-CB 4.37Å; V671-F688 HydrophobicContact CB-CD2 4.14Å; V671-F688 HydrophobicContact CG1-CB 3.81Å; V671-F688 HydrophobicContact CG1-CD2 4.49Å; V671-F688 HydrophobicContact CG2-CD2 4.49Å; I672-F688 HydrophobicContact CD1-CB 3.91Å; I672-F688 HydrophobicContact CD1-CG 4.33Å; I672-F688 HydrophobicContact CG1-CB 4.31Å; I672-F688 HydrophobicContact CG1-CG 4.23Å; M684-F688 WeakPolarHBondContact O-CB 3.44Å; M684-F688 PolarHBondContact O-N 2.89Å; L685-F688 PolarHBondContact O-N 2.9Å; K686-F688 VanDerWaalsContact C-N 3.35Å
689	L	97.4	Very high	94.9	Very high	21 Å²	21	39.2 Å²	39.2	11%	0.11	22%	0.223	C	C	.	.	H	α-helix	trans	-83.4	-20.4	-178.4	-67.2	170.8	0	0	0	113	R653 L685 R691 P693	R653-L689 HydrophobicContact CG-CD2 4.27Å; L685-L689 VanDerWaalsContact O-CB 3.3Å; L685-L689 WeakPolarHBondContact O-CB 3.44Å; L685-L689 WeakPolarHBondContact O-CG 3.37Å; L685-L689 PolarHBondContact O-N 3.21Å; L689-R691 HydrophobicContact CB-CG 4.14Å; L689-R691 PolarHBondContact O-N 3.04Å; L689-P693 HydrophobicContact CD1-CB 3.78Å
690	G	97.2	Very high	94.3	Very high	72 Å²	72	40.8 Å²	40.8	74%	0.742	23%	0.227	S	C	*	.	S	Bend	trans	71.4	11.1	-169.8	0	0	0	0	0	113.7	K686	K686-G690 WeakPolarHBondContact O-CA 3.43Å; K686-G690 PolarHBondContact O-N 3.47Å
691	R	96.7	Very high	93.4	Very high	96 Å²	96	39.6 Å²	39.6	36%	0.362	22%	0.222	S	C	.	.	S	Bend	trans	-162.4	169.8	-178.9	57.4	164	177.5	77.6	-1.1	110.2	D648 S652 K686 L689	D648-R691 IonicContact OD1-CZ 3.31Å; D648-R691 IonicContact OD1-NH1 2.75Å; D648-R691 IonicContact OD1-NH2 3.19Å; D648-R691 PolarHBondContact OD1-NH2 3.26Å; D648-R691 IonicContact OD2-CZ 3.52Å; D648-R691 IonicContact OD2-NH1 3.58Å; D648-R691 PolarHBondContact OD2-NH1 3.13Å; D648-R691 IonicContact OD2-NH2 2.66Å; D648-R691 PolarHBondContact OD2-NH2 3.24Å; S652-R691 PolarHBondContact OG-NH2 3.47Å; K686-R691 WeakPolarHBondContact CA-O 3.48Å; K686-R691 PolarHBondContact O-N 3.32Å; L689-R691 HydrophobicContact CB-CG 4.14Å; L689-R691 PolarHBondContact O-N 3.04Å
692	E	94.1	Very high	92.6	Very high	104 Å²	104	40.7 Å²	40.7	49%	0.486	23%	0.227	S	C	.	.			trans	-58.1	142.9	167.2	-62.3	-66.9	169.6	0	0	111.3	K686	K686-E692 VanDerWaalsContact CD-OE1 3.29Å; K686-E692 WeakPolarHBondContact CD-OE1 3.21Å; K686-E692 WeakPolarHBondContact CE-OE1 3.35Å; K686-E692 IonicContact NZ-OE1 3.5Å; K686-E692 PolarHBondContact NZ-OE1 3.47Å; K686-E692 IonicContact NZ-OE2 2.81Å; K686-E692 PolarHBondContact NZ-OE2 2.94Å
693	P	93.2	Very high	91.5	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.104	24%	0.244	C	C	.	.			trans	-68	148.5	173.7	31.1	-35.9	0	0	0	110.9	Y645 D648 M682 L685 L689	Y645-P693 HydrophobicContact CD1-CB 3.62Å; Y645-P693 HydrophobicContact CD1-CG 4.07Å; Y645-P693 HydrophobicContact CD2-CG 4.5Å; Y645-P693 HydrophobicContact CE1-CB 3.8Å; Y645-P693 HydrophobicContact CE1-CG 3.85Å; Y645-P693 HydrophobicContact CE2-CG 4.25Å; Y645-P693 HydrophobicContact CG-CB 4.11Å; Y645-P693 HydrophobicContact CG-CG 4.4Å; D648-P693 WeakPolarHBondContact OD2-CA 3.45Å; M682-P693 HydrophobicContact CE-CG 4.14Å; M682-P693 VanDerWaalsContact SD-CD 3.58Å; M682-P693 HydrophobicContact SD-CG 3.57Å; M682-P693 VanDerWaalsContact SD-CG 3.57Å; L685-P693 HydrophobicContact CB-CG 4.29Å; L685-P693 HydrophobicContact CD1-CB 4.22Å; L685-P693 HydrophobicContact CD1-CG 3.89Å; L689-P693 HydrophobicContact CD1-CB 3.78Å
694	C	89.3	Confident	90.5	Very high	40 Å²	40	38.5 Å²	38.5	27%	0.27	23%	0.228	S	C	.	.			trans	-136.4	165.2	179.2	75.6	0	0	0	0	112.5	D648 D696	D648-C694 PolarHBondContact OD2-N 3.49Å; C694-D696 VanDerWaalsContact C-N 3.33Å
695	Q	89.9	Confident	89.4	Confident	29 Å²	29	41.8 Å²	41.8	14%	0.136	25%	0.248	C	C	.	.	S	Bend	trans	-81.2	-11.7	-177	-48.9	-172.2	-27.3	0	0	113.5	F321 V644 A697 F698 F699	F321-Q695 HydrophobicContact CE2-CG 4.45Å; F321-Q695 VanDerWaalsContact CE2-NE2 3.32Å; F321-Q695 PolarHBondContact O-NE2 3.46Å; V644-Q695 HydrophobicContact CG1-CB 3.97Å; V644-Q695 HydrophobicContact CG1-CG 3.88Å; Q695-A697 VanDerWaalsContact C-N 3.35Å; Q695-A697 PolarHBondContact O-N 3.19Å; Q695-F698 WeakPolarHBondContact O-CB 3.48Å; Q695-F698 PolarHBondContact O-N 2.84Å; Q695-F698 VanDerWaalsContact O-N 3.1Å; Q695-F699 HydrophobicContact CB-CD2 4.3Å; Q695-F699 HydrophobicContact CB-CE2 4.05Å; Q695-F699 VanDerWaalsContact O-CD2 3.31Å; Q695-F699 WeakPolarHBondContact O-CD2 3.48Å; Q695-F699 PolarHBondContact O-N 3.32Å
696	D	89.2	Confident	87.2	Confident	77 Å²	77	48 Å²	48	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-63.6	-39	-166.1	-66.3	-29.5	0	0	0	113.7	R328 C694 F698 F699 Q700	R328-D696 IonicContact CZ-OD1 2.72Å; R328-D696 IonicContact NH1-OD1 2.73Å; R328-D696 PolarHBondContact NH1-OD1 3.01Å; R328-D696 IonicContact NH2-OD1 3.15Å; R328-D696 PolarHBondContact NH2-OD1 3.21Å; C694-D696 VanDerWaalsContact C-N 3.33Å; D696-F698 VanDerWaalsContact C-N 3.3Å; D696-F698 PolarHBondContact O-N 3.29Å; D696-F699 PolarHBondContact O-N 3.03Å; D696-Q700 WeakPolarHBondContact O-CG 3.44Å; D696-Q700 PolarHBondContact O-N 3.12Å
697	A	90.1	Very high	84.5	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-40.6	175.8	0	0	0	0	0	112.4	D648 F651 Q695 F699 Q700 C701	D648-A697 VanDerWaalsContact CA-CB 3.46Å; D648-A697 HydrophobicContact CB-CB 4.06Å; F651-A697 HydrophobicContact CB-CB 3.7Å; F651-A697 HydrophobicContact CD1-CB 4.21Å; F651-A697 HydrophobicContact CG-CB 4.16Å; Q695-A697 VanDerWaalsContact C-N 3.35Å; Q695-A697 PolarHBondContact O-N 3.19Å; A697-F699 PolarHBondContact O-N 3.44Å; A697-Q700 PolarHBondContact O-N 3.39Å; A697-C701 WeakPolarHBondContact O-CB 3.45Å; A697-C701 PolarHBondContact O-N 3.41Å; A697-C701 PolarHBondContact O-SG 3.05Å
698	F	90.9	Very high	81.5	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-50.8	176.7	177.2	-83.2	0	0	0	111	F325 E643 V644 M647 Q695 D696 Q700 C701 K702 L704	F325-F698 AromaticContact CE2-CD1 3.52Å; F325-F698 HydrophobicContact CE2-CD1 3.52Å; F325-F698 AromaticContact CE2-CE1 3.44Å; F325-F698 HydrophobicContact CE2-CE1 3.44Å; F325-F698 VanDerWaalsContact CE2-CE1 3.44Å; F325-F698 HydrophobicContact CE2-CG 4.16Å; F325-F698 AromaticContact CE2-CZ 3.99Å; F325-F698 HydrophobicContact CE2-CZ 3.99Å; F325-F698 AromaticContact CZ-CD1 3.9Å; F325-F698 HydrophobicContact CZ-CD1 3.9Å; F325-F698 AromaticContact CZ-CE1 3.28Å; F325-F698 HydrophobicContact CZ-CE1 3.28Å; F325-F698 HydrophobicContact CZ-CE2 4.34Å; F325-F698 AromaticContact CZ-CZ 3.54Å; F325-F698 HydrophobicContact CZ-CZ 3.54Å; E643-F698 HydrophobicContact CG-CD2 4.31Å; E643-F698 HydrophobicContact CG-CE2 3.9Å; V644-F698 HydrophobicContact CG1-CB 4.4Å; V644-F698 HydrophobicContact CG2-CB 4.2Å; V644-F698 HydrophobicContact CG2-CD2 3.83Å; V644-F698 HydrophobicContact CG2-CE2 4.36Å; V644-F698 HydrophobicContact CG2-CG 3.95Å; M647-F698 HydrophobicContact CB-CB 4.16Å; M647-F698 HydrophobicContact CB-CD2 4.47Å; M647-F698 HydrophobicContact CG-CB 4.46Å; M647-F698 HydrophobicContact CG-CD2 3.92Å; Q695-F698 WeakPolarHBondContact O-CB 3.48Å; Q695-F698 PolarHBondContact O-N 2.84Å; Q695-F698 VanDerWaalsContact O-N 3.1Å; D696-F698 VanDerWaalsContact C-N 3.3Å; D696-F698 PolarHBondContact O-N 3.29Å; F698-Q700 VanDerWaalsContact C-N 3.34Å; F698-Q700 PolarHBondContact O-N 2.9Å; F698-C701 PolarHBondContact O-N 3Å; F698-K702 HydrophobicContact CD1-CG 4.3Å; F698-K702 HydrophobicContact CD2-CG 4.47Å; F698-K702 HydrophobicContact CE1-CB 4.5Å; F698-K702 HydrophobicContact CE1-CG 3.98Å; F698-K702 HydrophobicContact CE2-CG 4.19Å; F698-K702 HydrophobicContact CZ-CG 3.93Å; F698-K702 WeakPolarHBondContact O-CB 3.32Å; F698-K702 VanDerWaalsContact O-CG 3.27Å; F698-K702 WeakPolarHBondContact O-CG 3.36Å; F698-K702 PolarHBondContact O-N 3.18Å; F698-L704 HydrophobicContact CE1-CD1 4.07Å
699	F	88	Confident	78.3	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-35.4	-178.2	-72.4	-89.8	0	0	0	112.2	F325 R328 L329 Q695 D696 A697 G703 L704	F325-F699 AromaticContact CD2-CE2 3.65Å; F325-F699 HydrophobicContact CD2-CE2 3.65Å; F325-F699 AromaticContact CD2-CZ 3.53Å; F325-F699 HydrophobicContact CD2-CZ 3.53Å; F325-F699 AromaticContact CE2-CE2 3.76Å; F325-F699 HydrophobicContact CE2-CE2 3.76Å; F325-F699 AromaticContact CE2-CZ 3.64Å; F325-F699 HydrophobicContact CE2-CZ 3.64Å; F325-F699 HydrophobicContact CG-CZ 4.18Å; F325-F699 HydrophobicContact CZ-CZ 4.37Å; R328-F699 HydrophobicContact CB-CD1 4.02Å; R328-F699 HydrophobicContact CB-CE1 3.27Å; R328-F699 HydrophobicContact CB-CE2 4.18Å; R328-F699 HydrophobicContact CB-CZ 3.37Å; R328-F699 HydrophobicContact CG-CE1 4.31Å; R328-F699 HydrophobicContact CG-CE2 4.47Å; R328-F699 HydrophobicContact CG-CZ 4.1Å; R328-F699 VanDerWaalsContact CZ-CE2 3.49Å; R328-F699 VanDerWaalsContact CZ-CG 3.44Å; R328-F699 VanDerWaalsContact NE-CE2 3.29Å; R328-F699 VanDerWaalsContact NH2-CB 3.34Å; R328-F699 VanDerWaalsContact NH2-CD2 3.35Å; L329-F699 HydrophobicContact CD2-CE1 3.93Å; L329-F699 HydrophobicContact CG-CE1 4.08Å; L329-F699 HydrophobicContact CG-CZ 4.46Å; Q695-F699 HydrophobicContact CB-CD2 4.3Å; Q695-F699 HydrophobicContact CB-CE2 4.05Å; Q695-F699 VanDerWaalsContact O-CD2 3.31Å; Q695-F699 WeakPolarHBondContact O-CD2 3.48Å; Q695-F699 PolarHBondContact O-N 3.32Å; D696-F699 PolarHBondContact O-N 3.03Å; A697-F699 PolarHBondContact O-N 3.44Å; F699-G703 PolarHBondContact O-N 3.5Å; F699-L704 HydrophobicContact CB-CB 4.18Å; F699-L704 HydrophobicContact CD1-CB 3.66Å; F699-L704 HydrophobicContact CD1-CD1 4.07Å; F699-L704 HydrophobicContact CE1-CD1 4.4Å; F699-L704 HydrophobicContact CG-CB 4.38Å; F699-L704 WeakPolarHBondContact O-CA 3.48Å; F699-L704 WeakPolarHBondContact O-CB 3.44Å; F699-L704 PolarHBondContact O-N 3.12Å
700	Q	85.3	Confident	75	Confident	92 Å²	92	71.9 Å²	71.9	43%	0.43	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-50.1	173.8	-71.5	176.4	14.7	0	0	111.4	F651 D696 A697 F698 K702 G703 T705	F651-Q700 HydrophobicContact CE2-CB 4.5Å; F651-Q700 HydrophobicContact CZ-CB 4.48Å; D696-Q700 WeakPolarHBondContact O-CG 3.44Å; D696-Q700 PolarHBondContact O-N 3.12Å; A697-Q700 PolarHBondContact O-N 3.39Å; F698-Q700 VanDerWaalsContact C-N 3.34Å; F698-Q700 PolarHBondContact O-N 2.9Å; Q700-K702 VanDerWaalsContact C-N 3.28Å; Q700-K702 PolarHBondContact O-N 3.32Å; Q700-G703 PolarHBondContact O-N 3.06Å; Q700-G703 VanDerWaalsContact O-N 3.14Å; Q700-T705 HydrophobicContact CB-CG2 4.48Å; Q700-T705 HydrophobicContact CG-CG2 3.69Å
701	C	78.8	Confident	73.9	Confident	26 Å²	26	71.9 Å²	71.9	18%	0.176	41%	0.407	C	S	.	.	H	α-helix	trans	-62.6	-34.7	-179.2	-69.1	0	0	0	0	112.8	M647 F651 A697 F698 G703	M647-C701 HydrophobicContact SD-CB 4.16Å; F651-C701 WeakPolarHBondContact CD2-SG 3.42Å; A697-C701 WeakPolarHBondContact O-CB 3.45Å; A697-C701 PolarHBondContact O-N 3.41Å; A697-C701 PolarHBondContact O-SG 3.05Å; F698-C701 PolarHBondContact O-N 3Å; C701-G703 VanDerWaalsContact C-N 3.29Å; C701-G703 PolarHBondContact O-N 2.88Å
702	K	80.1	Confident	72.7	Confident	23 Å²	23	70.6 Å²	70.6	10%	0.1	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.3	-179.2	-61.9	-76.1	-178	165.2	0	113.1	V571 T574 E643 F698 Q700 L704	V571-K702 WeakPolarHBondContact CG1-O 3.42Å; T574-K702 HydrophobicContact CG2-CD 4.09Å; E643-K702 WeakPolarHBondContact OE1-CE 3.27Å; E643-K702 IonicContact OE1-NZ 3.35Å; E643-K702 PolarHBondContact OE1-NZ 3.11Å; F698-K702 HydrophobicContact CD1-CG 4.3Å; F698-K702 HydrophobicContact CD2-CG 4.47Å; F698-K702 HydrophobicContact CE1-CB 4.5Å; F698-K702 HydrophobicContact CE1-CG 3.98Å; F698-K702 HydrophobicContact CE2-CG 4.19Å; F698-K702 HydrophobicContact CZ-CG 3.93Å; F698-K702 WeakPolarHBondContact O-CB 3.32Å; F698-K702 VanDerWaalsContact O-CG 3.27Å; F698-K702 WeakPolarHBondContact O-CG 3.36Å; F698-K702 PolarHBondContact O-N 3.18Å; Q700-K702 VanDerWaalsContact C-N 3.28Å; Q700-K702 PolarHBondContact O-N 3.32Å; K702-L704 VanDerWaalsContact C-N 3.29Å; K702-L704 HydrophobicContact CB-CD1 3.62Å; K702-L704 HydrophobicContact CB-CG 3.63Å; K702-L704 WeakPolarHBondContact O-CD2 3.45Å; K702-L704 WeakPolarHBondContact O-CG 3.49Å; K702-L704 PolarHBondContact O-N 3.39Å
703	G	74.1	Confident	71.6	Confident	52 Å²	52	68.7 Å²	68.7	54%	0.536	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	29.8	179.7	0	0	0	0	0	113.5	F699 Q700 C701	F699-G703 PolarHBondContact O-N 3.5Å; Q700-G703 PolarHBondContact O-N 3.06Å; Q700-G703 VanDerWaalsContact O-N 3.14Å; C701-G703 VanDerWaalsContact C-N 3.29Å; C701-G703 PolarHBondContact O-N 2.88Å
704	L	77	Confident	70.3	Confident	14 Å²	14	71.8 Å²	71.8	7%	0.073	42%	0.423	C	S	.	.			trans	-105	11.4	-170.7	-57.8	-177.6	0	0	0	113.2	L329 I332 T574 F698 F699 K702	L329-L704 HydrophobicContact CD2-CD1 3.58Å; I332-L704 HydrophobicContact CD1-CB 3.62Å; I332-L704 HydrophobicContact CD1-CD1 4.43Å; I332-L704 HydrophobicContact CD1-CD2 3.74Å; I332-L704 HydrophobicContact CD1-CG 4.09Å; I332-L704 HydrophobicContact CG1-CD2 4.24Å; I332-L704 HydrophobicContact CG2-CD2 3.9Å; T574-L704 WeakPolarHBondContact OG1-CD2 3.39Å; F698-L704 HydrophobicContact CE1-CD1 4.07Å; F699-L704 HydrophobicContact CB-CB 4.18Å; F699-L704 HydrophobicContact CD1-CB 3.66Å; F699-L704 HydrophobicContact CD1-CD1 4.07Å; F699-L704 HydrophobicContact CE1-CD1 4.4Å; F699-L704 HydrophobicContact CG-CB 4.38Å; F699-L704 WeakPolarHBondContact O-CA 3.48Å; F699-L704 WeakPolarHBondContact O-CB 3.44Å; F699-L704 PolarHBondContact O-N 3.12Å; K702-L704 VanDerWaalsContact C-N 3.29Å; K702-L704 HydrophobicContact CB-CD1 3.62Å; K702-L704 HydrophobicContact CB-CG 3.63Å; K702-L704 WeakPolarHBondContact O-CD2 3.45Å; K702-L704 WeakPolarHBondContact O-CG 3.49Å; K702-L704 PolarHBondContact O-N 3.39Å
705	T	74.1	Confident	69.1	Low	70 Å²	70	73.8 Å²	73.8	43%	0.429	43%	0.433	S	S	.	.	S	Bend	trans	-79.4	139.3	171.7	51.5	0	0	0	0	110.6	Q700 T707	Q700-T705 HydrophobicContact CB-CG2 4.48Å; Q700-T705 HydrophobicContact CG-CG2 3.69Å; T705-T707 PolarHBondContact O-N 2.74Å
706	D	52.3	Low	67.7	Low	131 Å²	131	76.8 Å²	76.8	70%	0.701	45%	0.453	S	S	*	.			trans	-55.8	123.7	167.5	-88.8	-32.1	0	0	0	109	K708	D706-K708 PolarHBondContact O-N 3.18Å
707	T	41.3	Very low	66.2	Low	143 Å²	143	76.8 Å²	76.8	88%	0.877	46%	0.456	S	S	*	.	S	Bend	trans	-70.1	48.3	171	41.4	0	0	0	0	111.5	T705	T705-T707 PolarHBondContact O-N 2.74Å
708	K	34.8	Very low	64.3	Low	183 Å²	183	82.5 Å²	82.5	80%	0.796	49%	0.489	S	S	*	.			trans	-146.5	73.3	173.4	-74	-167.4	177.9	-177.3	0	109.2	D706	D706-K708 PolarHBondContact O-N 3.18Å
709	T	31	Very low	62.1	Low	146 Å²	146	89.4 Å²	89.4	90%	0.896	53%	0.53	S	S	*	.			trans	-159.6	77.8	151.9	8.5	0	0	0	0	107.8
710	S	28.6	Very low	59.8	Low	193 Å²	193	97.5 Å²	97.5	100%	1.35	58%	0.578	S	S	*	*			trans	-132.7	0	154.8	60.4	0	0	0	0	106.8

Retrieved 710 of 710 residues in 142.2 ms (Link to these results)

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