A0A087XN24_POEFO Loading...

7-dehydrocholesterol reductase

Catalyzes the last step of the cholesterol synthesis pathway, which transforms cholesta-5,7-dien-3beta-ol (7-dehydrocholesterol,7-DHC) into cholesterol by reducing the C7-C8 double bond of its sterol core. Can also metabolize cholesta-5,7,24-trien-3beta-ol (7-dehydrodemosterol, 7-DHD) to desmosterol, which is then metabolized by the Delta(24)-sterol reductase (DHCR24) to cholesterol. Modulates ferroptosis (a form of regulated cell death driven by iron-dependent lipid peroxidation) through the metabolic breakdown of the anti-ferroptotic metabolites 7-DHC and 7-DHD which, when accumulated, divert the propagation of peroxyl radical-mediated damage from phospholipid components to its sterol core, protecting plasma and mitochondrial membranes from phospholipid autoxidation.

AlphaFold DB , UniProt , Accession A0A087XN24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 478 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	31.5	Very low	26	Very low	190 Å²	190	163.6 Å²	163.6	100%	1.152	87%	0.866	S	S	*	*				0	105.8	0	174.4	0	0	0	0	107.3
2	K	27.6	Very low	26.1	Very low	195 Å²	195	170.3 Å²	170.3	85%	0.848	87%	0.87	S	S	*	*			trans	54.5	112.9	153	-61	-179.3	173.1	-175.6	0	119
3	A	23	Very low	26	Very low	93 Å²	93	175.5 Å²	175.5	77%	0.769	87%	0.873	S	S	*	*				69.2	106.1	65.2	0	0	0	0	0	111.4
4	A	24	Very low	26.2	Very low	93 Å²	93	172 Å²	172	77%	0.769	87%	0.869	S	S	*	*				82	120.9	81.9	0	0	0	0	0	112.6
5	E	26.2	Very low	26.1	Very low	188 Å²	188	172.8 Å²	172.8	88%	0.879	87%	0.868	S	S	*	*				-179.6	117.6	127.1	-100.9	173.7	-176.6	0	0	111.8
6	T	25	Very low	26.2	Very low	146 Å²	146	174.3 Å²	174.3	90%	0.896	87%	0.871	S	S	*	*			trans	-90.3	122.9	168.7	-29.2	0	0	0	0	106.9
7	M	26.7	Very low	26.3	Very low	188 Å²	188	174.8 Å²	174.8	93%	0.926	87%	0.87	S	S	*	*			trans	-105.5	105.4	174.7	-110.8	-171.6	171.9	0	0	111.2
8	E	23.6	Very low	26.7	Very low	171 Å²	171	170.2 Å²	170.2	80%	0.799	86%	0.863	S	S	*	*			trans	-80.3	115.4	169.3	-170	-179.9	-152.5	0	0	109.2
9	S	26.2	Very low	26.6	Very low	114 Å²	114	170.3 Å²	170.3	80%	0.797	87%	0.866	S	S	*	*			trans	-96.6	93.7	177.2	152.3	0	0	0	0	110.6	R11	S9-R11 PolarHBondContact O-N 3.33Å
10	K	25.6	Very low	26.6	Very low	174 Å²	174	165.5 Å²	165.5	76%	0.757	86%	0.861	S	S	*	*			trans	-57.9	115.1	166.7	-79.9	173.1	175.6	169.4	0	111.2	R12	K10-R12 PolarHBondContact O-N 2.93Å
11	R	27.1	Very low	27	Very low	248 Å²	248	168.5 Å²	168.5	94%	0.936	87%	0.867	S	S	*	*			trans	-70.9	111.1	165.3	-105.2	179.1	174.6	177.9	-1.7	109.5	S9	S9-R11 PolarHBondContact O-N 3.33Å
12	R	26.9	Very low	26.7	Very low	243 Å²	243	162.4 Å²	162.4	92%	0.917	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-64.1	133.4	176.1	-72.5	176.8	171.3	179.9	-3.5	111.2	K10	K10-R12 PolarHBondContact O-N 2.93Å
13	R	24	Very low	26.8	Very low	239 Å²	239	159.2 Å²	159.2	90%	0.902	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-70.7	136	161.3	-76.9	178.1	172.2	177.2	-3.3	109.3
14	P	29.3	Very low	27.1	Very low	126 Å²	126	163.1 Å²	163.1	82%	0.818	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.7	126.1	166.8	-2.8	20.6	0	0	0	110.2
15	Q	25.4	Very low	27.3	Very low	184 Å²	184	163.2 Å²	163.2	86%	0.86	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-72.6	134.7	166.1	-81.4	171	-37.2	0	0	109.8	H17	Q15-H17 PolarHBondContact O-N 3.29Å
16	H	27.8	Very low	27.5	Very low	197 Å²	197	160.1 Å²	160.1	91%	0.912	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-74	118.9	169.1	-94.2	-79.7	0	0	0	110.1
17	H	27	Very low	27.8	Very low	183 Å²	183	161.8 Å²	161.8	85%	0.847	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-103.6	130.5	157	-98.8	-59.8	0	0	0	109.2	Q15	Q15-H17 PolarHBondContact O-N 3.29Å
18	A	33	Very low	28.2	Very low	91 Å²	91	160.7 Å²	160.7	75%	0.752	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.5	123.8	176.6	0	0	0	0	0	110.7
19	N	26.3	Very low	29.1	Very low	173 Å²	173	157.1 Å²	157.1	93%	0.925	82%	0.824	S	S	*	*				172.2	132.7	129.6	-104	-14.5	0	0	0	111
20	G	26.5	Very low	30	Very low	74 Å²	74	155.5 Å²	155.5	76%	0.763	82%	0.817	S	S	*	*			trans	154.6	97.4	168.3	0	0	0	0	0	113.1	G22	G20-G22 PolarHBondContact O-N 3.31Å
21	K	34.2	Very low	31.6	Very low	228 Å²	228	152.8 Å²	152.8	99%	0.991	81%	0.807	S	S	*	*			trans	-62.5	113.3	169	-82.5	174.7	172.6	176.1	0	109.9
22	G	25.6	Very low	33.2	Very low	62 Å²	62	144.1 Å²	144.1	64%	0.639	78%	0.775	S	S	*	*			trans	-152.2	111.4	160.3	0	0	0	0	0	106.9	G20 E24	G20-G22 PolarHBondContact O-N 3.31Å; G22-E24 PolarHBondContact O-N 2.85Å
23	S	30.4	Very low	35.2	Very low	129 Å²	129	134 Å²	134	90%	0.902	75%	0.746	S	S	*	*			trans	-73.6	75.1	173.9	62.7	0	0	0	0	108.8	A25	S23-A25 PolarHBondContact O-N 3.49Å
24	E	27.9	Very low	37.6	Very low	174 Å²	174	123 Å²	123	81%	0.813	70%	0.704	S	S	*	*			trans	-70.8	105.7	157.1	-77.6	-175.9	166.8	0	0	106.1	G22 V26	G22-E24 PolarHBondContact O-N 2.85Å; E24-V26 PolarHBondContact O-N 2.9Å
25	A	28.8	Very low	39.7	Very low	96 Å²	96	118.8 Å²	118.8	79%	0.793	68%	0.68	S	S	*	*			trans	-60.5	90.7	161.7	0	0	0	0	0	106.5	S23 E27	S23-A25 PolarHBondContact O-N 3.49Å; A25-E27 VanDerWaalsContact C-N 3.28Å; A25-E27 PolarHBondContact O-N 3.47Å
26	V	29.8	Very low	41.7	Very low	123 Å²	123	115.6 Å²	115.6	75%	0.745	66%	0.66	S	S	*	*			trans	-55.3	104.2	161.1	177.7	0	0	0	0	104.4	E24 K28	E24-V26 PolarHBondContact O-N 2.9Å; V26-K28 VanDerWaalsContact C-N 3.28Å; V26-K28 PolarHBondContact O-N 3.09Å
27	E	32.8	Very low	43.9	Very low	180 Å²	180	113.9 Å²	113.9	84%	0.841	65%	0.653	S	S	*	*			trans	-50.7	101.9	166.8	-99.3	-178.5	156.2	0	0	105.9	A25 S29	A25-E27 VanDerWaalsContact C-N 3.28Å; A25-E27 PolarHBondContact O-N 3.47Å; E27-S29 PolarHBondContact O-N 3.15Å
28	K	35	Very low	46.6	Very low	166 Å²	166	106.9 Å²	106.9	72%	0.722	62%	0.622	S	S	*	*			trans	-54.3	113.8	172.9	-79.1	-175.8	176.2	-176.5	0	105.2	V26 A30	V26-K28 VanDerWaalsContact C-N 3.28Å; V26-K28 PolarHBondContact O-N 3.09Å; K28-A30 PolarHBondContact O-N 3.36Å
29	S	41.2	Very low	49.1	Very low	96 Å²	96	106.5 Å²	106.5	67%	0.671	61%	0.608	S	S	*	*			trans	-48.2	133.8	175	59.7	0	0	0	0	108.2	E27 Q31	E27-S29 PolarHBondContact O-N 3.15Å; S29-Q31 PolarHBondContact O-N 3.24Å
30	A	45.4	Very low	52	Low	79 Å²	79	107.9 Å²	107.9	65%	0.653	60%	0.6	S	S	*	*			trans	-49.4	111.4	-175.8	0	0	0	0	0	109.5	K28 W32	K28-A30 PolarHBondContact O-N 3.36Å; A30-W32 PolarHBondContact O-N 3.1Å
31	Q	59.3	Low	54.9	Low	117 Å²	117	112.4 Å²	112.4	55%	0.547	60%	0.599	S	S	.	*			trans	-71.5	105.9	-173.9	-69.9	-173.3	-6.4	0	0	108.6	S29	S29-Q31 PolarHBondContact O-N 3.24Å
32	W	61	Low	57.4	Low	67 Å²	67	103.3 Å²	103.3	25%	0.254	56%	0.564	S	S	.	*			trans	-83.7	143.3	-175.4	-178.8	102.7	0	0	0	111.8	A30 P139 K213 F228 C301 H302 H304	A30-W32 PolarHBondContact O-N 3.1Å; W32-P139 HydrophobicContact CD2-CG 3.51Å; W32-P139 HydrophobicContact CE3-CB 4.36Å; W32-P139 HydrophobicContact CE3-CG 3.2Å; W32-P139 HydrophobicContact CG-CG 4.37Å; W32-P139 HydrophobicContact CH2-CG 3.19Å; W32-P139 VanDerWaalsContact CZ2-CD 3.48Å; W32-P139 HydrophobicContact CZ2-CG 3.5Å; W32-P139 VanDerWaalsContact CZ2-CG 3.5Å; W32-P139 HydrophobicContact CZ3-CB 4.47Å; W32-P139 HydrophobicContact CZ3-CG 3.07Å; W32-K213 PolarHBondContact O-NZ 3.48Å; W32-F228 AromaticContact CH2-CD1 3.88Å; W32-F228 HydrophobicContact CH2-CD1 3.88Å; W32-F228 AromaticContact CH2-CD2 3.7Å; W32-F228 HydrophobicContact CH2-CD2 3.7Å; W32-F228 AromaticContact CH2-CE1 3.52Å; W32-F228 HydrophobicContact CH2-CE1 3.52Å; W32-F228 AromaticContact CH2-CE2 3.36Å; W32-F228 HydrophobicContact CH2-CE2 3.36Å; W32-F228 AromaticContact CH2-CG 4Å; W32-F228 HydrophobicContact CH2-CG 4Å; W32-F228 AromaticContact CH2-CZ 3.3Å; W32-F228 HydrophobicContact CH2-CZ 3.3Å; W32-F228 HydrophobicContact CZ2-CE1 4.13Å; W32-F228 HydrophobicContact CZ2-CE2 4.22Å; W32-F228 AromaticContact CZ2-CZ 3.84Å; W32-F228 HydrophobicContact CZ2-CZ 3.84Å; W32-F228 HydrophobicContact CZ3-CD2 4.05Å; W32-F228 HydrophobicContact CZ3-CE2 4.08Å; W32-F228 HydrophobicContact CZ3-CG 4.37Å; W32-F228 HydrophobicContact CZ3-CZ 4.38Å; W32-C301 WeakPolarHBondContact CH2-O 3.23Å; W32-C301 WeakPolarHBondContact CZ2-O 3.29Å; W32-H302 AromaticContact CE2-ND1 3.58Å; W32-H302 AromaticContact CZ2-ND1 3.84Å; W32-H302 AromaticContact NE1-CE1 3.67Å; W32-H302 AromaticContact NE1-ND1 3.35Å; W32-H302 PolarHBondContact NE1-ND1 3.1Å; W32-H304 AromaticContact CZ3-CE1 3.99Å
33	G	67.7	Low	60.4	Low	30 Å²	30	101.8 Å²	101.8	31%	0.309	54%	0.541	S	S	.	.	S	Bend	trans	78.5	-145.7	173.3	0	0	0	0	0	114.8	H302	G33-H302 WeakPolarHBondContact CA-O 3.49Å
34	R	75.4	Confident	63.3	Low	8 Å²	8	100.4 Å²	100.4	3%	0.03	52%	0.523	C	S	.	.	S	Bend	trans	-63	163.7	178.8	61.4	175.2	-80.3	160.3	-2.8	113.9	K213 Y220 N221 M224 G225	R34-K213 HydrophobicContact CG-CD 4.23Å; R34-Y220 PolarHBondContact NH1-O 3.46Å; R34-Y220 PolarHBondContact NH2-O 3.04Å; R34-Y220 VanDerWaalsContact NH2-O 3.07Å; R34-N221 PolarHBondContact NH2-OD1 3.23Å; R34-N221 VanDerWaalsContact NH2-OD1 3.09Å; R34-M224 PolarHBondContact NH1-O 3.47Å; R34-G225 WeakPolarHBondContact CD-O 3.23Å; R34-G225 VanDerWaalsContact NH1-C 3.32Å; R34-G225 VanDerWaalsContact NH1-N 3.18Å; R34-G225 PolarHBondContact NH1-O 2.9Å
35	A	72.6	Confident	66.3	Low	37 Å²	37	93.5 Å²	93.5	31%	0.306	50%	0.499	S	S	.	.			trans	-64.3	145.8	179.7	0	0	0	0	0	112.2	T215 Y220	A35-T215 WeakPolarHBondContact O-CG2 3.32Å; A35-Y220 HydrophobicContact CB-CE1 4.26Å; A35-Y220 WeakPolarHBondContact CB-OH 3.18Å; A35-Y220 PolarHBondContact N-OH 2.84Å
36	W	67.9	Low	69.3	Low	117 Å²	117	89.4 Å²	89.4	44%	0.443	46%	0.464	S	S	.	.	S	Bend	trans	-93.1	-33.3	178.1	-69.1	83.3	0	0	0	112.5	K213	W36-K213 HydrophobicContact CH2-CD 4.49Å; W36-K213 HydrophobicContact CZ2-CD 4.17Å
37	E	75.2	Confident	72.3	Confident	162 Å²	162	86.2 Å²	86.2	76%	0.757	44%	0.444	S	S	*	.	S	Bend	trans	-112.8	136.7	173.3	-68.5	175.6	-169.2	0	0	108
38	V	81.9	Confident	75.2	Confident	35 Å²	35	79.8 Å²	79.8	21%	0.212	42%	0.419	C	S	.	.			trans	-104.2	107.9	-179.2	-172.1	0	0	0	0	107.5	L43 T215 N217 Y220	V38-L43 HydrophobicContact CG1-CB 4Å; V38-T215 HydrophobicContact CG2-CG2 4.39Å; V38-N217 HydrophobicContact CB-CB 4.37Å; V38-N217 HydrophobicContact CG2-CB 4.04Å; V38-Y220 HydrophobicContact CB-CD1 4.48Å; V38-Y220 HydrophobicContact CB-CG 4.38Å; V38-Y220 HydrophobicContact CG1-CD1 4.49Å; V38-Y220 HydrophobicContact CG1-CD2 3.99Å; V38-Y220 HydrophobicContact CG1-CG 3.94Å; V38-Y220 HydrophobicContact CG2-CD1 3.23Å; V38-Y220 HydrophobicContact CG2-CD2 4.19Å; V38-Y220 HydrophobicContact CG2-CE1 3.93Å; V38-Y220 HydrophobicContact CG2-CG 3.48Å; V38-Y220 VanDerWaalsContact CG2-CG 3.48Å
39	D	86.8	Confident	77.9	Confident	83 Å²	83	76.1 Å²	76.1	44%	0.444	41%	0.407	S	S	.	.			trans	-76.5	162.1	172.1	72.4	-60	0	0	0	110.7	F41 S42 L43	D39-F41 PolarHBondContact O-N 3.36Å; D39-F41 VanDerWaalsContact OD2-CB 3.27Å; D39-F41 WeakPolarHBondContact OD2-CB 3.44Å; D39-F41 PolarHBondContact OD2-N 3.49Å; D39-S42 PolarHBondContact O-N 3.12Å; D39-S42 WeakPolarHBondContact OD1-CB 3.32Å; D39-S42 PolarHBondContact OD1-N 3.28Å; D39-S42 PolarHBondContact OD1-OG 2.91Å; D39-L43 PolarHBondContact O-N 3.48Å
40	W	87.4	Confident	80.4	Confident	202 Å²	202	72.7 Å²	72.7	77%	0.765	38%	0.381	S	S	*	.	H	α-helix	trans	-58.5	-35	-177.3	-78.4	105.6	0	0	0	112.9	L43 I44	W40-L43 HydrophobicContact CE3-CD2 4.27Å; W40-L43 HydrophobicContact CZ3-CD2 4.18Å; W40-L43 PolarHBondContact O-N 3.35Å; W40-I44 WeakPolarHBondContact O-CB 3.35Å; W40-I44 WeakPolarHBondContact O-CD1 3.47Å; W40-I44 WeakPolarHBondContact O-CG1 3.33Å; W40-I44 PolarHBondContact O-N 3.12Å
41	F	87.3	Confident	82.5	Confident	169 Å²	169	72 Å²	72	74%	0.741	37%	0.37	S	S	*	.	H	α-helix	trans	-67.6	-45.6	178.3	178.7	-93.7	0	0	0	111.2	D39 L43 I44 G45	D39-F41 PolarHBondContact O-N 3.36Å; D39-F41 VanDerWaalsContact OD2-CB 3.27Å; D39-F41 WeakPolarHBondContact OD2-CB 3.44Å; D39-F41 PolarHBondContact OD2-N 3.49Å; F41-L43 VanDerWaalsContact C-N 3.32Å; F41-L43 PolarHBondContact O-N 2.87Å; F41-I44 PolarHBondContact O-N 2.66Å; F41-G45 PolarHBondContact O-N 3.45Å
42	S	85.1	Confident	84.2	Confident	37 Å²	37	72.4 Å²	72.4	26%	0.259	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-41.5	174	-66.7	0	0	0	0	112.4	D39 G45 V46	D39-S42 PolarHBondContact O-N 3.12Å; D39-S42 WeakPolarHBondContact OD1-CB 3.32Å; D39-S42 PolarHBondContact OD1-N 3.28Å; D39-S42 PolarHBondContact OD1-OG 2.91Å; S42-G45 PolarHBondContact O-N 3.34Å; S42-V46 WeakPolarHBondContact O-CB 3.35Å; S42-V46 WeakPolarHBondContact O-CG2 3.32Å; S42-V46 PolarHBondContact O-N 3.39Å
43	L	89.3	Confident	85.8	Confident	30 Å²	30	69.4 Å²	69.4	16%	0.157	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-48.2	178.4	-179	56.7	0	0	0	112	V38 D39 W40 F41 G45 V46 V47 N217 F219	V38-L43 HydrophobicContact CG1-CB 4Å; D39-L43 PolarHBondContact O-N 3.48Å; W40-L43 HydrophobicContact CE3-CD2 4.27Å; W40-L43 HydrophobicContact CZ3-CD2 4.18Å; W40-L43 PolarHBondContact O-N 3.35Å; F41-L43 VanDerWaalsContact C-N 3.32Å; F41-L43 PolarHBondContact O-N 2.87Å; L43-G45 VanDerWaalsContact C-N 3.29Å; L43-G45 PolarHBondContact O-N 3.07Å; L43-V46 PolarHBondContact O-N 3.12Å; L43-V47 HydrophobicContact CD1-CG2 4.08Å; L43-V47 WeakPolarHBondContact O-CG2 3.19Å; L43-V47 PolarHBondContact O-N 2.53Å; L43-N217 VanDerWaalsContact CD1-ND2 3.27Å; L43-N217 WeakPolarHBondContact CD1-ND2 3.31Å; L43-N217 WeakPolarHBondContact CD1-OD1 3.44Å; L43-F219 HydrophobicContact CD1-CB 4.16Å; L43-F219 HydrophobicContact CD1-CD2 4.48Å
44	I	91.6	Very high	87.1	Confident	100 Å²	100	69.1 Å²	69.1	51%	0.513	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-43.2	177.7	-69.7	164.3	0	0	0	110.1	W40 F41 V47 S48	W40-I44 WeakPolarHBondContact O-CB 3.35Å; W40-I44 WeakPolarHBondContact O-CD1 3.47Å; W40-I44 WeakPolarHBondContact O-CG1 3.33Å; W40-I44 PolarHBondContact O-N 3.12Å; F41-I44 PolarHBondContact O-N 2.66Å; I44-V47 PolarHBondContact O-N 3.14Å; I44-S48 WeakPolarHBondContact O-CB 3.42Å; I44-S48 PolarHBondContact O-N 3.11Å; I44-S48 PolarHBondContact O-OG 3.1Å
45	G	90.9	Very high	88	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-59.7	-46.7	175.8	0	0	0	0	0	112.5	F41 S42 L43 S48 L49	F41-G45 PolarHBondContact O-N 3.45Å; S42-G45 PolarHBondContact O-N 3.34Å; L43-G45 VanDerWaalsContact C-N 3.29Å; L43-G45 PolarHBondContact O-N 3.07Å; G45-S48 PolarHBondContact O-N 2.92Å; G45-L49 WeakPolarHBondContact O-CG 3.05Å; G45-L49 PolarHBondContact O-N 3.48Å
46	V	91.9	Very high	89.1	Confident	10 Å²	10	75.8 Å²	75.8	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-49.5	177.3	162.1	0	0	0	0	112.1	S42 L43 S48 L49 L50 F219 Y220 M223	S42-V46 WeakPolarHBondContact O-CB 3.35Å; S42-V46 WeakPolarHBondContact O-CG2 3.32Å; S42-V46 PolarHBondContact O-N 3.39Å; L43-V46 PolarHBondContact O-N 3.12Å; V46-S48 VanDerWaalsContact C-N 3.29Å; V46-S48 PolarHBondContact O-N 3.44Å; V46-L49 PolarHBondContact O-N 3.43Å; V46-L50 HydrophobicContact CG1-CD1 3.86Å; V46-L50 HydrophobicContact CG1-CG 4.42Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 3.24Å; V46-F219 HydrophobicContact CG1-CB 4.26Å; V46-Y220 HydrophobicContact CG2-CD2 3.69Å; V46-Y220 HydrophobicContact CG2-CE2 4.23Å; V46-M223 HydrophobicContact CB-CB 4.43Å; V46-M223 HydrophobicContact CB-CG 4.36Å; V46-M223 HydrophobicContact CG1-CB 3.45Å; V46-M223 VanDerWaalsContact CG1-CB 3.45Å; V46-M223 HydrophobicContact CG1-CG 3.79Å; V46-M223 HydrophobicContact CG1-SD 4.09Å; V46-M223 HydrophobicContact CG2-CB 4.17Å; V46-M223 HydrophobicContact CG2-CG 3.88Å
47	V	92.8	Very high	90.4	Very high	55 Å²	55	70.2 Å²	70.2	33%	0.333	36%	0.357	S	S	.	.	H	α-helix	trans	-62.6	-41.5	179.7	172.8	0	0	0	0	110.4	L43 I44 L49 L50 C51 F219	L43-V47 HydrophobicContact CD1-CG2 4.08Å; L43-V47 WeakPolarHBondContact O-CG2 3.19Å; L43-V47 PolarHBondContact O-N 2.53Å; I44-V47 PolarHBondContact O-N 3.14Å; V47-L49 PolarHBondContact O-N 3.45Å; V47-L50 PolarHBondContact O-N 3.13Å; V47-C51 PolarHBondContact O-N 2.85Å; V47-C51 PolarHBondContact O-SG 2.98Å; V47-C51 VanDerWaalsContact O-SG 3.36Å; V47-F219 HydrophobicContact CG2-CB 4.29Å; V47-F219 HydrophobicContact CG2-CD2 4.49Å; V47-F219 HydrophobicContact CG2-CG 4.19Å
48	S	92.6	Very high	91.4	Very high	46 Å²	46	63.9 Å²	63.9	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-45.4	176.3	-59.4	0	0	0	0	111.5	I44 G45 V46 C51 F52	I44-S48 WeakPolarHBondContact O-CB 3.42Å; I44-S48 PolarHBondContact O-N 3.11Å; I44-S48 PolarHBondContact O-OG 3.1Å; G45-S48 PolarHBondContact O-N 2.92Å; V46-S48 VanDerWaalsContact C-N 3.29Å; V46-S48 PolarHBondContact O-N 3.44Å; S48-C51 PolarHBondContact O-N 3.19Å; S48-F52 WeakPolarHBondContact O-CB 3.21Å; S48-F52 WeakPolarHBondContact O-CD2 3.13Å; S48-F52 PolarHBondContact O-N 2.98Å
49	L	92.6	Very high	92.1	Very high	88 Å²	88	65 Å²	65	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-42.7	178.9	-72.4	171.2	0	0	0	112.5	G45 V46 V47 C51 A53 M223	G45-L49 WeakPolarHBondContact O-CG 3.05Å; G45-L49 PolarHBondContact O-N 3.48Å; V46-L49 PolarHBondContact O-N 3.43Å; V47-L49 PolarHBondContact O-N 3.45Å; L49-C51 VanDerWaalsContact C-N 3.26Å; L49-C51 PolarHBondContact O-N 2.79Å; L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.22Å; L49-A53 PolarHBondContact O-N 2.69Å; L49-M223 HydrophobicContact CB-CE 3.66Å; L49-M223 HydrophobicContact CB-SD 4.32Å; L49-M223 HydrophobicContact CD1-CE 3.67Å; L49-M223 HydrophobicContact CG-CE 4.32Å
50	L	92.8	Very high	92.5	Very high	25 Å²	25	61.9 Å²	61.9	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-39.2	176.2	-74	170.2	0	0	0	111.8	V46 V47 F219 Y222 M223 W307	V46-L50 HydrophobicContact CG1-CD1 3.86Å; V46-L50 HydrophobicContact CG1-CG 4.42Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 3.24Å; V47-L50 PolarHBondContact O-N 3.13Å; L50-F219 HydrophobicContact CD1-CD1 4.35Å; L50-Y222 HydrophobicContact CD2-CD1 4.1Å; L50-Y222 HydrophobicContact CD2-CE1 4.23Å; L50-M223 HydrophobicContact CD1-SD 4.45Å; L50-M223 HydrophobicContact CD2-SD 3.76Å; L50-M223 HydrophobicContact CG-SD 3.68Å; L50-W307 HydrophobicContact CD2-CB 4.26Å; L50-W307 HydrophobicContact CD2-CD2 3.48Å; L50-W307 VanDerWaalsContact CD2-CD2 3.48Å; L50-W307 HydrophobicContact CD2-CE3 3.64Å; L50-W307 HydrophobicContact CD2-CG 3.78Å; L50-W307 HydrophobicContact CD2-CH2 4.42Å; L50-W307 HydrophobicContact CD2-CZ2 4.32Å; L50-W307 HydrophobicContact CD2-CZ3 4.12Å
51	C	91.3	Very high	92.9	Very high	63 Å²	63	52.3 Å²	52.3	43%	0.426	27%	0.274	S	S	.	.	H	α-helix	trans	-77.4	-52.8	178.2	-67.6	0	0	0	0	111.9	V47 S48 L49 F55	V47-C51 PolarHBondContact O-N 2.85Å; V47-C51 PolarHBondContact O-SG 2.98Å; V47-C51 VanDerWaalsContact O-SG 3.36Å; S48-C51 PolarHBondContact O-N 3.19Å; L49-C51 VanDerWaalsContact C-N 3.26Å; L49-C51 PolarHBondContact O-N 2.79Å; C51-F55 WeakPolarHBondContact O-CD2 3.3Å; C51-F55 WeakPolarHBondContact O-CE2 3.48Å
52	F	93.8	Very high	93.3	Very high	126 Å²	126	44.4 Å²	44.4	55%	0.553	24%	0.239	S	C	*	.	H	α-helix	trans	-87.7	-28.7	-165.2	-66.7	-65.7	0	0	0	115	S48 F55 I56	S48-F52 WeakPolarHBondContact O-CB 3.21Å; S48-F52 WeakPolarHBondContact O-CD2 3.13Å; S48-F52 PolarHBondContact O-N 2.98Å; F52-F55 WeakPolarHBondContact O-CB 3.07Å; F52-F55 PolarHBondContact O-N 2.78Å; F52-F55 VanDerWaalsContact O-N 3.1Å; F52-I56 WeakPolarHBondContact O-CG1 3.46Å; F52-I56 PolarHBondContact O-N 3.39Å
53	A	95.1	Very high	93.8	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-62.6	-41.5	-175.1	0	0	0	0	0	113.5	L49 F55 I56 V57 W307 W311 W316	L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.22Å; L49-A53 PolarHBondContact O-N 2.69Å; A53-F55 VanDerWaalsContact C-N 3.31Å; A53-F55 PolarHBondContact O-N 3.4Å; A53-I56 PolarHBondContact O-N 2.8Å; A53-V57 PolarHBondContact O-N 2.85Å; A53-V57 VanDerWaalsContact O-N 3.16Å; A53-W307 HydrophobicContact CB-CH2 4.01Å; A53-W311 HydrophobicContact CB-CH2 3.8Å; A53-W311 HydrophobicContact CB-CZ3 3.75Å; A53-W316 HydrophobicContact CB-CE3 4.29Å; A53-W316 HydrophobicContact CB-CZ3 3.98Å
54	P	95.3	Very high	94.1	Very high	23 Å²	23	41.3 Å²	41.3	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-38.4	172.5	-22.1	33.2	0	0	0	113.1	V57 F58 Y192 W307 W311	P54-V57 PolarHBondContact O-N 2.06Å; P54-F58 WeakPolarHBondContact O-CB 3.48Å; P54-F58 PolarHBondContact O-N 2.96Å; P54-Y192 VanDerWaalsContact CG-OH 3.31Å; P54-Y192 WeakPolarHBondContact CG-OH 3.3Å; P54-W307 HydrophobicContact CG-CZ2 4.15Å; P54-W311 HydrophobicContact CB-CZ2 4.06Å; P54-W311 HydrophobicContact CG-CZ2 3.92Å
55	F	93.5	Very high	94.3	Very high	127 Å²	127	39.4 Å²	39.4	56%	0.557	21%	0.211	S	C	*	.	H	α-helix	trans	-66.1	-37.8	176	-67.8	-62.5	0	0	0	112.2	C51 F52 A53 F58 Y59	C51-F55 WeakPolarHBondContact O-CD2 3.3Å; C51-F55 WeakPolarHBondContact O-CE2 3.48Å; F52-F55 WeakPolarHBondContact O-CB 3.07Å; F52-F55 PolarHBondContact O-N 2.78Å; F52-F55 VanDerWaalsContact O-N 3.1Å; A53-F55 VanDerWaalsContact C-N 3.31Å; A53-F55 PolarHBondContact O-N 3.4Å; F55-F58 PolarHBondContact O-N 2.72Å; F55-Y59 WeakPolarHBondContact O-CB 3.41Å; F55-Y59 PolarHBondContact O-N 2.85Å
56	I	95.3	Very high	94.4	Very high	59 Å²	59	39.7 Å²	39.7	30%	0.303	20%	0.204	S	C	.	.	H	α-helix	trans	-60.4	-48.7	176	-68.8	166.9	0	0	0	110.2	F52 A53 Y59 F60 W316	F52-I56 WeakPolarHBondContact O-CG1 3.46Å; F52-I56 PolarHBondContact O-N 3.39Å; A53-I56 PolarHBondContact O-N 2.8Å; I56-Y59 PolarHBondContact O-N 3.37Å; I56-F60 HydrophobicContact CG2-CD1 4.25Å; I56-F60 HydrophobicContact CG2-CE1 4.08Å; I56-F60 HydrophobicContact CG2-CZ 4.49Å; I56-F60 VanDerWaalsContact O-CD1 3.25Å; I56-F60 WeakPolarHBondContact O-CD1 3.47Å; I56-F60 PolarHBondContact O-N 2.87Å; I56-W316 HydrophobicContact CG2-CH2 4.37Å; I56-W316 HydrophobicContact CG2-CZ3 4.34Å
57	V	97	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-49.7	178.5	179.2	0	0	0	0	110.7	A53 P54 Y59 F60 V61 L184 W311 V315 W316 Y319 L320	A53-V57 PolarHBondContact O-N 2.85Å; A53-V57 VanDerWaalsContact O-N 3.16Å; P54-V57 PolarHBondContact O-N 2.06Å; V57-Y59 VanDerWaalsContact C-N 3.35Å; V57-Y59 PolarHBondContact O-N 3.27Å; V57-F60 PolarHBondContact O-N 3.45Å; V57-V61 WeakPolarHBondContact O-CG2 3.27Å; V57-V61 PolarHBondContact O-N 3.44Å; V57-V61 VanDerWaalsContact O-N 3.09Å; V57-L184 HydrophobicContact CG1-CD1 3.66Å; V57-W311 HydrophobicContact CG2-CH2 3.72Å; V57-W311 HydrophobicContact CG2-CZ2 4.16Å; V57-V315 HydrophobicContact CG1-CG1 4.06Å; V57-V315 HydrophobicContact CG2-CG1 4.35Å; V57-W316 HydrophobicContact CG2-CE3 4.01Å; V57-W316 HydrophobicContact CG2-CZ3 4.45Å; V57-Y319 HydrophobicContact CG1-CD1 4.31Å; V57-Y319 HydrophobicContact CG1-CG 3.95Å; V57-L320 HydrophobicContact CG2-CD1 3.93Å; V57-L320 HydrophobicContact CG2-CD2 4.21Å; V57-L320 HydrophobicContact CG2-CG 4.02Å
58	F	95.5	Very high	94.7	Very high	28 Å²	28	44 Å²	44	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-47.8	178.2	-179.3	-96.4	0	0	0	111.8	P54 F55 F60 V61 M62 W89 A92 L184 W185	P54-F58 WeakPolarHBondContact O-CB 3.48Å; P54-F58 PolarHBondContact O-N 2.96Å; F55-F58 PolarHBondContact O-N 2.72Å; F58-F60 VanDerWaalsContact C-N 3.32Å; F58-F60 PolarHBondContact O-N 2.93Å; F58-V61 PolarHBondContact O-N 3.25Å; F58-M62 HydrophobicContact CD1-CG 3.92Å; F58-M62 HydrophobicContact CD2-CG 4.36Å; F58-M62 HydrophobicContact CE1-CG 3.51Å; F58-M62 HydrophobicContact CE1-SD 4.44Å; F58-M62 HydrophobicContact CE2-CE 4.45Å; F58-M62 HydrophobicContact CE2-CG 3.98Å; F58-M62 HydrophobicContact CE2-SD 4.13Å; F58-M62 HydrophobicContact CG-CG 4.34Å; F58-M62 HydrophobicContact CZ-CG 3.54Å; F58-M62 HydrophobicContact CZ-SD 3.88Å; F58-M62 WeakPolarHBondContact O-CB 3.41Å; F58-M62 VanDerWaalsContact O-CG 3.29Å; F58-M62 WeakPolarHBondContact O-CG 3.37Å; F58-M62 PolarHBondContact O-N 3.1Å; F58-W89 AromaticContact CE1-CE3 3.95Å; F58-W89 HydrophobicContact CE1-CE3 3.95Å; F58-W89 HydrophobicContact CE1-CZ3 4.37Å; F58-W89 HydrophobicContact CE2-CE3 4.24Å; F58-W89 HydrophobicContact CE2-CZ3 4.2Å; F58-W89 HydrophobicContact CZ-CD2 4.49Å; F58-W89 AromaticContact CZ-CE3 3.66Å; F58-W89 HydrophobicContact CZ-CE3 3.66Å; F58-W89 HydrophobicContact CZ-CZ3 4.04Å; F58-A92 HydrophobicContact CE2-CB 3.97Å; F58-A92 HydrophobicContact CZ-CB 3.77Å; F58-L184 HydrophobicContact CD2-CD2 4.16Å; F58-W185 HydrophobicContact CD2-CH2 4.08Å; F58-W185 HydrophobicContact CD2-CZ2 4.32Å; F58-W185 AromaticContact CE2-CH2 3.89Å; F58-W185 HydrophobicContact CE2-CH2 3.89Å; F58-W185 AromaticContact CE2-CZ2 3.83Å; F58-W185 HydrophobicContact CE2-CZ2 3.83Å
59	Y	95.4	Very high	94.9	Very high	59 Å²	59	41.9 Å²	41.9	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-40.6	179.6	168.2	-112.1	0	0	0	112.2	F55 I56 V57 M62 A63 I71 P74 L75	F55-Y59 WeakPolarHBondContact O-CB 3.41Å; F55-Y59 PolarHBondContact O-N 2.85Å; I56-Y59 PolarHBondContact O-N 3.37Å; V57-Y59 VanDerWaalsContact C-N 3.35Å; V57-Y59 PolarHBondContact O-N 3.27Å; Y59-M62 PolarHBondContact O-N 3Å; Y59-A63 VanDerWaalsContact O-CB 3.26Å; Y59-A63 WeakPolarHBondContact O-CB 3.29Å; Y59-A63 PolarHBondContact O-N 3.44Å; Y59-I71 HydrophobicContact CE1-CB 4.36Å; Y59-I71 HydrophobicContact CE1-CG2 4.47Å; Y59-I71 PolarHBondContact OH-O 2.8Å; Y59-P74 HydrophobicContact CE2-CB 4.04Å; Y59-P74 HydrophobicContact CE2-CG 3.94Å; Y59-L75 HydrophobicContact CE2-CD2 4.49Å; Y59-L75 HydrophobicContact CE2-CG 4.48Å
60	F	96.8	Very high	95.1	Very high	17 Å²	17	38.7 Å²	38.7	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-69	-42.2	179.6	-83.8	37.7	0	0	0	111.8	I56 V57 F58 A63 C64 L320 L323 L431 F434	I56-F60 HydrophobicContact CG2-CD1 4.25Å; I56-F60 HydrophobicContact CG2-CE1 4.08Å; I56-F60 HydrophobicContact CG2-CZ 4.49Å; I56-F60 VanDerWaalsContact O-CD1 3.25Å; I56-F60 WeakPolarHBondContact O-CD1 3.47Å; I56-F60 PolarHBondContact O-N 2.87Å; V57-F60 PolarHBondContact O-N 3.45Å; F58-F60 VanDerWaalsContact C-N 3.32Å; F58-F60 PolarHBondContact O-N 2.93Å; F60-A63 PolarHBondContact O-N 3.38Å; F60-C64 PolarHBondContact O-N 3.42Å; F60-C64 VanDerWaalsContact O-N 3.1Å; F60-L320 HydrophobicContact CB-CD2 4.27Å; F60-L320 HydrophobicContact CD2-CD2 4.01Å; F60-L320 HydrophobicContact CG-CD2 4.34Å; F60-L323 HydrophobicContact CB-CD2 4.21Å; F60-L323 HydrophobicContact CD2-CD1 3.6Å; F60-L323 HydrophobicContact CD2-CD2 4.03Å; F60-L323 HydrophobicContact CD2-CG 4.48Å; F60-L323 HydrophobicContact CE2-CD1 3.98Å; F60-L431 HydrophobicContact CD2-CG 4.49Å; F60-F434 HydrophobicContact CD2-CD1 4.44Å; F60-F434 HydrophobicContact CD2-CG 4.45Å; F60-F434 HydrophobicContact CE2-CB 3.55Å; F60-F434 AromaticContact CE2-CD1 3.66Å; F60-F434 HydrophobicContact CE2-CD1 3.66Å; F60-F434 AromaticContact CE2-CD2 3.65Å; F60-F434 HydrophobicContact CE2-CD2 3.65Å; F60-F434 HydrophobicContact CE2-CE1 4.26Å; F60-F434 HydrophobicContact CE2-CE2 4.23Å; F60-F434 AromaticContact CE2-CG 3.32Å; F60-F434 HydrophobicContact CE2-CG 3.32Å; F60-F434 HydrophobicContact CE2-CZ 4.5Å; F60-F434 HydrophobicContact CZ-CB 4.09Å; F60-F434 HydrophobicContact CZ-CD1 4.37Å; F60-F434 AromaticContact CZ-CD2 3.54Å; F60-F434 HydrophobicContact CZ-CD2 3.54Å; F60-F434 HydrophobicContact CZ-CE2 4.01Å; F60-F434 AromaticContact CZ-CG 3.74Å; F60-F434 HydrophobicContact CZ-CG 3.74Å
61	V	96.1	Very high	95.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.8	178	0	0	0	0	110.3	V57 F58 C64 D65 I181 L184 Y319	V57-V61 WeakPolarHBondContact O-CG2 3.27Å; V57-V61 PolarHBondContact O-N 3.44Å; V57-V61 VanDerWaalsContact O-N 3.09Å; F58-V61 PolarHBondContact O-N 3.25Å; V61-C64 PolarHBondContact O-N 3.35Å; V61-D65 WeakPolarHBondContact O-CB 3.25Å; V61-D65 PolarHBondContact O-N 3.37Å; V61-I181 HydrophobicContact CG1-CD1 4.39Å; V61-I181 HydrophobicContact CG1-CG1 3.6Å; V61-L184 HydrophobicContact CG2-CD2 4.36Å; V61-Y319 HydrophobicContact CG2-CD1 3.71Å; V61-Y319 HydrophobicContact CG2-CE1 4.38Å
62	M	95.1	Very high	95.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-34.8	177	-66.1	-55.8	91.2	0	0	113.1	F58 Y59 C64 D65 Q66 I88 A92 I181	F58-M62 HydrophobicContact CD1-CG 3.92Å; F58-M62 HydrophobicContact CD2-CG 4.36Å; F58-M62 HydrophobicContact CE1-CG 3.51Å; F58-M62 HydrophobicContact CE1-SD 4.44Å; F58-M62 HydrophobicContact CE2-CE 4.45Å; F58-M62 HydrophobicContact CE2-CG 3.98Å; F58-M62 HydrophobicContact CE2-SD 4.13Å; F58-M62 HydrophobicContact CG-CG 4.34Å; F58-M62 HydrophobicContact CZ-CG 3.54Å; F58-M62 HydrophobicContact CZ-SD 3.88Å; F58-M62 WeakPolarHBondContact O-CB 3.41Å; F58-M62 VanDerWaalsContact O-CG 3.29Å; F58-M62 WeakPolarHBondContact O-CG 3.37Å; F58-M62 PolarHBondContact O-N 3.1Å; Y59-M62 PolarHBondContact O-N 3Å; M62-C64 VanDerWaalsContact C-N 3.26Å; M62-C64 PolarHBondContact O-N 2.8Å; M62-D65 HydrophobicContact CE-CB 4.49Å; M62-D65 PolarHBondContact O-N 3.08Å; M62-Q66 WeakPolarHBondContact O-CB 3.02Å; M62-Q66 PolarHBondContact O-N 2.89Å; M62-Q66 PolarHBondContact SD-NE2 3.03Å; M62-Q66 VanDerWaalsContact SD-NE2 3.37Å; M62-I88 HydrophobicContact CB-CG2 4.37Å; M62-I88 HydrophobicContact CG-CG2 4.48Å; M62-A92 HydrophobicContact CE-CB 4.31Å; M62-A92 HydrophobicContact SD-CB 3.42Å; M62-A92 WeakPolarHBondContact SD-CB 3.11Å; M62-I181 HydrophobicContact CE-CB 4.45Å; M62-I181 HydrophobicContact CE-CD1 3.58Å; M62-I181 HydrophobicContact CE-CG1 3.68Å; M62-I181 HydrophobicContact CE-CG2 3.9Å
63	A	95.9	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-40.7	173.3	0	0	0	0	0	110.5	Y59 F60 Y67 E68 C69 I71 P74 L431	Y59-A63 VanDerWaalsContact O-CB 3.26Å; Y59-A63 WeakPolarHBondContact O-CB 3.29Å; Y59-A63 PolarHBondContact O-N 3.44Å; F60-A63 PolarHBondContact O-N 3.38Å; A63-Y67 CarbonylContact O-C 3.55Å; A63-Y67 VanDerWaalsContact O-CA 3.32Å; A63-Y67 WeakPolarHBondContact O-CA 3.38Å; A63-Y67 WeakPolarHBondContact O-CB 3.44Å; A63-Y67 PolarHBondContact O-N 3.36Å; A63-Y67 VanDerWaalsContact O-N 3.13Å; A63-E68 PolarHBondContact O-N 3.17Å; A63-C69 VanDerWaalsContact O-CA 3.29Å; A63-C69 WeakPolarHBondContact O-CA 3.42Å; A63-C69 PolarHBondContact O-N 3.27Å; A63-I71 HydrophobicContact CB-CG2 4.49Å; A63-P74 HydrophobicContact CB-CG 4.34Å; A63-L431 HydrophobicContact CB-CD1 4.28Å
64	C	95.7	Very high	95.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-67.7	-51.7	173.9	-82.5	0	0	0	0	113.5	F60 V61 M62 E68 C69 L326 Y330	F60-C64 PolarHBondContact O-N 3.42Å; F60-C64 VanDerWaalsContact O-N 3.1Å; V61-C64 PolarHBondContact O-N 3.35Å; M62-C64 VanDerWaalsContact C-N 3.26Å; M62-C64 PolarHBondContact O-N 2.8Å; C64-E68 PolarHBondContact O-N 2.96Å; C64-C69 WeakPolarHBondContact CA-SG 3.48Å; C64-C69 HydrophobicContact CB-CB 4.17Å; C64-C69 WeakPolarHBondContact CB-SG 3.48Å; C64-C69 WeakPolarHBondContact SG-CB 3.29Å; C64-C69 CovalentContact SG-SG 2.06Å; C64-C69 PolarHBondContact SG-SG 3.45Å; C64-L326 HydrophobicContact CB-CD2 3.96Å; C64-L326 HydrophobicContact CB-CG 4.21Å; C64-Y330 HydrophobicContact CB-CD2 4.24Å; C64-Y330 HydrophobicContact CB-CE2 4.11Å
65	D	94.4	Very high	95	Very high	60 Å²	60	41.2 Å²	41.2	32%	0.321	21%	0.205	S	C	.	.	H	α-helix	trans	-67.1	-42.5	-174.5	-175.4	66.9	0	0	0	113.7	V61 M62 I181 Y330	V61-D65 WeakPolarHBondContact O-CB 3.25Å; V61-D65 PolarHBondContact O-N 3.37Å; M62-D65 HydrophobicContact CE-CB 4.49Å; M62-D65 PolarHBondContact O-N 3.08Å; D65-I181 HydrophobicContact CB-CD1 3.81Å; D65-I181 WeakPolarHBondContact OD2-CD1 3.26Å; D65-Y330 PolarHBondContact OD1-OH 2.63Å
66	Q	94.7	Very high	94.9	Very high	36 Å²	36	38.9 Å²	38.9	17%	0.168	20%	0.198	C	C	.	.	H	α-helix	trans	-104.5	-15.3	-171.2	-58.1	-179.6	15.7	0	0	114	M62 I88 R91	M62-Q66 WeakPolarHBondContact O-CB 3.02Å; M62-Q66 PolarHBondContact O-N 2.89Å; M62-Q66 PolarHBondContact SD-NE2 3.03Å; M62-Q66 VanDerWaalsContact SD-NE2 3.37Å; Q66-I88 PolarHBondContact NE2-O 3.3Å; Q66-I88 VanDerWaalsContact NE2-O 3.08Å; Q66-R91 VanDerWaalsContact OE1-NE 3.07Å
67	Y	95.4	Very high	94.8	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-139.1	27.9	-170	-59.1	-86	0	0	0	113.5	A63 C69 S70 Q73 P74 E77 I88 R91	A63-Y67 CarbonylContact O-C 3.55Å; A63-Y67 VanDerWaalsContact O-CA 3.32Å; A63-Y67 WeakPolarHBondContact O-CA 3.38Å; A63-Y67 WeakPolarHBondContact O-CB 3.44Å; A63-Y67 PolarHBondContact O-N 3.36Å; A63-Y67 VanDerWaalsContact O-N 3.13Å; Y67-C69 PolarHBondContact O-N 3.39Å; Y67-C69 VanDerWaalsContact O-N 3.12Å; Y67-S70 WeakPolarHBondContact O-CB 3.13Å; Y67-S70 PolarHBondContact O-N 2.96Å; Y67-Q73 HydrophobicContact CD1-CB 3.99Å; Y67-Q73 HydrophobicContact CG-CB 4.48Å; Y67-P74 HydrophobicContact CD1-CG 4.43Å; Y67-P74 HydrophobicContact CD2-CB 4.04Å; Y67-P74 HydrophobicContact CD2-CG 3.58Å; Y67-P74 HydrophobicContact CE2-CB 3.77Å; Y67-P74 HydrophobicContact CE2-CG 3.86Å; Y67-P74 HydrophobicContact CG-CG 3.86Å; Y67-E77 WeakPolarHBondContact CE1-OE2 3.3Å; Y67-E77 PolarHBondContact OH-OE2 3.06Å; Y67-I88 WeakPolarHBondContact OH-CG1 3.12Å; Y67-R91 VanDerWaalsContact CZ-NH2 3.32Å; Y67-R91 PolarHBondContact OH-NH2 3.28Å
68	E	94.9	Very high	94.6	Very high	136 Å²	136	41 Å²	41	64%	0.636	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.7	177.1	-59.1	-178.5	177	0	0	112	A63 C64 S70 H331 H429	A63-E68 PolarHBondContact O-N 3.17Å; C64-E68 PolarHBondContact O-N 2.96Å; E68-S70 PolarHBondContact O-N 3.43Å; E68-S70 VanDerWaalsContact O-N 3.07Å; E68-H331 PolarHBondContact O-NE2 3.23Å; E68-H429 PolarHBondContact O-CE1 3.25Å
69	C	96.3	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	22.7	-179.2	-61.5	0	0	0	0	114.7	A63 C64 Y67 Y327 H429 L431	A63-C69 VanDerWaalsContact O-CA 3.29Å; A63-C69 WeakPolarHBondContact O-CA 3.42Å; A63-C69 PolarHBondContact O-N 3.27Å; C64-C69 WeakPolarHBondContact CA-SG 3.48Å; C64-C69 HydrophobicContact CB-CB 4.17Å; C64-C69 WeakPolarHBondContact CB-SG 3.48Å; C64-C69 WeakPolarHBondContact SG-CB 3.29Å; C64-C69 CovalentContact SG-SG 2.06Å; C64-C69 PolarHBondContact SG-SG 3.45Å; Y67-C69 PolarHBondContact O-N 3.39Å; Y67-C69 VanDerWaalsContact O-N 3.12Å; C69-Y327 HydrophobicContact CB-CD2 3.63Å; C69-Y327 HydrophobicContact CB-CE2 4.22Å; C69-H429 PolarHBondContact O-ND1 3.41Å; C69-H429 VanDerWaalsContact O-ND1 3.11Å; C69-L431 HydrophobicContact CB-CD1 4.06Å; C69-L431 HydrophobicContact CB-CD2 4.42Å
70	S	96.1	Very high	94.3	Very high	21 Å²	21	47.1 Å²	47.1	15%	0.147	25%	0.25	C	S	.	.			trans	-84.9	117.7	169.8	-174.1	0	0	0	0	110.6	Y67 E68 S72 Q73 P74	Y67-S70 WeakPolarHBondContact O-CB 3.13Å; Y67-S70 PolarHBondContact O-N 2.96Å; E68-S70 PolarHBondContact O-N 3.43Å; E68-S70 VanDerWaalsContact O-N 3.07Å; S70-S72 PolarHBondContact OG-OG 2.92Å; S70-Q73 WeakPolarHBondContact OG-CG 3.27Å; S70-P74 WeakPolarHBondContact O-CD 3.39Å
71	I	94.7	Very high	93.9	Very high	46 Å²	46	49.3 Å²	49.3	24%	0.236	28%	0.277	C	S	.	.	S	Bend	trans	-75.5	-31.7	176.7	62.9	166.6	0	0	0	111.8	Y59 A63 Q73 P74 I430 L431	Y59-I71 HydrophobicContact CE1-CB 4.36Å; Y59-I71 HydrophobicContact CE1-CG2 4.47Å; Y59-I71 PolarHBondContact OH-O 2.8Å; A63-I71 HydrophobicContact CB-CG2 4.49Å; I71-Q73 PolarHBondContact O-N 3.03Å; I71-P74 WeakPolarHBondContact O-CD 3.34Å; I71-I430 HydrophobicContact CD1-CG2 3.32Å; I71-I430 HydrophobicContact CG1-CG2 3.58Å; I71-L431 HydrophobicContact CG2-CB 4Å; I71-L431 HydrophobicContact CG2-CD1 3.9Å; I71-L431 HydrophobicContact CG2-CG 4.31Å
72	S	94.4	Very high	93.6	Very high	72 Å²	72	56.4 Å²	56.4	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-73.2	-31.8	-177	53.1	0	0	0	0	112.9	S70 L75 L76	S70-S72 PolarHBondContact OG-OG 2.92Å; S72-L75 PolarHBondContact O-N 2.83Å; S72-L76 WeakPolarHBondContact O-CB 3.29Å; S72-L76 PolarHBondContact O-N 2.89Å
73	Q	93.5	Very high	93.3	Very high	82 Å²	82	56.6 Å²	56.6	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-49.5	-175	-70	-64.3	-9.4	0	0	114.2	Y67 S70 I71 L75 L76 E77	Y67-Q73 HydrophobicContact CD1-CB 3.99Å; Y67-Q73 HydrophobicContact CG-CB 4.48Å; S70-Q73 WeakPolarHBondContact OG-CG 3.27Å; I71-Q73 PolarHBondContact O-N 3.03Å; Q73-L75 PolarHBondContact O-N 3.09Å; Q73-L76 PolarHBondContact O-N 3.39Å; Q73-L76 VanDerWaalsContact O-N 3.1Å; Q73-E77 PolarHBondContact O-N 2.86Å
74	P	91.9	Very high	93	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.013	33%	0.334	C	S	.	.	H	α-helix	trans	-57.5	-37.6	176.3	-7.5	6.3	0	0	0	112.6	Y59 A63 Y67 S70 I71 L78 I88	Y59-P74 HydrophobicContact CE2-CB 4.04Å; Y59-P74 HydrophobicContact CE2-CG 3.94Å; A63-P74 HydrophobicContact CB-CG 4.34Å; Y67-P74 HydrophobicContact CD1-CG 4.43Å; Y67-P74 HydrophobicContact CD2-CB 4.04Å; Y67-P74 HydrophobicContact CD2-CG 3.58Å; Y67-P74 HydrophobicContact CE2-CB 3.77Å; Y67-P74 HydrophobicContact CE2-CG 3.86Å; Y67-P74 HydrophobicContact CG-CG 3.86Å; S70-P74 WeakPolarHBondContact O-CD 3.39Å; I71-P74 WeakPolarHBondContact O-CD 3.34Å; P74-L78 WeakPolarHBondContact O-CD1 3.36Å; P74-L78 WeakPolarHBondContact O-CG 3.07Å; P74-L78 PolarHBondContact O-N 3.4Å; P74-L78 VanDerWaalsContact O-N 3.12Å; P74-I88 HydrophobicContact CB-CD1 4.31Å
75	L	91.7	Very high	92.6	Very high	93 Å²	93	66.9 Å²	66.9	49%	0.487	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-41.9	177.2	-62.9	176	0	0	0	111.7	Y59 S72 Q73 L78 C79	Y59-L75 HydrophobicContact CE2-CD2 4.49Å; Y59-L75 HydrophobicContact CE2-CG 4.48Å; S72-L75 PolarHBondContact O-N 2.83Å; Q73-L75 PolarHBondContact O-N 3.09Å; L75-L78 PolarHBondContact O-N 3.24Å; L75-C79 WeakPolarHBondContact O-CB 3.33Å; L75-C79 PolarHBondContact O-N 2.57Å; L75-C79 PolarHBondContact O-SG 3.04Å; L75-C79 VanDerWaalsContact O-SG 3.33Å
76	L	93.2	Very high	92.3	Very high	78 Å²	78	70.2 Å²	70.2	41%	0.408	39%	0.385	S	S	.	.	H	α-helix	trans	-63.4	-43.6	178.3	-173.8	65	0	0	0	111.3	S72 Q73 C79 Q80	S72-L76 WeakPolarHBondContact O-CB 3.29Å; S72-L76 PolarHBondContact O-N 2.89Å; Q73-L76 PolarHBondContact O-N 3.39Å; Q73-L76 VanDerWaalsContact O-N 3.1Å; L76-C79 PolarHBondContact O-N 2.92Å; L76-Q80 HydrophobicContact CD1-CG 4.35Å; L76-Q80 HydrophobicContact CG-CG 4.42Å; L76-Q80 VanDerWaalsContact O-CB 3.32Å; L76-Q80 WeakPolarHBondContact O-CB 3.25Å; L76-Q80 VanDerWaalsContact O-CG 3.23Å; L76-Q80 WeakPolarHBondContact O-CG 3.42Å; L76-Q80 PolarHBondContact O-N 3.44Å
77	E	92.9	Very high	92	Very high	52 Å²	52	70.5 Å²	70.5	24%	0.243	39%	0.39	C	S	.	.	H	α-helix	trans	-66.3	-35.9	177.2	-72.6	-168.3	-174.6	0	0	112.9	Y67 Q73 Q80 G81 K82 A83	Y67-E77 WeakPolarHBondContact CE1-OE2 3.3Å; Y67-E77 PolarHBondContact OH-OE2 3.06Å; Q73-E77 PolarHBondContact O-N 2.86Å; E77-Q80 PolarHBondContact O-N 2.91Å; E77-G81 PolarHBondContact O-N 3.4Å; E77-G81 VanDerWaalsContact O-N 3.09Å; E77-K82 HydrophobicContact CB-CB 4.16Å; E77-K82 HydrophobicContact CG-CB 4.27Å; E77-K82 PolarHBondContact O-N 3.02Å; E77-A83 HydrophobicContact CB-CB 3.8Å; E77-A83 PolarHBondContact O-N 3.31Å; E77-A83 VanDerWaalsContact O-N 3.15Å
78	L	91.5	Very high	91.6	Very high	53 Å²	53	70.2 Å²	70.2	28%	0.277	39%	0.39	S	S	.	.	H	α-helix	trans	-63.6	-46.3	171.6	-72.4	167.7	0	0	0	111.2	P74 L75 Q80 G81 L85 I88	P74-L78 WeakPolarHBondContact O-CD1 3.36Å; P74-L78 WeakPolarHBondContact O-CG 3.07Å; P74-L78 PolarHBondContact O-N 3.4Å; P74-L78 VanDerWaalsContact O-N 3.12Å; L75-L78 PolarHBondContact O-N 3.24Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 3.12Å; L78-G81 PolarHBondContact O-N 2.83Å; L78-L85 HydrophobicContact CD1-CD2 3.82Å; L78-L85 HydrophobicContact CD2-CD2 3.99Å; L78-L85 HydrophobicContact CD2-CG 4.11Å; L78-I88 HydrophobicContact CD1-CD1 4.26Å; L78-I88 HydrophobicContact CD2-CD1 4.21Å; L78-I88 HydrophobicContact CG-CD1 4.18Å
79	C	92.2	Very high	91.3	Very high	114 Å²	114	70 Å²	70	77%	0.77	38%	0.384	S	S	*	.	H	α-helix	trans	-66.1	-33.9	178.1	-71.5	0	0	0	0	112.9	L75 L76 G81	L75-C79 WeakPolarHBondContact O-CB 3.33Å; L75-C79 PolarHBondContact O-N 2.57Å; L75-C79 PolarHBondContact O-SG 3.04Å; L75-C79 VanDerWaalsContact O-SG 3.33Å; L76-C79 PolarHBondContact O-N 2.92Å; C79-G81 VanDerWaalsContact C-N 3.29Å
80	Q	93.2	Very high	91	Very high	100 Å²	100	73.7 Å²	73.7	47%	0.467	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.4	177.6	-70.1	177.4	2.4	0	0	113.2	L76 E77 L78 K82	L76-Q80 HydrophobicContact CD1-CG 4.35Å; L76-Q80 HydrophobicContact CG-CG 4.42Å; L76-Q80 VanDerWaalsContact O-CB 3.32Å; L76-Q80 WeakPolarHBondContact O-CB 3.25Å; L76-Q80 VanDerWaalsContact O-CG 3.23Å; L76-Q80 WeakPolarHBondContact O-CG 3.42Å; L76-Q80 PolarHBondContact O-N 3.44Å; E77-Q80 PolarHBondContact O-N 2.91Å; L78-Q80 VanDerWaalsContact C-N 3.33Å; L78-Q80 PolarHBondContact O-N 3.12Å; Q80-K82 HydrophobicContact CB-CD 4.33Å; Q80-K82 HydrophobicContact CB-CG 4.16Å; Q80-K82 PolarHBondContact O-N 2.85Å; Q80-K82 VanDerWaalsContact OE1-CE 3.23Å
81	G	89.2	Confident	90.7	Very high	63 Å²	63	78.7 Å²	78.7	65%	0.649	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	13.8	-175.6	0	0	0	0	0	114.5	E77 L78 C79	E77-G81 PolarHBondContact O-N 3.4Å; E77-G81 VanDerWaalsContact O-N 3.09Å; L78-G81 PolarHBondContact O-N 2.83Å; C79-G81 VanDerWaalsContact C-N 3.29Å
82	K	88.3	Confident	90.5	Very high	152 Å²	152	77.1 Å²	77.1	66%	0.661	42%	0.424	S	S	*	.	S	Bend	trans	-76	-30.8	176	-70.9	178.5	177.9	165.7	0	112.1	E77 Q80	E77-K82 HydrophobicContact CB-CB 4.16Å; E77-K82 HydrophobicContact CG-CB 4.27Å; E77-K82 PolarHBondContact O-N 3.02Å; Q80-K82 HydrophobicContact CB-CD 4.33Å; Q80-K82 HydrophobicContact CB-CG 4.16Å; Q80-K82 PolarHBondContact O-N 2.85Å; Q80-K82 VanDerWaalsContact OE1-CE 3.23Å
83	A	89	Confident	90.3	Very high	7 Å²	7	76.2 Å²	76.2	6%	0.058	42%	0.416	C	S	.	.			trans	-125.3	153.7	172.5	0	0	0	0	0	109.8	E77 I88	E77-A83 HydrophobicContact CB-CB 3.8Å; E77-A83 PolarHBondContact O-N 3.31Å; E77-A83 VanDerWaalsContact O-N 3.15Å; A83-I88 HydrophobicContact CB-CD1 4.41Å; A83-I88 HydrophobicContact CB-CG1 4.31Å
84	T	89.4	Confident	90.3	Very high	82 Å²	82	76.6 Å²	76.6	50%	0.503	43%	0.428	S	S	.	.			trans	-114.4	159	165.2	62.6	0	0	0	0	109.7	L86 S87 I88	T84-L86 PolarHBondContact O-N 3.05Å; T84-S87 PolarHBondContact N-OG 3.19Å; T84-S87 PolarHBondContact O-N 3.29Å; T84-S87 PolarHBondContact O-OG 3.38Å; T84-S87 PolarHBondContact OG1-N 3.24Å; T84-S87 VanDerWaalsContact OG1-N 3.12Å; T84-S87 PolarHBondContact OG1-OG 3.22Å; T84-I88 PolarHBondContact O-N 3.45Å; T84-I88 VanDerWaalsContact O-N 3.1Å
85	L	86.9	Confident	90.4	Very high	134 Å²	134	80.4 Å²	80.4	70%	0.702	44%	0.444	S	S	*	.	H	α-helix	trans	-53.9	-38.2	173.5	-68	176.3	0	0	0	111.5	L78 I88 W89	L78-L85 HydrophobicContact CD1-CD2 3.82Å; L78-L85 HydrophobicContact CD2-CD2 3.99Å; L78-L85 HydrophobicContact CD2-CG 4.11Å; L85-I88 PolarHBondContact O-N 3.29Å; L85-W89 VanDerWaalsContact O-CB 3.3Å; L85-W89 WeakPolarHBondContact O-CB 3.46Å; L85-W89 PolarHBondContact O-N 3.22Å
86	L	88.2	Confident	90.6	Very high	131 Å²	131	78 Å²	78	69%	0.686	43%	0.434	S	S	*	.	H	α-helix	trans	-65.3	-39	176.8	-169.6	70.7	0	0	0	112.1	T84 W89 A90	T84-L86 PolarHBondContact O-N 3.05Å; L86-W89 PolarHBondContact O-N 3.21Å; L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 3.48Å
87	S	88.8	Confident	90.8	Very high	41 Å²	41	83.8 Å²	83.8	29%	0.287	45%	0.45	S	S	.	.	H	α-helix	trans	-67.8	-38.6	177.8	68.3	0	0	0	0	112.9	T84 A90 R91	T84-S87 PolarHBondContact N-OG 3.19Å; T84-S87 PolarHBondContact O-N 3.29Å; T84-S87 PolarHBondContact O-OG 3.38Å; T84-S87 PolarHBondContact OG1-N 3.24Å; T84-S87 VanDerWaalsContact OG1-N 3.12Å; T84-S87 PolarHBondContact OG1-OG 3.22Å; S87-A90 PolarHBondContact O-N 3.4Å; S87-R91 WeakPolarHBondContact O-CG 3.19Å; S87-R91 PolarHBondContact O-N 3.16Å
88	I	87.9	Confident	91	Very high	16 Å²	16	85 Å²	85	8%	0.082	46%	0.462	C	S	.	.	H	α-helix	trans	-65.5	-44.8	175.1	-63.5	175.2	0	0	0	109.5	M62 Q66 Y67 P74 L78 A83 T84 L85 R91 A92	M62-I88 HydrophobicContact CB-CG2 4.37Å; M62-I88 HydrophobicContact CG-CG2 4.48Å; Q66-I88 PolarHBondContact NE2-O 3.3Å; Q66-I88 VanDerWaalsContact NE2-O 3.08Å; Y67-I88 WeakPolarHBondContact OH-CG1 3.12Å; P74-I88 HydrophobicContact CB-CD1 4.31Å; L78-I88 HydrophobicContact CD1-CD1 4.26Å; L78-I88 HydrophobicContact CD2-CD1 4.21Å; L78-I88 HydrophobicContact CG-CD1 4.18Å; A83-I88 HydrophobicContact CB-CD1 4.41Å; A83-I88 HydrophobicContact CB-CG1 4.31Å; T84-I88 PolarHBondContact O-N 3.45Å; T84-I88 VanDerWaalsContact O-N 3.1Å; L85-I88 PolarHBondContact O-N 3.29Å; I88-R91 PolarHBondContact O-N 3.06Å; I88-A92 PolarHBondContact O-N 3.04Å
89	W	88.6	Confident	91.2	Very high	131 Å²	131	82.5 Å²	82.5	50%	0.496	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-44.2	175.8	-179.2	-87.1	0	0	0	112.7	F58 L85 L86 R91 A92 W185	F58-W89 AromaticContact CE1-CE3 3.95Å; F58-W89 HydrophobicContact CE1-CE3 3.95Å; F58-W89 HydrophobicContact CE1-CZ3 4.37Å; F58-W89 HydrophobicContact CE2-CE3 4.24Å; F58-W89 HydrophobicContact CE2-CZ3 4.2Å; F58-W89 HydrophobicContact CZ-CD2 4.49Å; F58-W89 AromaticContact CZ-CE3 3.66Å; F58-W89 HydrophobicContact CZ-CE3 3.66Å; F58-W89 HydrophobicContact CZ-CZ3 4.04Å; L85-W89 VanDerWaalsContact O-CB 3.3Å; L85-W89 WeakPolarHBondContact O-CB 3.46Å; L85-W89 PolarHBondContact O-N 3.22Å; L86-W89 PolarHBondContact O-N 3.21Å; W89-R91 PolarHBondContact O-N 3.37Å; W89-A92 VanDerWaalsContact O-CB 3.27Å; W89-A92 WeakPolarHBondContact O-CB 3.47Å; W89-A92 PolarHBondContact O-N 3.1Å; W89-W185 AromaticContact CH2-CH2 3.27Å; W89-W185 HydrophobicContact CH2-CH2 3.27Å; W89-W185 HydrophobicContact CH2-CZ2 4.14Å; W89-W185 AromaticContact CH2-CZ3 3.93Å; W89-W185 HydrophobicContact CH2-CZ3 3.93Å; W89-W185 AromaticContact CZ2-CH2 3.96Å; W89-W185 HydrophobicContact CZ2-CH2 3.96Å; W89-W185 HydrophobicContact CZ2-CZ2 4.47Å; W89-W185 AromaticContact CZ3-CH2 3.67Å; W89-W185 HydrophobicContact CZ3-CH2 3.67Å; W89-W185 HydrophobicContact CZ3-CZ2 4.49Å
90	A	89.7	Confident	91.5	Very high	78 Å²	78	78.1 Å²	78.1	65%	0.645	42%	0.42	S	S	*	.	H	α-helix	trans	-65.8	-26.5	-178.4	0	0	0	0	0	113	L86 S87	L86-A90 WeakPolarHBondContact O-CB 3.49Å; L86-A90 PolarHBondContact O-N 3.48Å; S87-A90 PolarHBondContact O-N 3.4Å
91	R	89.5	Confident	91.7	Very high	126 Å²	126	79.5 Å²	79.5	48%	0.475	43%	0.425	S	S	.	.	H	α-helix	trans	-80.9	-17.3	173.3	-70.9	-171.6	-57.6	-176.6	1.2	113.4	Q66 Y67 S87 I88 W89 P93	Q66-R91 VanDerWaalsContact OE1-NE 3.07Å; Y67-R91 VanDerWaalsContact CZ-NH2 3.32Å; Y67-R91 PolarHBondContact OH-NH2 3.28Å; S87-R91 WeakPolarHBondContact O-CG 3.19Å; S87-R91 PolarHBondContact O-N 3.16Å; I88-R91 PolarHBondContact O-N 3.06Å; W89-R91 PolarHBondContact O-N 3.37Å; R91-P93 WeakPolarHBondContact O-CD 3.39Å
92	A	90.5	Very high	92.1	Very high	13 Å²	13	78.2 Å²	78.2	11%	0.107	40%	0.403	C	S	.	.	S	Bend	trans	-68.9	126	178.9	0	0	0	0	0	110	F58 M62 I88 W89 S94	F58-A92 HydrophobicContact CE2-CB 3.97Å; F58-A92 HydrophobicContact CZ-CB 3.77Å; M62-A92 HydrophobicContact CE-CB 4.31Å; M62-A92 HydrophobicContact SD-CB 3.42Å; M62-A92 WeakPolarHBondContact SD-CB 3.11Å; I88-A92 PolarHBondContact O-N 3.04Å; W89-A92 VanDerWaalsContact O-CB 3.27Å; W89-A92 WeakPolarHBondContact O-CB 3.47Å; W89-A92 PolarHBondContact O-N 3.1Å; A92-S94 PolarHBondContact O-N 3.21Å
93	P	90.9	Very high	92.6	Very high	53 Å²	53	72.2 Å²	72.2	34%	0.344	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-49.1	127.3	171.2	-30.4	34.9	0	0	0	112	R91 I181 P182 W185	R91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-I181 HydrophobicContact CB-CB 4.12Å; P93-I181 HydrophobicContact CB-CG2 4Å; P93-I181 HydrophobicContact CG-CB 4.15Å; P93-I181 HydrophobicContact CG-CD1 3.87Å; P93-I181 HydrophobicContact CG-CG2 4.21Å; P93-I181 WeakPolarHBondContact O-CG2 3.38Å; P93-P182 HydrophobicContact CB-CG 4.18Å; P93-W185 PolarHBondContact O-NE1 3.39Å
94	S	92.4	Very high	93	Very high	89 Å²	89	74.4 Å²	74.4	62%	0.622	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-76.2	170.7	178.9	61.5	0	0	0	0	111.4	A92 T96	A92-S94 PolarHBondContact O-N 3.21Å; S94-T96 PolarHBondContact O-N 3.15Å
95	F	93.7	Very high	93.4	Very high	82 Å²	82	76.2 Å²	76.2	36%	0.36	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-53.4	135.7	172.3	173.6	-90	0	0	0	111.4	W97 A100 W185 I189	F95-W97 HydrophobicContact CE1-CD2 4.29Å; F95-W97 HydrophobicContact CE1-CE3 4.48Å; F95-A100 HydrophobicContact CE1-CB 4.46Å; F95-A100 HydrophobicContact CE2-CB 3.91Å; F95-A100 HydrophobicContact CZ-CB 3.53Å; F95-W185 HydrophobicContact CB-CB 4.44Å; F95-W185 HydrophobicContact CB-CG 4.5Å; F95-W185 HydrophobicContact CD2-CB 4.17Å; F95-I189 HydrophobicContact CD2-CD1 4.43Å; F95-I189 HydrophobicContact CE2-CD1 4.32Å
96	T	96.7	Very high	93.9	Very high	44 Å²	44	71.6 Å²	71.6	27%	0.27	37%	0.373	S	S	.	.			trans	-124.4	143.9	175	74.5	0	0	0	0	111.3	S94 T98 A99 A100 P182	S94-T96 PolarHBondContact O-N 3.15Å; T96-T98 PolarHBondContact O-N 2.74Å; T96-A99 PolarHBondContact O-N 2.93Å; T96-A99 WeakPolarHBondContact OG1-CB 3.13Å; T96-A99 PolarHBondContact OG1-N 3.47Å; T96-A99 VanDerWaalsContact OG1-N 3.12Å; T96-A100 PolarHBondContact O-N 3.41Å; T96-P182 HydrophobicContact CG2-CB 4.17Å; T96-P182 HydrophobicContact CG2-CG 4.03Å
97	W	96.6	Very high	94.4	Very high	198 Å²	198	66.5 Å²	66.5	75%	0.75	35%	0.347	S	S	*	.	H	α-helix	trans	-64.2	-24.4	173.6	-74.4	109.2	0	0	0	112.9	F95 A100 K101	F95-W97 HydrophobicContact CE1-CD2 4.29Å; F95-W97 HydrophobicContact CE1-CE3 4.48Å; W97-A100 HydrophobicContact CE3-CB 4.42Å; W97-K101 WeakPolarHBondContact O-CB 3.31Å; W97-K101 WeakPolarHBondContact O-CE 3.48Å; W97-K101 WeakPolarHBondContact O-CG 3.22Å; W97-K101 PolarHBondContact O-N 3.09Å
98	T	96.8	Very high	94.8	Very high	79 Å²	79	68.1 Å²	68.1	49%	0.485	36%	0.358	S	S	.	.	H	α-helix	trans	-65.9	-51	173.6	-58.2	0	0	0	0	110.7	T96 A100 K101 I102	T96-T98 PolarHBondContact O-N 2.74Å; T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.3Å; T98-K101 PolarHBondContact O-N 2.99Å; T98-I102 HydrophobicContact CG2-CD1 3.94Å; T98-I102 WeakPolarHBondContact O-CG1 3.43Å; T98-I102 PolarHBondContact O-N 3.42Å
99	A	97.4	Very high	95.3	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-39.8	176.6	0	0	0	0	0	112.1	T96 K101 I102 Y103 N179 P182 L183	T96-A99 PolarHBondContact O-N 2.93Å; T96-A99 WeakPolarHBondContact OG1-CB 3.13Å; T96-A99 PolarHBondContact OG1-N 3.47Å; T96-A99 VanDerWaalsContact OG1-N 3.12Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-K101 PolarHBondContact O-N 2.91Å; A99-I102 PolarHBondContact O-N 2.82Å; A99-Y103 WeakPolarHBondContact O-CB 3.19Å; A99-Y103 PolarHBondContact O-N 2.8Å; A99-N179 HydrophobicContact CB-CB 4.47Å; A99-P182 HydrophobicContact CB-CB 3.39Å; A99-L183 HydrophobicContact CB-CD2 4.17Å; A99-L183 HydrophobicContact CB-CG 4.31Å
100	A	97.8	Very high	95.8	Very high	21 Å²	21	64 Å²	64	17%	0.174	34%	0.343	C	S	.	.	H	α-helix	trans	-59.4	-43.6	174.4	0	0	0	0	0	112.4	F95 T96 W97 T98 A104	F95-A100 HydrophobicContact CE1-CB 4.46Å; F95-A100 HydrophobicContact CE2-CB 3.91Å; F95-A100 HydrophobicContact CZ-CB 3.53Å; T96-A100 PolarHBondContact O-N 3.41Å; W97-A100 HydrophobicContact CE3-CB 4.42Å; T98-A100 VanDerWaalsContact C-N 3.31Å; T98-A100 PolarHBondContact O-N 3.3Å; A100-A104 WeakPolarHBondContact O-CB 3.22Å; A100-A104 PolarHBondContact O-N 3.02Å
101	K	98.1	Very high	96.1	Very high	130 Å²	130	62.8 Å²	62.8	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-64.1	-47	175.5	-79.5	-179.7	-79.6	177.3	0	111.9	W97 T98 A99 Y103 A104 I105	W97-K101 WeakPolarHBondContact O-CB 3.31Å; W97-K101 WeakPolarHBondContact O-CE 3.48Å; W97-K101 WeakPolarHBondContact O-CG 3.22Å; W97-K101 PolarHBondContact O-N 3.09Å; T98-K101 PolarHBondContact O-N 2.99Å; A99-K101 VanDerWaalsContact C-N 3.34Å; A99-K101 PolarHBondContact O-N 2.91Å; K101-Y103 VanDerWaalsContact C-N 3.33Å; K101-Y103 PolarHBondContact O-N 3.39Å; K101-A104 PolarHBondContact O-N 3.1Å; K101-I105 WeakPolarHBondContact O-CB 3.34Å; K101-I105 VanDerWaalsContact O-CG1 3.26Å; K101-I105 WeakPolarHBondContact O-CG1 3.32Å; K101-I105 PolarHBondContact O-N 3.39Å
102	I	97.8	Very high	96.5	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.185	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-50.3	177.3	-67.8	161.4	0	0	0	110.1	T98 A99 I105 W106 I175 N179 L183	T98-I102 HydrophobicContact CG2-CD1 3.94Å; T98-I102 WeakPolarHBondContact O-CG1 3.43Å; T98-I102 PolarHBondContact O-N 3.42Å; A99-I102 PolarHBondContact O-N 2.82Å; I102-I105 PolarHBondContact O-N 3.41Å; I102-W106 WeakPolarHBondContact O-CB 3.37Å; I102-W106 PolarHBondContact O-N 2.9Å; I102-I175 HydrophobicContact CD1-CD1 3.73Å; I102-I175 HydrophobicContact CD1-CG1 3.74Å; I102-I175 HydrophobicContact CG1-CD1 3.96Å; I102-I175 HydrophobicContact CG1-CG1 4.44Å; I102-N179 HydrophobicContact CD1-CB 4.42Å; I102-L183 HydrophobicContact CG2-CD2 4.36Å
103	Y	97.7	Very high	96.9	Very high	26 Å²	26	61.4 Å²	61.4	10%	0.102	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-39	-177.2	-164.3	-116.4	0	0	0	112.5	A99 K101 W106 V107 L183 C186 T187 L190	A99-Y103 WeakPolarHBondContact O-CB 3.19Å; A99-Y103 PolarHBondContact O-N 2.8Å; K101-Y103 VanDerWaalsContact C-N 3.33Å; K101-Y103 PolarHBondContact O-N 3.39Å; Y103-W106 AromaticContact CD2-CD1 3.97Å; Y103-W106 AromaticContact CE2-CD1 3.86Å; Y103-W106 WeakPolarHBondContact O-CB 3.27Å; Y103-W106 PolarHBondContact O-N 3.24Å; Y103-V107 HydrophobicContact CD1-CG2 4.16Å; Y103-V107 HydrophobicContact CD2-CG2 4.46Å; Y103-V107 HydrophobicContact CE1-CG2 3.87Å; Y103-V107 HydrophobicContact CE2-CG2 4.16Å; Y103-V107 HydrophobicContact CG-CG2 4.46Å; Y103-V107 WeakPolarHBondContact O-CG2 3.35Å; Y103-V107 PolarHBondContact O-N 3.24Å; Y103-L183 HydrophobicContact CD2-CD2 4.27Å; Y103-L183 HydrophobicContact CG-CD2 4.42Å; Y103-C186 HydrophobicContact CD1-CB 3.59Å; Y103-C186 HydrophobicContact CE1-CB 4.25Å; Y103-C186 HydrophobicContact CG-CB 3.83Å; Y103-T187 HydrophobicContact CD2-CG2 4.24Å; Y103-T187 HydrophobicContact CE1-CG2 4.24Å; Y103-T187 HydrophobicContact CE2-CG2 3.48Å; Y103-T187 VanDerWaalsContact CE2-CG2 3.48Å; Y103-T187 VanDerWaalsContact CZ-CG2 3.47Å; Y103-T187 WeakPolarHBondContact OH-CG2 3.27Å; Y103-L190 HydrophobicContact CE1-CB 3.91Å; Y103-L190 HydrophobicContact CE1-CD2 3.65Å; Y103-L190 HydrophobicContact CE1-CG 4.44Å; Y103-L190 WeakPolarHBondContact OH-CD2 3.35Å
104	A	97.9	Very high	97.1	Very high	53 Å²	53	59.3 Å²	59.3	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.1	0	0	0	0	0	111.8	A100 K101 S108	A100-A104 WeakPolarHBondContact O-CB 3.22Å; A100-A104 PolarHBondContact O-N 3.02Å; K101-A104 PolarHBondContact O-N 3.1Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.43Å; A104-S108 PolarHBondContact O-OG 2.9Å
105	I	97.8	Very high	97.3	Very high	120 Å²	120	58.7 Å²	58.7	62%	0.615	30%	0.301	S	S	*	.	H	α-helix	trans	-62.9	-47	174.6	-69	165.7	0	0	0	110	K101 I102 S108 F109	K101-I105 WeakPolarHBondContact O-CB 3.34Å; K101-I105 VanDerWaalsContact O-CG1 3.26Å; K101-I105 WeakPolarHBondContact O-CG1 3.32Å; K101-I105 PolarHBondContact O-N 3.39Å; I102-I105 PolarHBondContact O-N 3.41Å; I105-S108 PolarHBondContact O-N 3.43Å; I105-F109 WeakPolarHBondContact O-CB 3.36Å; I105-F109 PolarHBondContact O-N 3.16Å
106	W	97.6	Very high	97.3	Very high	36 Å²	36	58.2 Å²	58.2	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-54.9	177.2	165.3	-115.3	0	0	0	112.3	I102 Y103 S108 F109 Q110 T157 V249 A250 L253	I102-W106 WeakPolarHBondContact O-CB 3.37Å; I102-W106 PolarHBondContact O-N 2.9Å; Y103-W106 AromaticContact CD2-CD1 3.97Å; Y103-W106 AromaticContact CE2-CD1 3.86Å; Y103-W106 WeakPolarHBondContact O-CB 3.27Å; Y103-W106 PolarHBondContact O-N 3.24Å; W106-S108 PolarHBondContact O-N 3.43Å; W106-F109 PolarHBondContact O-N 3Å; W106-Q110 HydrophobicContact CD2-CG 4Å; W106-Q110 HydrophobicContact CE3-CG 4.04Å; W106-Q110 VanDerWaalsContact CH2-CD 3.46Å; W106-Q110 HydrophobicContact CH2-CG 3.63Å; W106-Q110 HydrophobicContact CZ2-CG 3.54Å; W106-Q110 HydrophobicContact CZ3-CG 3.88Å; W106-Q110 WeakPolarHBondContact O-CG 3.43Å; W106-Q110 PolarHBondContact O-N 3.42Å; W106-T157 HydrophobicContact CH2-CG2 4.03Å; W106-T157 HydrophobicContact CZ3-CG2 3.65Å; W106-V249 HydrophobicContact CH2-CB 4.11Å; W106-V249 HydrophobicContact CH2-CG1 3.82Å; W106-V249 HydrophobicContact CZ2-CB 4.46Å; W106-A250 HydrophobicContact CZ2-CB 3.77Å; W106-L253 HydrophobicContact CE3-CD2 4.42Å; W106-L253 HydrophobicContact CH2-CD2 4.36Å; W106-L253 HydrophobicContact CZ3-CD2 3.96Å
107	V	97.9	Very high	97.2	Very high	24 Å²	24	58.4 Å²	58.4	15%	0.145	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-42.9	-177.7	175	0	0	0	0	110.6	Y103 F109 Q110 V111 L190	Y103-V107 HydrophobicContact CD1-CG2 4.16Å; Y103-V107 HydrophobicContact CD2-CG2 4.46Å; Y103-V107 HydrophobicContact CE1-CG2 3.87Å; Y103-V107 HydrophobicContact CE2-CG2 4.16Å; Y103-V107 HydrophobicContact CG-CG2 4.46Å; Y103-V107 WeakPolarHBondContact O-CG2 3.35Å; Y103-V107 PolarHBondContact O-N 3.24Å; V107-F109 VanDerWaalsContact C-N 3.32Å; V107-F109 PolarHBondContact O-N 3.41Å; V107-Q110 PolarHBondContact O-N 2.93Å; V107-V111 HydrophobicContact CG1-CG2 4.41Å; V107-V111 WeakPolarHBondContact O-CG2 3.38Å; V107-V111 PolarHBondContact O-N 2.69Å; V107-L190 HydrophobicContact CG1-CD2 4.3Å; V107-L190 HydrophobicContact CG2-CD2 3.84Å
108	S	98.1	Very high	97.1	Very high	75 Å²	75	52.7 Å²	52.7	52%	0.524	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-40.1	177.9	-57.4	0	0	0	0	111.9	A104 I105 W106 V111 F112	A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.43Å; A104-S108 PolarHBondContact O-OG 2.9Å; I105-S108 PolarHBondContact O-N 3.43Å; W106-S108 PolarHBondContact O-N 3.43Å; S108-V111 PolarHBondContact O-N 3.25Å; S108-F112 WeakPolarHBondContact O-CB 3.49Å; S108-F112 PolarHBondContact O-N 3.36Å
109	F	98	Very high	97	Very high	61 Å²	61	49 Å²	49	27%	0.268	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-44.6	175.1	178.1	-114.2	0	0	0	111.6	I105 W106 V107 V111 F112 L113 I156 L160	I105-F109 WeakPolarHBondContact O-CB 3.36Å; I105-F109 PolarHBondContact O-N 3.16Å; W106-F109 PolarHBondContact O-N 3Å; V107-F109 VanDerWaalsContact C-N 3.32Å; V107-F109 PolarHBondContact O-N 3.41Å; F109-V111 PolarHBondContact O-N 2.8Å; F109-F112 WeakPolarHBondContact O-CB 3.34Å; F109-F112 PolarHBondContact O-N 3.42Å; F109-L113 HydrophobicContact CD1-CD1 4.08Å; F109-L113 HydrophobicContact CD2-CG 4.46Å; F109-L113 HydrophobicContact CE1-CD1 3.48Å; F109-L113 VanDerWaalsContact CE1-CD1 3.48Å; F109-L113 HydrophobicContact CE1-CG 4.2Å; F109-L113 HydrophobicContact CE2-CD1 4.2Å; F109-L113 HydrophobicContact CE2-CD2 4.15Å; F109-L113 HydrophobicContact CE2-CG 4.07Å; F109-L113 HydrophobicContact CZ-CD1 3.55Å; F109-L113 HydrophobicContact CZ-CD2 4.1Å; F109-L113 HydrophobicContact CZ-CG 3.93Å; F109-L113 WeakPolarHBondContact O-CG 3.43Å; F109-L113 PolarHBondContact O-N 3.46Å; F109-I156 HydrophobicContact CZ-CG2 4.15Å; F109-L160 HydrophobicContact CE1-CD1 4.45Å; F109-L160 HydrophobicContact CE2-CD1 4.22Å; F109-L160 HydrophobicContact CZ-CD1 3.62Å
110	Q	98	Very high	96.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-38.8	175.3	-71.9	-52.3	-49.6	0	0	112.7	W106 V107 L113 Y114 T157 F241 R245	W106-Q110 HydrophobicContact CD2-CG 4Å; W106-Q110 HydrophobicContact CE3-CG 4.04Å; W106-Q110 VanDerWaalsContact CH2-CD 3.46Å; W106-Q110 HydrophobicContact CH2-CG 3.63Å; W106-Q110 HydrophobicContact CZ2-CG 3.54Å; W106-Q110 HydrophobicContact CZ3-CG 3.88Å; W106-Q110 WeakPolarHBondContact O-CG 3.43Å; W106-Q110 PolarHBondContact O-N 3.42Å; V107-Q110 PolarHBondContact O-N 2.93Å; Q110-L113 PolarHBondContact O-N 3.47Å; Q110-Y114 VanDerWaalsContact O-CB 3.26Å; Q110-Y114 WeakPolarHBondContact O-CB 3.22Å; Q110-Y114 PolarHBondContact O-N 2.87Å; Q110-T157 PolarHBondContact NE2-OG1 3.46Å; Q110-T157 VanDerWaalsContact NE2-OG1 3.09Å; Q110-F241 HydrophobicContact CB-CE2 4.25Å; Q110-F241 HydrophobicContact CB-CZ 4.32Å; Q110-R245 HydrophobicContact CB-CB 4.09Å; Q110-R245 HydrophobicContact CG-CB 4.42Å
111	V	97.7	Very high	96.7	Very high	52 Å²	52	51.9 Å²	51.9	32%	0.315	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-46.4	172.8	170.5	0	0	0	0	110.4	V107 S108 F109 L113 Y114 V115 F236 F241	V107-V111 HydrophobicContact CG1-CG2 4.41Å; V107-V111 WeakPolarHBondContact O-CG2 3.38Å; V107-V111 PolarHBondContact O-N 2.69Å; S108-V111 PolarHBondContact O-N 3.25Å; F109-V111 PolarHBondContact O-N 2.8Å; V111-L113 PolarHBondContact O-N 3.39Å; V111-Y114 PolarHBondContact O-N 3.36Å; V111-V115 HydrophobicContact CG1-CG2 4.25Å; V111-V115 WeakPolarHBondContact O-CB 3.22Å; V111-V115 WeakPolarHBondContact O-CG2 2.91Å; V111-V115 PolarHBondContact O-N 3.37Å; V111-F236 HydrophobicContact CG2-CE2 4.35Å; V111-F241 HydrophobicContact CB-CE2 4.49Å; V111-F241 HydrophobicContact CB-CZ 4.39Å; V111-F241 HydrophobicContact CG2-CE1 4.1Å; V111-F241 HydrophobicContact CG2-CE2 3.92Å; V111-F241 HydrophobicContact CG2-CZ 3.41Å; V111-F241 VanDerWaalsContact CG2-CZ 3.41Å
112	F	97.8	Very high	96.5	Very high	105 Å²	105	48.9 Å²	48.9	46%	0.461	27%	0.274	S	S	.	.	H	α-helix	trans	-59.2	-48.2	177.8	174	-97.9	0	0	0	111.5	S108 F109 Y114 C116 I117	S108-F112 WeakPolarHBondContact O-CB 3.49Å; S108-F112 PolarHBondContact O-N 3.36Å; F109-F112 WeakPolarHBondContact O-CB 3.34Å; F109-F112 PolarHBondContact O-N 3.42Å; F112-Y114 VanDerWaalsContact C-N 3.33Å; F112-Y114 PolarHBondContact O-N 3.02Å; F112-C116 HydrophobicContact CD2-CB 3.78Å; F112-C116 HydrophobicContact CE2-CB 3.71Å; F112-C116 HydrophobicContact CG-CB 4.41Å; F112-C116 HydrophobicContact CZ-CB 4.29Å; F112-C116 WeakPolarHBondContact O-CA 3.44Å; F112-C116 WeakPolarHBondContact O-CB 3.22Å; F112-C116 PolarHBondContact O-N 3.05Å; F112-I117 HydrophobicContact CD1-CG1 4.35Å; F112-I117 HydrophobicContact CE1-CD1 3.76Å; F112-I117 HydrophobicContact CE1-CG1 3.94Å; F112-I117 HydrophobicContact CZ-CD1 3.88Å; F112-I117 HydrophobicContact CZ-CG1 4.44Å
113	L	97.5	Very high	96.3	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-60.8	-42.4	176.5	-69.5	-177.7	0	0	0	111.9	F109 Q110 V111 I117 N149 C153 I156	F109-L113 HydrophobicContact CD1-CD1 4.08Å; F109-L113 HydrophobicContact CD2-CG 4.46Å; F109-L113 HydrophobicContact CE1-CD1 3.48Å; F109-L113 VanDerWaalsContact CE1-CD1 3.48Å; F109-L113 HydrophobicContact CE1-CG 4.2Å; F109-L113 HydrophobicContact CE2-CD1 4.2Å; F109-L113 HydrophobicContact CE2-CD2 4.15Å; F109-L113 HydrophobicContact CE2-CG 4.07Å; F109-L113 HydrophobicContact CZ-CD1 3.55Å; F109-L113 HydrophobicContact CZ-CD2 4.1Å; F109-L113 HydrophobicContact CZ-CG 3.93Å; F109-L113 WeakPolarHBondContact O-CG 3.43Å; F109-L113 PolarHBondContact O-N 3.46Å; Q110-L113 PolarHBondContact O-N 3.47Å; V111-L113 PolarHBondContact O-N 3.39Å; L113-I117 HydrophobicContact CD2-CG1 4.07Å; L113-I117 WeakPolarHBondContact O-CB 3.49Å; L113-N149 PolarHBondContact O-ND2 3.45Å; L113-C153 HydrophobicContact CB-CB 4.3Å; L113-C153 HydrophobicContact CD1-CB 4.15Å; L113-I156 HydrophobicContact CD2-CD1 4.17Å; L113-I156 HydrophobicContact CD2-CG2 4.12Å
114	Y	96.6	Very high	96.1	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-69.6	-40.3	-178	-179.1	-116.1	0	0	0	113.5	Q110 V111 F112 F236 D237 L240 F241 R245	Q110-Y114 VanDerWaalsContact O-CB 3.26Å; Q110-Y114 WeakPolarHBondContact O-CB 3.22Å; Q110-Y114 PolarHBondContact O-N 2.87Å; V111-Y114 PolarHBondContact O-N 3.36Å; F112-Y114 VanDerWaalsContact C-N 3.33Å; F112-Y114 PolarHBondContact O-N 3.02Å; Y114-F236 AromaticContact CD1-CD2 3.79Å; Y114-F236 HydrophobicContact CD1-CD2 3.79Å; Y114-F236 HydrophobicContact CD1-CE2 4.01Å; Y114-F236 AromaticContact CE1-CD2 3.86Å; Y114-F236 HydrophobicContact CE1-CD2 3.86Å; Y114-F236 HydrophobicContact CE1-CE2 4.28Å; Y114-F236 HydrophobicContact CE1-CG 4.31Å; Y114-D237 PolarHBondContact OH-N 3.03Å; Y114-L240 HydrophobicContact CE2-CD2 4.23Å; Y114-L240 HydrophobicContact CE2-CG 4.43Å; Y114-F241 HydrophobicContact CD1-CB 4.13Å; Y114-F241 AromaticContact CD1-CD2 3.5Å; Y114-F241 HydrophobicContact CD1-CD2 3.5Å; Y114-F241 VanDerWaalsContact CD1-CD2 3.5Å; Y114-F241 HydrophobicContact CD1-CE2 4.34Å; Y114-F241 HydrophobicContact CD1-CG 4.16Å; Y114-F241 HydrophobicContact CD2-CD2 4.4Å; Y114-F241 HydrophobicContact CE1-CB 3.83Å; Y114-F241 HydrophobicContact CE1-CD2 4.11Å; Y114-F241 HydrophobicContact CE1-CG 4.35Å; Y114-F241 AromaticContact CG-CD2 3.66Å; Y114-F241 HydrophobicContact CG-CD2 3.66Å; Y114-F241 HydrophobicContact CG-CE2 4.36Å; Y114-R245 HydrophobicContact CD2-CG 4.21Å; Y114-R245 HydrophobicContact CG-CG 4.4Å
115	V	95.2	Very high	96	Very high	77 Å²	77	60.4 Å²	60.4	47%	0.467	32%	0.316	S	S	.	.	H	α-helix	trans	-93.8	-40.9	-172.8	177.3	0	0	0	0	112.6	V111 F236	V111-V115 HydrophobicContact CG1-CG2 4.25Å; V111-V115 WeakPolarHBondContact O-CB 3.22Å; V111-V115 WeakPolarHBondContact O-CG2 2.91Å; V111-V115 PolarHBondContact O-N 3.37Å; V115-F236 HydrophobicContact CG2-CD2 3.71Å; V115-F236 HydrophobicContact CG2-CE2 4.45Å
116	C	95.3	Very high	95.6	Very high	71 Å²	71	60.5 Å²	60.5	48%	0.48	32%	0.324	S	S	.	.	H	α-helix	trans	-96.9	-21.2	-167.8	-57.6	0	0	0	0	113.3	F112 P118	F112-C116 HydrophobicContact CD2-CB 3.78Å; F112-C116 HydrophobicContact CE2-CB 3.71Å; F112-C116 HydrophobicContact CG-CB 4.41Å; F112-C116 HydrophobicContact CZ-CB 4.29Å; F112-C116 WeakPolarHBondContact O-CA 3.44Å; F112-C116 WeakPolarHBondContact O-CB 3.22Å; F112-C116 PolarHBondContact O-N 3.05Å; C116-P118 WeakPolarHBondContact O-CD 3.27Å
117	I	94.8	Very high	95.1	Very high	48 Å²	48	62 Å²	62	25%	0.246	35%	0.352	C	S	.	.			trans	-108.1	104.1	-173.6	-51.7	-58.1	0	0	0	109.8	F112 L113 N149	F112-I117 HydrophobicContact CD1-CG1 4.35Å; F112-I117 HydrophobicContact CE1-CD1 3.76Å; F112-I117 HydrophobicContact CE1-CG1 3.94Å; F112-I117 HydrophobicContact CZ-CD1 3.88Å; F112-I117 HydrophobicContact CZ-CG1 4.44Å; L113-I117 HydrophobicContact CD2-CG1 4.07Å; L113-I117 WeakPolarHBondContact O-CB 3.49Å; I117-N149 PolarHBondContact O-ND2 3.07Å
118	P	93.4	Very high	94.9	Very high	78 Å²	78	61.4 Å²	61.4	51%	0.506	35%	0.347	S	S	.	.			trans	-67.1	153.8	175.5	29.2	-34.5	0	0	0	110.9	C116 V120 E147 Q152	C116-P118 WeakPolarHBondContact O-CD 3.27Å; P118-V120 PolarHBondContact O-N 3.35Å; P118-E147 WeakPolarHBondContact CA-OE1 3.46Å; P118-Q152 PolarHBondContact O-NE2 3.18Å
119	D	95.3	Very high	94.6	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	34%	0.338	C	S	.	.			trans	-69.6	115.9	174.5	-171.9	63.2	0	0	0	109.8	T121 H122 G131 E147 I148 N149	D119-T121 WeakPolarHBondContact OD1-CB 3.41Å; D119-H122 PolarHBondContact O-CE1 3.3Å; D119-H122 PolarHBondContact O-ND1 3.49Å; D119-H122 VanDerWaalsContact O-ND1 3.09Å; D119-H122 WeakPolarHBondContact OD2-CB 3.39Å; D119-H122 IonicContact OD2-CE1 3.89Å; D119-H122 IonicContact OD2-CG 2.75Å; D119-H122 VanDerWaalsContact OD2-CG 3.29Å; D119-H122 PolarHBondContact OD2-N 3.35Å; D119-H122 IonicContact OD2-ND1 3.23Å; D119-H122 PolarHBondContact OD2-ND1 3.44Å; D119-G131 PolarHBondContact OD2-N 3.47Å; D119-E147 PolarHBondContact N-OE1 3.22Å; D119-I148 WeakPolarHBondContact CB-O 3.42Å; D119-I148 VanDerWaalsContact CG-O 3.27Å; D119-N149 HydrophobicContact CB-CB 3.75Å
120	V	95.6	Very high	94.4	Very high	64 Å²	64	57.8 Å²	57.8	39%	0.388	33%	0.327	S	S	.	.			trans	-103.7	-15.6	169.1	-62.3	0	0	0	0	111.2	P118 H122 K123 F124	P118-V120 PolarHBondContact O-N 3.35Å; V120-H122 VanDerWaalsContact C-N 3.33Å; V120-H122 PolarHBondContact O-N 2.95Å; V120-K123 WeakPolarHBondContact O-CB 3.36Å; V120-K123 PolarHBondContact O-N 3.45Å; V120-F124 HydrophobicContact CB-CE2 4.36Å; V120-F124 VanDerWaalsContact O-CD2 3.23Å; V120-F124 WeakPolarHBondContact O-CD2 3.31Å
121	T	93.4	Very high	94.3	Very high	17 Å²	17	58 Å²	58	10%	0.104	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-37.3	-176	-58.8	0	0	0	0	111.9	D119 K123 F124 I125 Y128 L151 Q152	D119-T121 WeakPolarHBondContact OD1-CB 3.41Å; T121-K123 PolarHBondContact O-N 2.88Å; T121-K123 VanDerWaalsContact O-N 3.13Å; T121-F124 PolarHBondContact O-N 2.87Å; T121-F124 VanDerWaalsContact O-N 3.12Å; T121-I125 HydrophobicContact CG2-CB 4.48Å; T121-I125 HydrophobicContact CG2-CD1 3.27Å; T121-I125 HydrophobicContact CG2-CG1 3.75Å; T121-I125 PolarHBondContact O-N 2.86Å; T121-Y128 HydrophobicContact CG2-CD1 4.12Å; T121-Y128 HydrophobicContact CG2-CE1 4.17Å; T121-L151 HydrophobicContact CG2-CD2 4.25Å; T121-Q152 VanDerWaalsContact N-OE1 3.09Å; T121-Q152 WeakPolarHBondContact OG1-CB 3.38Å; T121-Q152 WeakPolarHBondContact OG1-CG 3.33Å; T121-Q152 PolarHBondContact OG1-OE1 2.91Å
122	H	93.3	Very high	94.2	Very high	66 Å²	66	59 Å²	59	31%	0.306	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-20.2	174.8	74.8	-87	0	0	0	114.8	D119 V120 Y128	D119-H122 PolarHBondContact O-CE1 3.3Å; D119-H122 PolarHBondContact O-ND1 3.49Å; D119-H122 VanDerWaalsContact O-ND1 3.09Å; D119-H122 WeakPolarHBondContact OD2-CB 3.39Å; D119-H122 IonicContact OD2-CE1 3.89Å; D119-H122 IonicContact OD2-CG 2.75Å; D119-H122 VanDerWaalsContact OD2-CG 3.29Å; D119-H122 PolarHBondContact OD2-N 3.35Å; D119-H122 IonicContact OD2-ND1 3.23Å; D119-H122 PolarHBondContact OD2-ND1 3.44Å; V120-H122 VanDerWaalsContact C-N 3.33Å; V120-H122 PolarHBondContact O-N 2.95Å; H122-Y128 HydrophobicContact CB-CD1 3.93Å; H122-Y128 HydrophobicContact CB-CE1 4.14Å
123	K	94	Very high	94.1	Very high	146 Å²	146	56.9 Å²	56.9	64%	0.635	33%	0.327	S	S	*	.	H	α-helix	trans	-77.5	-25.7	178.7	-61.6	179.7	178.6	174.5	0	112.3	V120 T121	V120-K123 WeakPolarHBondContact O-CB 3.36Å; V120-K123 PolarHBondContact O-N 3.45Å; T121-K123 PolarHBondContact O-N 2.88Å; T121-K123 VanDerWaalsContact O-N 3.13Å
124	F	93.9	Very high	94	Very high	163 Å²	163	61.4 Å²	61.4	72%	0.715	35%	0.351	S	S	*	.	H	α-helix	trans	-110.4	-24.6	-173.1	-55.9	-71.3	0	0	0	113.4	V120 T121 P126	V120-F124 HydrophobicContact CB-CE2 4.36Å; V120-F124 VanDerWaalsContact O-CD2 3.23Å; V120-F124 WeakPolarHBondContact O-CD2 3.31Å; T121-F124 PolarHBondContact O-N 2.87Å; T121-F124 VanDerWaalsContact O-N 3.12Å; F124-P126 WeakPolarHBondContact O-CD 3.33Å
125	I	94.1	Very high	93.8	Very high	49 Å²	49	61.6 Å²	61.6	25%	0.251	36%	0.355	S	S	.	.	S	Bend	trans	-97.3	108.8	-179.1	-58.6	-166.8	0	0	0	110.1	T121 G127 Y128 L151 W289	T121-I125 HydrophobicContact CG2-CB 4.48Å; T121-I125 HydrophobicContact CG2-CD1 3.27Å; T121-I125 HydrophobicContact CG2-CG1 3.75Å; T121-I125 PolarHBondContact O-N 2.86Å; I125-G127 PolarHBondContact O-N 3.08Å; I125-Y128 PolarHBondContact O-N 3.02Å; I125-L151 HydrophobicContact CD1-CD2 4.39Å; I125-W289 HydrophobicContact CG2-CH2 3.28Å; I125-W289 HydrophobicContact CG2-CZ2 4.21Å; I125-W289 HydrophobicContact CG2-CZ3 3.63Å
126	P	90.7	Very high	93.5	Very high	121 Å²	121	59.8 Å²	59.8	79%	0.786	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	133.2	177.6	-21.3	34.2	0	0	0	111.4	F124 Y128	F124-P126 WeakPolarHBondContact O-CD 3.33Å; P126-Y128 VanDerWaalsContact C-N 3.26Å; P126-Y128 PolarHBondContact O-N 3.19Å
127	G	86.3	Confident	93.1	Very high	69 Å²	69	63 Å²	63	71%	0.711	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-8.7	176.2	0	0	0	0	0	115.6	I125	I125-G127 PolarHBondContact O-N 3.08Å
128	Y	93.6	Very high	92.8	Very high	11 Å²	11	61 Å²	61	4%	0.043	34%	0.341	C	S	.	.			trans	-77	132.2	168.8	173	-120.4	0	0	0	110.2	T121 H122 I125 P126 L151 W289	T121-Y128 HydrophobicContact CG2-CD1 4.12Å; T121-Y128 HydrophobicContact CG2-CE1 4.17Å; H122-Y128 HydrophobicContact CB-CD1 3.93Å; H122-Y128 HydrophobicContact CB-CE1 4.14Å; I125-Y128 PolarHBondContact O-N 3.02Å; P126-Y128 VanDerWaalsContact C-N 3.26Å; P126-Y128 PolarHBondContact O-N 3.19Å; Y128-L151 HydrophobicContact CD1-CD2 4.38Å; Y128-L151 HydrophobicContact CD2-CD2 3.98Å; Y128-L151 HydrophobicContact CE1-CB 4.48Å; Y128-L151 HydrophobicContact CE1-CD2 4.37Å; Y128-L151 HydrophobicContact CE2-CB 4.01Å; Y128-L151 HydrophobicContact CE2-CD2 3.95Å; Y128-L151 HydrophobicContact CG-CD2 4.22Å; Y128-W289 WeakPolarHBondContact CD2-O 3.32Å
129	V	93	Very high	92.2	Very high	55 Å²	55	60.1 Å²	60.1	33%	0.333	34%	0.335	S	S	.	.			trans	-106.4	91.8	179.7	-176.2	0	0	0	0	108.6	Q133 A292	V129-Q133 HydrophobicContact CG1-CG 4.48Å; V129-A292 HydrophobicContact CB-CB 4.2Å; V129-A292 HydrophobicContact CG1-CB 3.83Å; V129-A292 WeakPolarHBondContact O-CB 3.15Å
130	G	93.8	Very high	91.8	Very high	4 Å²	4	61.5 Å²	61.5	4%	0.041	35%	0.347	C	S	.	.			trans	-118.6	-164.3	176.3	0	0	0	0	0	113.1	Q133 I148	G130-Q133 PolarHBondContact O-NE2 3.2Å; G130-I148 CarbonylContact C-O 3.51Å; G130-I148 WeakPolarHBondContact CA-O 3.47Å
131	G	95.4	Very high	91.3	Very high	4 Å²	4	59.6 Å²	59.6	4%	0.041	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.4	-158.4	-178.7	0	0	0	0	0	113.3	D119 Q133 I148	D119-G131 PolarHBondContact OD2-N 3.47Å; G131-Q133 PolarHBondContact O-N 3.38Å; G131-I148 PolarHBondContact N-O 3.43Å; G131-I148 WeakPolarHBondContact O-CB 3.45Å; G131-I148 PolarHBondContact O-N 3.33Å
132	V	96.1	Very high	91	Very high	73 Å²	73	62.9 Å²	62.9	44%	0.442	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	114.9	-178.6	-176.8	0	0	0	0	110.7	K145 Y146 E147 W235	V132-K145 HydrophobicContact CG1-CB 4.17Å; V132-K145 HydrophobicContact CG1-CD 4.06Å; V132-Y146 CarbonylContact C-O 3.55Å; V132-Y146 WeakPolarHBondContact CA-O 3.39Å; V132-E147 WeakPolarHBondContact CG2-OE2 3.45Å; V132-E147 PolarHBondContact N-OE2 2.96Å; V132-W235 HydrophobicContact CG1-CH2 4.46Å; V132-W235 HydrophobicContact CG1-CZ3 4.42Å; V132-W235 HydrophobicContact CG2-CH2 4.31Å; V132-W235 HydrophobicContact CG2-CZ3 4.43Å
133	Q	95.8	Very high	90.9	Very high	62 Å²	62	64.3 Å²	64.3	29%	0.29	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148	176.5	-59.9	-59.1	-42.9	0	0	111.2	V129 G130 G131 Y146 I148 A292 L295	V129-Q133 HydrophobicContact CG1-CG 4.48Å; G130-Q133 PolarHBondContact O-NE2 3.2Å; G131-Q133 PolarHBondContact O-N 3.38Å; Q133-Y146 PolarHBondContact N-O 2.96Å; Q133-Y146 PolarHBondContact O-N 3.45Å; Q133-I148 HydrophobicContact CB-CG1 3.86Å; Q133-I148 HydrophobicContact CG-CB 4.28Å; Q133-I148 HydrophobicContact CG-CG1 3.65Å; Q133-A292 HydrophobicContact CG-CB 4.13Å; Q133-L295 HydrophobicContact CB-CD1 4.1Å
134	D	94.8	Very high	90.9	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.1	172.7	-70.3	-28.7	0	0	0	110.2	I143 K145	D134-I143 HydrophobicContact CB-CG2 3.84Å; D134-K145 WeakPolarHBondContact OD1-CE 3.46Å
135	G	92.3	Very high	91	Very high	13 Å²	13	55.4 Å²	55.4	13%	0.134	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-176.6	171.3	0	0	0	0	0	112.9	N144	G135-N144 PolarHBondContact N-O 2.91Å
136	A	88.6	Confident	91	Very high	40 Å²	40	53.2 Å²	53.2	33%	0.331	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	154	173.4	0	0	0	0	0	112.3	T138 C301	A136-T138 PolarHBondContact O-N 3.29Å; A136-C301 HydrophobicContact CB-CB 4.35Å; A136-C301 WeakPolarHBondContact CB-SG 3.37Å
137	R	87.1	Confident	91.3	Very high	137 Å²	137	49 Å²	49	52%	0.517	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.7	173.1	-167.6	176.9	-171.3	-156.5	-4.7	109.9	F142 I143 D389	R137-F142 CarbonylContact C-O 3.55Å; R137-F142 VanDerWaalsContact CA-O 3.31Å; R137-F142 WeakPolarHBondContact CA-O 3.38Å; R137-I143 HydrophobicContact CB-CG1 4.36Å; R137-I143 HydrophobicContact CG-CG1 4.44Å; R137-D389 IonicContact CZ-OD2 3.92Å; R137-D389 IonicContact NH1-OD2 3.09Å; R137-D389 PolarHBondContact NH1-OD2 2.69Å; R137-D389 VanDerWaalsContact NH1-OD2 3.09Å; R137-D389 IonicContact NH2-OD2 3.83Å
138	T	88.5	Confident	91.8	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.037	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-74.1	167	175.5	78	0	0	0	0	111.1	A136 A140 G141 F142 D211 F228	A136-T138 PolarHBondContact O-N 3.29Å; T138-A140 VanDerWaalsContact C-N 3.29Å; T138-A140 PolarHBondContact O-N 3.38Å; T138-G141 WeakPolarHBondContact O-CA 3.27Å; T138-G141 PolarHBondContact O-N 3.08Å; T138-F142 HydrophobicContact CG2-CB 4.24Å; T138-F142 PolarHBondContact N-O 3.45Å; T138-F142 PolarHBondContact OG1-N 2.93Å; T138-D211 WeakPolarHBondContact CB-OD2 3.41Å; T138-D211 PolarHBondContact OG1-OD1 3.46Å; T138-D211 PolarHBondContact OG1-OD2 2.7Å; T138-F228 HydrophobicContact CG2-CD1 4Å; T138-F228 HydrophobicContact CG2-CE1 3.86Å
139	P	81.4	Confident	91.9	Very high	60 Å²	60	45.1 Å²	45.1	39%	0.39	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-40.4	175.6	-27.4	35.3	0	0	0	113.9	W32 G141 D211	W32-P139 HydrophobicContact CD2-CG 3.51Å; W32-P139 HydrophobicContact CE3-CB 4.36Å; W32-P139 HydrophobicContact CE3-CG 3.2Å; W32-P139 HydrophobicContact CG-CG 4.37Å; W32-P139 HydrophobicContact CH2-CG 3.19Å; W32-P139 VanDerWaalsContact CZ2-CD 3.48Å; W32-P139 HydrophobicContact CZ2-CG 3.5Å; W32-P139 VanDerWaalsContact CZ2-CG 3.5Å; W32-P139 HydrophobicContact CZ3-CB 4.47Å; W32-P139 HydrophobicContact CZ3-CG 3.07Å; P139-G141 PolarHBondContact O-N 3.24Å; P139-D211 VanDerWaalsContact CD-OD1 3.25Å; P139-D211 WeakPolarHBondContact CD-OD1 3.4Å
140	A	85.6	Confident	92.1	Very high	32 Å²	32	42.5 Å²	42.5	26%	0.264	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.4	174.1	0	0	0	0	0	113	T138 F142 E210 D211	T138-A140 VanDerWaalsContact C-N 3.29Å; T138-A140 PolarHBondContact O-N 3.38Å; A140-F142 HydrophobicContact CB-CD2 3.65Å; A140-F142 HydrophobicContact CB-CE2 3.54Å; A140-E210 HydrophobicContact CB-CB 3.55Å; A140-D211 WeakPolarHBondContact CB-OD1 3.42Å; A140-D211 PolarHBondContact N-OD1 2.88Å
141	G	85.2	Confident	92.2	Very high	24 Å²	24	42.8 Å²	42.8	25%	0.247	23%	0.231	C	C	.	.			trans	91.2	4.9	171.8	0	0	0	0	0	115	T138 P139	T138-G141 WeakPolarHBondContact O-CA 3.27Å; T138-G141 PolarHBondContact O-N 3.08Å; P139-G141 PolarHBondContact O-N 3.24Å
142	F	87.4	Confident	92.3	Very high	86 Å²	86	43.1 Å²	43.1	38%	0.377	23%	0.232	S	C	.	.			trans	-74	150.7	179.4	-62.6	-79.7	0	0	0	112	R137 T138 A140	R137-F142 CarbonylContact C-O 3.55Å; R137-F142 VanDerWaalsContact CA-O 3.31Å; R137-F142 WeakPolarHBondContact CA-O 3.38Å; T138-F142 HydrophobicContact CG2-CB 4.24Å; T138-F142 PolarHBondContact N-O 3.45Å; T138-F142 PolarHBondContact OG1-N 2.93Å; A140-F142 HydrophobicContact CB-CD2 3.65Å; A140-F142 HydrophobicContact CB-CE2 3.54Å
143	I	92.1	Very high	92.4	Very high	97 Å²	97	39.8 Å²	39.8	50%	0.497	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.3	171.3	-61.9	176	0	0	0	107.4	D134 R137	D134-I143 HydrophobicContact CB-CG2 3.84Å; R137-I143 HydrophobicContact CB-CG1 4.36Å; R137-I143 HydrophobicContact CG-CG1 4.44Å
144	N	93.1	Very high	92.5	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.118	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	139.5	179.3	-76.2	-22.1	0	0	0	110.7	G135 Y146	G135-N144 PolarHBondContact N-O 2.91Å; N144-Y146 HydrophobicContact CB-CD2 4.36Å; N144-Y146 HydrophobicContact CB-CE2 3.55Å; N144-Y146 WeakPolarHBondContact O-CD2 3.41Å; N144-Y146 WeakPolarHBondContact O-CE2 3.13Å
145	K	95.3	Very high	92.6	Very high	99 Å²	99	37.6 Å²	37.6	43%	0.43	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	143	171.3	-62.5	-163.8	173.3	-164.6	0	110.7	V132 D134 R231 W235	V132-K145 HydrophobicContact CG1-CB 4.17Å; V132-K145 HydrophobicContact CG1-CD 4.06Å; D134-K145 WeakPolarHBondContact OD1-CE 3.46Å; K145-R231 PolarHBondContact O-NH1 3.43Å; K145-R231 PolarHBondContact O-NH2 3.21Å; K145-W235 HydrophobicContact CB-CZ3 4.18Å
146	Y	95.8	Very high	92.9	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.9	-178.5	-66.1	-96.9	0	0	0	109.7	V132 Q133 N144 R231 D237 L240 L295	V132-Y146 CarbonylContact C-O 3.55Å; V132-Y146 WeakPolarHBondContact CA-O 3.39Å; Q133-Y146 PolarHBondContact N-O 2.96Å; Q133-Y146 PolarHBondContact O-N 3.45Å; N144-Y146 HydrophobicContact CB-CD2 4.36Å; N144-Y146 HydrophobicContact CB-CE2 3.55Å; N144-Y146 WeakPolarHBondContact O-CD2 3.41Å; N144-Y146 WeakPolarHBondContact O-CE2 3.13Å; Y146-R231 PolarHBondContact OH-NH2 3.36Å; Y146-D237 HydrophobicContact CD1-CB 4.23Å; Y146-D237 HydrophobicContact CE1-CB 3.79Å; Y146-D237 VanDerWaalsContact CE1-CG 3.42Å; Y146-D237 VanDerWaalsContact CE1-OD2 3.3Å; Y146-D237 WeakPolarHBondContact CE1-OD2 3.33Å; Y146-D237 PolarHBondContact OH-OD2 3.2Å; Y146-D237 VanDerWaalsContact OH-OD2 3.1Å; Y146-L240 HydrophobicContact CD1-CB 4.35Å; Y146-L240 HydrophobicContact CD1-CD2 3.65Å; Y146-L240 HydrophobicContact CE1-CB 4.39Å; Y146-L240 HydrophobicContact CE1-CD2 4.46Å; Y146-L240 HydrophobicContact CG-CD2 4.39Å; Y146-L295 HydrophobicContact CD1-CD2 3.7Å; Y146-L295 HydrophobicContact CD2-CD1 3.83Å; Y146-L295 HydrophobicContact CD2-CD2 3.82Å; Y146-L295 HydrophobicContact CD2-CG 4.45Å; Y146-L295 HydrophobicContact CE1-CD2 3.96Å; Y146-L295 HydrophobicContact CE2-CD2 4.13Å; Y146-L295 HydrophobicContact CG-CD1 4.02Å; Y146-L295 HydrophobicContact CG-CD2 3.61Å; Y146-L295 HydrophobicContact CG-CG 4.48Å
147	E	95.4	Very high	93.3	Very high	32 Å²	32	38.1 Å²	38.1	15%	0.15	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.9	167.5	-175.6	67.3	-171.2	0	0	108.5	P118 D119 V132 N149	P118-E147 WeakPolarHBondContact CA-OE1 3.46Å; D119-E147 PolarHBondContact N-OE1 3.22Å; V132-E147 WeakPolarHBondContact CG2-OE2 3.45Å; V132-E147 PolarHBondContact N-OE2 2.96Å; E147-N149 HydrophobicContact CG-CB 4.46Å; E147-N149 PolarHBondContact O-N 3.01Å
148	I	96.8	Very high	93.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	90.8	-178.3	-57.2	-54.6	0	0	0	108.9	D119 G130 G131 Q133 L240 E291 A292 L295	D119-I148 WeakPolarHBondContact CB-O 3.42Å; D119-I148 VanDerWaalsContact CG-O 3.27Å; G130-I148 CarbonylContact C-O 3.51Å; G130-I148 WeakPolarHBondContact CA-O 3.47Å; G131-I148 PolarHBondContact N-O 3.43Å; G131-I148 WeakPolarHBondContact O-CB 3.45Å; G131-I148 PolarHBondContact O-N 3.33Å; Q133-I148 HydrophobicContact CB-CG1 3.86Å; Q133-I148 HydrophobicContact CG-CB 4.28Å; Q133-I148 HydrophobicContact CG-CG1 3.65Å; I148-L240 HydrophobicContact CD1-CD2 3.95Å; I148-E291 HydrophobicContact CD1-CG 4.35Å; I148-E291 HydrophobicContact CG2-CB 3.81Å; I148-E291 HydrophobicContact CG2-CG 4.02Å; I148-E291 VanDerWaalsContact CG2-OE2 3.31Å; I148-E291 WeakPolarHBondContact CG2-OE2 3.33Å; I148-A292 HydrophobicContact CG1-CB 4.4Å; I148-A292 HydrophobicContact CG2-CB 4.29Å; I148-L295 HydrophobicContact CD1-CD1 4.03Å; I148-L295 HydrophobicContact CD1-CD2 4.21Å; I148-L295 HydrophobicContact CD1-CG 4.18Å; I148-L295 HydrophobicContact CG1-CD1 4.49Å
149	N	96.8	Very high	94.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.			trans	-122.5	12.2	-177.6	72.2	-11.4	0	0	0	113.7	L113 I117 D119 E147 L151 Q152 C153 R245	L113-N149 PolarHBondContact O-ND2 3.45Å; I117-N149 PolarHBondContact O-ND2 3.07Å; D119-N149 HydrophobicContact CB-CB 3.75Å; E147-N149 HydrophobicContact CG-CB 4.46Å; E147-N149 PolarHBondContact O-N 3.01Å; N149-L151 PolarHBondContact O-N 3.23Å; N149-Q152 WeakPolarHBondContact O-CB 3.23Å; N149-Q152 PolarHBondContact O-N 3.45Å; N149-Q152 VanDerWaalsContact O-N 3.08Å; N149-C153 VanDerWaalsContact CG-SG 3.54Å; N149-C153 PolarHBondContact O-N 2.71Å; N149-C153 PolarHBondContact O-SG 2.93Å; N149-C153 PolarHBondContact OD1-SG 3.35Å; N149-R245 PolarHBondContact OD1-NH2 2.9Å
150	G	96.6	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-39.4	-169.6	0	0	0	0	0	113.8	Q152 C153 W154 R245 F288 E291	G150-Q152 VanDerWaalsContact C-N 3.31Å; G150-Q152 PolarHBondContact O-N 2.88Å; G150-C153 PolarHBondContact O-N 3.44Å; G150-W154 WeakPolarHBondContact O-CB 3.35Å; G150-W154 PolarHBondContact O-N 3.23Å; G150-R245 VanDerWaalsContact CA-CZ 3.45Å; G150-R245 VanDerWaalsContact CA-NH2 3.29Å; G150-R245 VanDerWaalsContact N-NH2 3.19Å; G150-F288 VanDerWaalsContact C-CD1 3.46Å; G150-E291 WeakPolarHBondContact CA-OE2 3.35Å; G150-E291 PolarHBondContact N-OE2 2.95Å
151	L	97.1	Very high	95.7	Very high	9 Å²	9	35.3 Å²	35.3	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-60.8	-42.5	174.4	-177.2	60.5	0	0	0	111.3	T121 I125 Y128 N149 W154 I155 L285 F288 W289	T121-L151 HydrophobicContact CG2-CD2 4.25Å; I125-L151 HydrophobicContact CD1-CD2 4.39Å; Y128-L151 HydrophobicContact CD1-CD2 4.38Å; Y128-L151 HydrophobicContact CD2-CD2 3.98Å; Y128-L151 HydrophobicContact CE1-CB 4.48Å; Y128-L151 HydrophobicContact CE1-CD2 4.37Å; Y128-L151 HydrophobicContact CE2-CB 4.01Å; Y128-L151 HydrophobicContact CE2-CD2 3.95Å; Y128-L151 HydrophobicContact CG-CD2 4.22Å; N149-L151 PolarHBondContact O-N 3.23Å; L151-W154 PolarHBondContact O-N 2.88Å; L151-I155 HydrophobicContact CD1-CD1 4.26Å; L151-I155 HydrophobicContact CD1-CG1 4.46Å; L151-I155 HydrophobicContact CG-CD1 3.98Å; L151-I155 VanDerWaalsContact O-CG1 3.25Å; L151-I155 WeakPolarHBondContact O-CG1 3.24Å; L151-I155 PolarHBondContact O-N 2.93Å; L151-L285 HydrophobicContact CD1-CD2 4.29Å; L151-F288 HydrophobicContact CB-CB 4.11Å; L151-F288 HydrophobicContact CD1-CB 4.18Å; L151-W289 HydrophobicContact CD2-CE3 3.96Å; L151-W289 HydrophobicContact CD2-CZ3 4.42Å
152	Q	97.2	Very high	96.3	Very high	12 Å²	12	39.9 Å²	39.9	6%	0.056	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-44.6	176.4	-170.3	171.8	-64.8	0	0	111.9	P118 T121 N149 G150 W154 I155 I156	P118-Q152 PolarHBondContact O-NE2 3.18Å; T121-Q152 VanDerWaalsContact N-OE1 3.09Å; T121-Q152 WeakPolarHBondContact OG1-CB 3.38Å; T121-Q152 WeakPolarHBondContact OG1-CG 3.33Å; T121-Q152 PolarHBondContact OG1-OE1 2.91Å; N149-Q152 WeakPolarHBondContact O-CB 3.23Å; N149-Q152 PolarHBondContact O-N 3.45Å; N149-Q152 VanDerWaalsContact O-N 3.08Å; G150-Q152 VanDerWaalsContact C-N 3.31Å; G150-Q152 PolarHBondContact O-N 2.88Å; Q152-W154 VanDerWaalsContact C-N 3.28Å; Q152-W154 PolarHBondContact O-N 2.92Å; Q152-I155 PolarHBondContact O-N 3.37Å; Q152-I156 HydrophobicContact CG-CD1 3.89Å; Q152-I156 HydrophobicContact CG-CG1 4.5Å; Q152-I156 VanDerWaalsContact O-CG1 3.3Å; Q152-I156 WeakPolarHBondContact O-CG1 3.34Å; Q152-I156 PolarHBondContact O-N 3.1Å
153	C	97.6	Very high	96.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-42.5	175.3	-60.9	0	0	0	0	111.4	L113 N149 G150 T157	L113-C153 HydrophobicContact CB-CB 4.3Å; L113-C153 HydrophobicContact CD1-CB 4.15Å; N149-C153 VanDerWaalsContact CG-SG 3.54Å; N149-C153 PolarHBondContact O-N 2.71Å; N149-C153 PolarHBondContact O-SG 2.93Å; N149-C153 PolarHBondContact OD1-SG 3.35Å; G150-C153 PolarHBondContact O-N 3.44Å; C153-T157 VanDerWaalsContact O-CB 3.27Å; C153-T157 WeakPolarHBondContact O-CB 3.33Å; C153-T157 PolarHBondContact O-N 3.43Å; C153-T157 PolarHBondContact O-OG1 3.47Å
154	W	97.9	Very high	97.1	Very high	42 Å²	42	32.2 Å²	32.2	16%	0.159	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-49.3	177.3	-173.8	94.9	0	0	0	111.1	G150 L151 Q152 I156 T157 H158 V249 T252 L285 F288	G150-W154 WeakPolarHBondContact O-CB 3.35Å; G150-W154 PolarHBondContact O-N 3.23Å; L151-W154 PolarHBondContact O-N 2.88Å; Q152-W154 VanDerWaalsContact C-N 3.28Å; Q152-W154 PolarHBondContact O-N 2.92Å; W154-I156 PolarHBondContact O-N 2.88Å; W154-T157 PolarHBondContact O-N 3.46Å; W154-H158 AromaticContact CD1-CE1 3.36Å; W154-H158 AromaticContact CD1-ND1 3.66Å; W154-H158 AromaticContact CD2-CE1 3.89Å; W154-H158 AromaticContact CD2-ND1 3.51Å; W154-H158 AromaticContact CE2-CD2 3.94Å; W154-H158 AromaticContact CE2-CE1 3.38Å; W154-H158 AromaticContact CE2-CG 3.76Å; W154-H158 AromaticContact CE2-ND1 3.39Å; W154-H158 AromaticContact CE2-NE2 3.71Å; W154-H158 AromaticContact CG-CE1 3.89Å; W154-H158 AromaticContact CG-ND1 3.69Å; W154-H158 HydrophobicContact CH2-CB 4.28Å; W154-H158 HydrophobicContact CZ2-CB 4.5Å; W154-H158 AromaticContact CZ2-CD2 3.71Å; W154-H158 AromaticContact CZ2-CE1 3.95Å; W154-H158 AromaticContact CZ2-CG 3.76Å; W154-H158 AromaticContact CZ2-ND1 3.89Å; W154-H158 AromaticContact CZ2-NE2 3.83Å; W154-H158 HydrophobicContact CZ3-CB 4.28Å; W154-H158 AromaticContact NE1-CE1 3.05Å; W154-H158 PolarHBondContact NE1-CE1 2.82Å; W154-H158 AromaticContact NE1-ND1 3.5Å; W154-H158 AromaticContact NE1-NE2 3.54Å; W154-H158 PolarHBondContact O-N 3.47Å; W154-H158 PolarHBondContact O-ND1 3.32Å; W154-V249 HydrophobicContact CB-CG2 4.49Å; W154-T252 PolarHBondContact NE1-OG1 3.48Å; W154-L285 HydrophobicContact CD2-CD2 3.83Å; W154-L285 HydrophobicContact CE3-CD2 3.59Å; W154-L285 HydrophobicContact CH2-CD1 4.2Å; W154-L285 HydrophobicContact CH2-CD2 3.67Å; W154-L285 HydrophobicContact CH2-CG 4.14Å; W154-L285 HydrophobicContact CZ2-CD1 4.48Å; W154-L285 HydrophobicContact CZ2-CD2 3.86Å; W154-L285 HydrophobicContact CZ2-CG 4.09Å; W154-L285 HydrophobicContact CZ3-CD2 3.53Å; W154-L285 HydrophobicContact CZ3-CG 4.48Å; W154-F288 HydrophobicContact CB-CD2 3.9Å; W154-F288 HydrophobicContact CB-CE2 4.08Å; W154-F288 HydrophobicContact CB-CG 4.41Å; W154-F288 AromaticContact CD1-CD2 3.66Å; W154-F288 AromaticContact CD1-CE2 3.43Å; W154-F288 VanDerWaalsContact CD1-CE2 3.43Å; W154-F288 AromaticContact CG-CD2 3.88Å; W154-F288 HydrophobicContact CG-CD2 3.88Å; W154-F288 HydrophobicContact CG-CE2 4.01Å
155	I	97.6	Very high	97.2	Very high	73 Å²	73	32.2 Å²	32.2	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-58.2	-50.6	179	-71	165.7	0	0	0	110.5	L151 Q152 T157 H158 A159	L151-I155 HydrophobicContact CD1-CD1 4.26Å; L151-I155 HydrophobicContact CD1-CG1 4.46Å; L151-I155 HydrophobicContact CG-CD1 3.98Å; L151-I155 VanDerWaalsContact O-CG1 3.25Å; L151-I155 WeakPolarHBondContact O-CG1 3.24Å; L151-I155 PolarHBondContact O-N 2.93Å; Q152-I155 PolarHBondContact O-N 3.37Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 3.44Å; I155-H158 PolarHBondContact O-N 3.4Å; I155-A159 WeakPolarHBondContact O-CB 3.38Å; I155-A159 PolarHBondContact O-N 3.04Å
156	I	98.1	Very high	97.2	Very high	56 Å²	56	31.4 Å²	31.4	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-60.3	-46.8	-179.4	-67	167.9	0	0	0	110.2	F109 L113 Q152 W154 H158 L160	F109-I156 HydrophobicContact CZ-CG2 4.15Å; L113-I156 HydrophobicContact CD2-CD1 4.17Å; L113-I156 HydrophobicContact CD2-CG2 4.12Å; Q152-I156 HydrophobicContact CG-CD1 3.89Å; Q152-I156 HydrophobicContact CG-CG1 4.5Å; Q152-I156 VanDerWaalsContact O-CG1 3.3Å; Q152-I156 WeakPolarHBondContact O-CG1 3.34Å; Q152-I156 PolarHBondContact O-N 3.1Å; W154-I156 PolarHBondContact O-N 2.88Å; I156-H158 PolarHBondContact O-N 2.89Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CB 3.27Å; I156-L160 VanDerWaalsContact O-CG 3.23Å; I156-L160 WeakPolarHBondContact O-CG 3.32Å; I156-L160 PolarHBondContact O-N 3.1Å
157	T	98	Very high	97.3	Very high	8 Å²	8	39.6 Å²	39.6	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-48	-179.6	-60.9	0	0	0	0	111.8	W106 Q110 C153 W154 I155 W161 V249 L253	W106-T157 HydrophobicContact CH2-CG2 4.03Å; W106-T157 HydrophobicContact CZ3-CG2 3.65Å; Q110-T157 PolarHBondContact NE2-OG1 3.46Å; Q110-T157 VanDerWaalsContact NE2-OG1 3.09Å; C153-T157 VanDerWaalsContact O-CB 3.27Å; C153-T157 WeakPolarHBondContact O-CB 3.33Å; C153-T157 PolarHBondContact O-N 3.43Å; C153-T157 PolarHBondContact O-OG1 3.47Å; W154-T157 PolarHBondContact O-N 3.46Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 3.44Å; T157-W161 PolarHBondContact O-N 3Å; T157-V249 HydrophobicContact CG2-CG1 3.87Å; T157-L253 HydrophobicContact CG2-CD2 4.4Å
158	H	98.1	Very high	97.4	Very high	16 Å²	16	42.7 Å²	42.7	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-75.8	-36.4	-176.1	-71.1	73.1	0	0	0	112.3	W154 I155 I156 L160 W161 F162 T252	W154-H158 AromaticContact CD1-CE1 3.36Å; W154-H158 AromaticContact CD1-ND1 3.66Å; W154-H158 AromaticContact CD2-CE1 3.89Å; W154-H158 AromaticContact CD2-ND1 3.51Å; W154-H158 AromaticContact CE2-CD2 3.94Å; W154-H158 AromaticContact CE2-CE1 3.38Å; W154-H158 AromaticContact CE2-CG 3.76Å; W154-H158 AromaticContact CE2-ND1 3.39Å; W154-H158 AromaticContact CE2-NE2 3.71Å; W154-H158 AromaticContact CG-CE1 3.89Å; W154-H158 AromaticContact CG-ND1 3.69Å; W154-H158 HydrophobicContact CH2-CB 4.28Å; W154-H158 HydrophobicContact CZ2-CB 4.5Å; W154-H158 AromaticContact CZ2-CD2 3.71Å; W154-H158 AromaticContact CZ2-CE1 3.95Å; W154-H158 AromaticContact CZ2-CG 3.76Å; W154-H158 AromaticContact CZ2-ND1 3.89Å; W154-H158 AromaticContact CZ2-NE2 3.83Å; W154-H158 HydrophobicContact CZ3-CB 4.28Å; W154-H158 AromaticContact NE1-CE1 3.05Å; W154-H158 PolarHBondContact NE1-CE1 2.82Å; W154-H158 AromaticContact NE1-ND1 3.5Å; W154-H158 AromaticContact NE1-NE2 3.54Å; W154-H158 PolarHBondContact O-N 3.47Å; W154-H158 PolarHBondContact O-ND1 3.32Å; I155-H158 PolarHBondContact O-N 3.4Å; I156-H158 PolarHBondContact O-N 2.89Å; H158-L160 VanDerWaalsContact C-N 3.33Å; H158-L160 PolarHBondContact O-N 3.48Å; H158-W161 PolarHBondContact O-N 3.16Å; H158-F162 WeakPolarHBondContact O-CB 3.28Å; H158-F162 PolarHBondContact O-N 2.88Å; H158-T252 PolarHBondContact CE1-OG1 3.15Å; H158-T252 WeakPolarHBondContact NE2-CB 3.41Å; H158-T252 PolarHBondContact NE2-OG1 3.05Å
159	A	98.1	Very high	97.3	Very high	55 Å²	55	49 Å²	49	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-42.1	173.3	0	0	0	0	0	111.2	I155 F162 A163	I155-A159 WeakPolarHBondContact O-CB 3.38Å; I155-A159 PolarHBondContact O-N 3.04Å; A159-F162 PolarHBondContact O-N 3.43Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 2.96Å
160	L	97.8	Very high	97.3	Very high	78 Å²	78	57.7 Å²	57.7	41%	0.408	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-42.7	175.4	-73.7	172.3	0	0	0	112.2	F109 I156 H158 A163 N164	F109-L160 HydrophobicContact CE1-CD1 4.45Å; F109-L160 HydrophobicContact CE2-CD1 4.22Å; F109-L160 HydrophobicContact CZ-CD1 3.62Å; I156-L160 HydrophobicContact CG2-CD1 3.85Å; I156-L160 HydrophobicContact CG2-CG 4.44Å; I156-L160 WeakPolarHBondContact O-CB 3.27Å; I156-L160 VanDerWaalsContact O-CG 3.23Å; I156-L160 WeakPolarHBondContact O-CG 3.32Å; I156-L160 PolarHBondContact O-N 3.1Å; H158-L160 VanDerWaalsContact C-N 3.33Å; H158-L160 PolarHBondContact O-N 3.48Å; L160-A163 PolarHBondContact O-N 2.86Å; L160-N164 VanDerWaalsContact O-CB 3.26Å; L160-N164 WeakPolarHBondContact O-CB 3.39Å; L160-N164 PolarHBondContact O-N 3.46Å
161	W	97.6	Very high	97.3	Very high	27 Å²	27	61.6 Å²	61.6	10%	0.102	29%	0.292	C	S	.	.	H	α-helix	trans	-62.5	-44.9	175.8	-176.5	92.4	0	0	0	111.8	T157 H158 N164 A165 P173 L253 L256	T157-W161 PolarHBondContact O-N 3Å; H158-W161 PolarHBondContact O-N 3.16Å; W161-N164 WeakPolarHBondContact O-CB 3.46Å; W161-N164 PolarHBondContact O-N 3.29Å; W161-A165 HydrophobicContact CZ3-CB 4.49Å; W161-A165 WeakPolarHBondContact O-CB 2.88Å; W161-A165 PolarHBondContact O-N 2.93Å; W161-P173 HydrophobicContact CH2-CB 4.24Å; W161-P173 HydrophobicContact CZ2-CB 3.67Å; W161-L253 HydrophobicContact CB-CD1 3.76Å; W161-L253 VanDerWaalsContact CD1-CD1 3.46Å; W161-L253 HydrophobicContact CD2-CD1 4.17Å; W161-L253 HydrophobicContact CG-CD1 3.51Å; W161-L256 HydrophobicContact CE3-CD1 4.13Å; W161-L256 HydrophobicContact CH2-CB 3.83Å; W161-L256 HydrophobicContact CZ2-CB 4.02Å; W161-L256 HydrophobicContact CZ3-CB 4.14Å; W161-L256 HydrophobicContact CZ3-CD1 4.13Å
162	F	97.8	Very high	97.3	Very high	120 Å²	120	63.6 Å²	63.6	53%	0.526	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178	-174.4	-94.7	0	0	0	111.9	H158 A159 N164 A165 N166	H158-F162 WeakPolarHBondContact O-CB 3.28Å; H158-F162 PolarHBondContact O-N 2.88Å; A159-F162 PolarHBondContact O-N 3.43Å; F162-N164 VanDerWaalsContact C-N 3.29Å; F162-N164 PolarHBondContact O-N 3.21Å; F162-A165 PolarHBondContact O-N 3.45Å; F162-N166 WeakPolarHBondContact CE1-ND2 3.4Å; F162-N166 VanDerWaalsContact CE2-ND2 3.34Å; F162-N166 WeakPolarHBondContact CE2-ND2 3.45Å; F162-N166 VanDerWaalsContact CZ-ND2 3.32Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.49Å; F162-N166 PolarHBondContact O-N 2.88Å; F162-N166 VanDerWaalsContact O-N 3.1Å; F162-N166 PolarHBondContact O-ND2 2.72Å
163	A	98.1	Very high	97.3	Very high	21 Å²	21	64.7 Å²	64.7	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-37.5	175.3	0	0	0	0	0	111.5	A159 L160 Y167 F168	A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 2.96Å; L160-A163 PolarHBondContact O-N 2.86Å; A163-Y167 WeakPolarHBondContact O-CA 3.46Å; A163-Y167 WeakPolarHBondContact O-CB 3.24Å; A163-Y167 PolarHBondContact O-N 2.6Å; A163-F168 HydrophobicContact CB-CD2 3.91Å; A163-F168 HydrophobicContact CB-CE2 3.6Å; A163-F168 PolarHBondContact O-N 3.45Å; A163-F168 VanDerWaalsContact O-N 3.08Å
164	N	97.6	Very high	97.4	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	32%	0.316	C	S	.	.	I	π-helix	trans	-63.3	-45.3	172.6	174.1	76	0	0	0	112.2	L160 W161 F162 N166 H169 W170 F171	L160-N164 VanDerWaalsContact O-CB 3.26Å; L160-N164 WeakPolarHBondContact O-CB 3.39Å; L160-N164 PolarHBondContact O-N 3.46Å; W161-N164 WeakPolarHBondContact O-CB 3.46Å; W161-N164 PolarHBondContact O-N 3.29Å; F162-N164 VanDerWaalsContact C-N 3.29Å; F162-N164 PolarHBondContact O-N 3.21Å; N164-N166 VanDerWaalsContact C-N 3.32Å; N164-N166 PolarHBondContact O-N 3.42Å; N164-H169 WeakPolarHBondContact O-CA 3.29Å; N164-H169 PolarHBondContact O-N 3.07Å; N164-W170 WeakPolarHBondContact OD1-CA 3.3Å; N164-W170 WeakPolarHBondContact OD1-CB 3.5Å; N164-W170 PolarHBondContact OD1-N 2.91Å; N164-F171 HydrophobicContact CB-CE1 4.11Å; N164-F171 HydrophobicContact CB-CZ 4.01Å; N164-F171 WeakPolarHBondContact ND2-CD2 3.19Å; N164-F171 VanDerWaalsContact ND2-CE2 3.29Å; N164-F171 WeakPolarHBondContact ND2-CE2 3.37Å; N164-F171 WeakPolarHBondContact ND2-CZ 3.41Å; N164-F171 PolarHBondContact ND2-O 2.74Å; N164-F171 PolarHBondContact OD1-N 3.02Å
165	A	95.9	Very high	97.4	Very high	23 Å²	23	64.6 Å²	64.6	19%	0.19	32%	0.317	C	S	.	.	I	π-helix	trans	-63.5	-35.1	-178.7	0	0	0	0	0	113.2	W161 F162 H169 P173	W161-A165 HydrophobicContact CZ3-CB 4.49Å; W161-A165 WeakPolarHBondContact O-CB 2.88Å; W161-A165 PolarHBondContact O-N 2.93Å; F162-A165 PolarHBondContact O-N 3.45Å; A165-H169 PolarHBondContact O-CE1 2.98Å; A165-H169 VanDerWaalsContact O-CE1 3.3Å; A165-P173 HydrophobicContact CB-CB 4.37Å; A165-P173 HydrophobicContact CB-CG 3.75Å
166	N	96.3	Very high	97.4	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	31%	0.305	S	S	.	.	I	π-helix	trans	-104.1	-22.5	-172.7	-66.2	-84.4	0	0	0	115.1	F162 N164	F162-N166 WeakPolarHBondContact CE1-ND2 3.4Å; F162-N166 VanDerWaalsContact CE2-ND2 3.34Å; F162-N166 WeakPolarHBondContact CE2-ND2 3.45Å; F162-N166 VanDerWaalsContact CZ-ND2 3.32Å; F162-N166 WeakPolarHBondContact CZ-ND2 3.49Å; F162-N166 PolarHBondContact O-N 2.88Å; F162-N166 VanDerWaalsContact O-N 3.1Å; F162-N166 PolarHBondContact O-ND2 2.72Å; N164-N166 VanDerWaalsContact C-N 3.32Å; N164-N166 PolarHBondContact O-N 3.42Å
167	Y	96.4	Very high	97.4	Very high	174 Å²	174	60.7 Å²	60.7	68%	0.682	30%	0.296	S	S	*	.	I	π-helix	trans	-131.4	-53.5	-171.4	-57.8	-81.6	0	0	0	113.6	A163 H169	A163-Y167 WeakPolarHBondContact O-CA 3.46Å; A163-Y167 WeakPolarHBondContact O-CB 3.24Å; A163-Y167 PolarHBondContact O-N 2.6Å; Y167-H169 PolarHBondContact O-CD2 3.35Å; Y167-H169 VanDerWaalsContact O-CD2 3.3Å
168	F	97.3	Very high	97.4	Very high	98 Å²	98	63.9 Å²	63.9	43%	0.43	31%	0.313	S	S	.	.	I	π-helix	trans	-81.3	-34.1	-169.6	-59.6	-61.3	0	0	0	114.1	A163 W170	A163-F168 HydrophobicContact CB-CD2 3.91Å; A163-F168 HydrophobicContact CB-CE2 3.6Å; A163-F168 PolarHBondContact O-N 3.45Å; A163-F168 VanDerWaalsContact O-N 3.08Å; F168-W170 HydrophobicContact CB-CD2 3.76Å; F168-W170 HydrophobicContact CB-CE3 4.36Å; F168-W170 HydrophobicContact CB-CG 3.95Å; F168-W170 HydrophobicContact CB-CZ2 4.1Å; F168-W170 HydrophobicContact CD1-CH2 4.33Å; F168-W170 AromaticContact CD1-CZ2 3.74Å; F168-W170 HydrophobicContact CD1-CZ2 3.74Å; F168-W170 HydrophobicContact CD2-CH2 4.22Å; F168-W170 HydrophobicContact CD2-CZ2 4.34Å; F168-W170 HydrophobicContact CD2-CZ3 4.39Å; F168-W170 HydrophobicContact CE1-CZ2 4.21Å; F168-W170 HydrophobicContact CE2-CH2 4.44Å; F168-W170 HydrophobicContact CG-CD2 4.3Å; F168-W170 AromaticContact CG-CE2 3.88Å; F168-W170 HydrophobicContact CG-CH2 4.17Å; F168-W170 AromaticContact CG-CZ2 3.82Å; F168-W170 HydrophobicContact CG-CZ2 3.82Å; F168-W170 PolarHBondContact O-N 3.46Å; F168-W170 VanDerWaalsContact O-N 3.12Å
169	H	96.1	Very high	97.4	Very high	132 Å²	132	64.4 Å²	64.4	61%	0.611	32%	0.316	S	S	*	.			trans	50.5	34	-178.5	-51.8	-66.5	0	0	0	114.2	N164 A165 Y167 F171	N164-H169 WeakPolarHBondContact O-CA 3.29Å; N164-H169 PolarHBondContact O-N 3.07Å; A165-H169 PolarHBondContact O-CE1 2.98Å; A165-H169 VanDerWaalsContact O-CE1 3.3Å; Y167-H169 PolarHBondContact O-CD2 3.35Å; Y167-H169 VanDerWaalsContact O-CD2 3.3Å; H169-F171 VanDerWaalsContact C-N 3.31Å; H169-F171 PolarHBondContact O-N 3.12Å
170	W	96.1	Very high	97.4	Very high	183 Å²	183	62.3 Å²	62.3	69%	0.693	30%	0.297	S	S	*	.	S	Bend	trans	-69.6	-28.7	178.6	-62.3	-24.4	0	0	0	112.7	N164 F168	N164-W170 WeakPolarHBondContact OD1-CA 3.3Å; N164-W170 WeakPolarHBondContact OD1-CB 3.5Å; N164-W170 PolarHBondContact OD1-N 2.91Å; F168-W170 HydrophobicContact CB-CD2 3.76Å; F168-W170 HydrophobicContact CB-CE3 4.36Å; F168-W170 HydrophobicContact CB-CG 3.95Å; F168-W170 HydrophobicContact CB-CZ2 4.1Å; F168-W170 HydrophobicContact CD1-CH2 4.33Å; F168-W170 AromaticContact CD1-CZ2 3.74Å; F168-W170 HydrophobicContact CD1-CZ2 3.74Å; F168-W170 HydrophobicContact CD2-CH2 4.22Å; F168-W170 HydrophobicContact CD2-CZ2 4.34Å; F168-W170 HydrophobicContact CD2-CZ3 4.39Å; F168-W170 HydrophobicContact CE1-CZ2 4.21Å; F168-W170 HydrophobicContact CE2-CH2 4.44Å; F168-W170 HydrophobicContact CG-CD2 4.3Å; F168-W170 AromaticContact CG-CE2 3.88Å; F168-W170 HydrophobicContact CG-CH2 4.17Å; F168-W170 AromaticContact CG-CZ2 3.82Å; F168-W170 HydrophobicContact CG-CZ2 3.82Å; F168-W170 PolarHBondContact O-N 3.46Å; F168-W170 VanDerWaalsContact O-N 3.12Å
171	F	96.1	Very high	97.3	Very high	82 Å²	82	59.1 Å²	59.1	36%	0.36	28%	0.28	S	S	.	.	S	Bend	trans	-151.1	159.4	175.5	57.6	-93.3	0	0	0	111.3	N164 H169 I175	N164-F171 HydrophobicContact CB-CE1 4.11Å; N164-F171 HydrophobicContact CB-CZ 4.01Å; N164-F171 WeakPolarHBondContact ND2-CD2 3.19Å; N164-F171 VanDerWaalsContact ND2-CE2 3.29Å; N164-F171 WeakPolarHBondContact ND2-CE2 3.37Å; N164-F171 WeakPolarHBondContact ND2-CZ 3.41Å; N164-F171 PolarHBondContact ND2-O 2.74Å; N164-F171 PolarHBondContact OD1-N 3.02Å; H169-F171 VanDerWaalsContact C-N 3.31Å; H169-F171 PolarHBondContact O-N 3.12Å; F171-I175 HydrophobicContact CB-CD1 4.07Å; F171-I175 HydrophobicContact CD2-CD1 4.5Å; F171-I175 HydrophobicContact CD2-CG2 3.87Å; F171-I175 HydrophobicContact CE2-CG2 4.31Å
172	S	97.6	Very high	97.3	Very high	50 Å²	50	58.4 Å²	58.4	35%	0.35	28%	0.279	S	S	.	.			trans	-65.7	135.7	178.7	-173.4	0	0	0	0	111.8	T174 I175	S172-T174 PolarHBondContact O-N 2.59Å; S172-T174 VanDerWaalsContact O-N 3.11Å; S172-T174 PolarHBondContact OG-N 2.93Å; S172-T174 PolarHBondContact OG-OG1 3.3Å; S172-I175 WeakPolarHBondContact O-CB 3.34Å; S172-I175 VanDerWaalsContact O-CG2 3.27Å; S172-I175 WeakPolarHBondContact O-CG2 3.24Å; S172-I175 PolarHBondContact O-N 2.55Å
173	P	97.8	Very high	97.4	Very high	36 Å²	36	53.2 Å²	53.2	23%	0.234	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.3	169.3	-25.7	36.3	0	0	0	113.7	W161 A165 S257 A260	W161-P173 HydrophobicContact CH2-CB 4.24Å; W161-P173 HydrophobicContact CZ2-CB 3.67Å; A165-P173 HydrophobicContact CB-CB 4.37Å; A165-P173 HydrophobicContact CB-CG 3.75Å; P173-S257 WeakPolarHBondContact O-CA 3.5Å; P173-S257 WeakPolarHBondContact O-CB 3.47Å; P173-S257 PolarHBondContact O-OG 3.41Å; P173-A260 HydrophobicContact CB-CB 3.81Å
174	T	98.3	Very high	97.3	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.025	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-0	178.8	60.8	0	0	0	0	114.3	S172 I176 F177 D178 S257 A260 K261 E264	S172-T174 PolarHBondContact O-N 2.59Å; S172-T174 VanDerWaalsContact O-N 3.11Å; S172-T174 PolarHBondContact OG-N 2.93Å; S172-T174 PolarHBondContact OG-OG1 3.3Å; T174-I176 PolarHBondContact O-N 3.47Å; T174-F177 PolarHBondContact O-N 3.41Å; T174-D178 WeakPolarHBondContact CB-OD2 3.1Å; T174-D178 PolarHBondContact O-N 3.42Å; T174-D178 PolarHBondContact OG1-OD2 3Å; T174-S257 VanDerWaalsContact C-OG 3.24Å; T174-S257 VanDerWaalsContact CA-OG 3.32Å; T174-S257 WeakPolarHBondContact CA-OG 3.34Å; T174-S257 PolarHBondContact O-OG 2.95Å; T174-A260 HydrophobicContact CG2-CB 4.03Å; T174-K261 HydrophobicContact CG2-CB 4.05Å; T174-K261 HydrophobicContact CG2-CD 3.9Å; T174-E264 HydrophobicContact CG2-CB 4.43Å; T174-E264 VanDerWaalsContact CG2-OE2 3.24Å; T174-E264 WeakPolarHBondContact CG2-OE2 3.36Å; T174-E264 PolarHBondContact OG1-OE2 3.44Å
175	I	98.1	Very high	97.3	Very high	38 Å²	38	55 Å²	55	20%	0.195	26%	0.259	C	S	.	.	H	α-helix	trans	-51.8	-32.9	-170.4	-170.6	166.9	0	0	0	114.2	I102 F171 S172 N179	I102-I175 HydrophobicContact CD1-CD1 3.73Å; I102-I175 HydrophobicContact CD1-CG1 3.74Å; I102-I175 HydrophobicContact CG1-CD1 3.96Å; I102-I175 HydrophobicContact CG1-CG1 4.44Å; F171-I175 HydrophobicContact CB-CD1 4.07Å; F171-I175 HydrophobicContact CD2-CD1 4.5Å; F171-I175 HydrophobicContact CD2-CG2 3.87Å; F171-I175 HydrophobicContact CE2-CG2 4.31Å; S172-I175 WeakPolarHBondContact O-CB 3.34Å; S172-I175 VanDerWaalsContact O-CG2 3.27Å; S172-I175 WeakPolarHBondContact O-CG2 3.24Å; S172-I175 PolarHBondContact O-N 2.55Å; I175-N179 PolarHBondContact O-N 3.25Å; I175-N179 PolarHBondContact O-ND2 2.86Å
176	I	98.3	Very high	97.4	Very high	21 Å²	21	54.3 Å²	54.3	11%	0.108	25%	0.252	C	S	.	.	H	α-helix	trans	-73	-47.9	179.5	-57.8	177.1	0	0	0	110.2	T174 N179 W180 L183 L253 I254 S257	T174-I176 PolarHBondContact O-N 3.47Å; I176-N179 CarbonylContact O-C 3.36Å; I176-N179 PolarHBondContact O-N 3.18Å; I176-W180 HydrophobicContact CG2-CE3 3.98Å; I176-W180 HydrophobicContact CG2-CZ3 4.06Å; I176-W180 WeakPolarHBondContact O-CA 3.47Å; I176-W180 PolarHBondContact O-N 2.93Å; I176-L183 HydrophobicContact CG2-CD1 4.22Å; I176-L253 HydrophobicContact CD1-CB 4.28Å; I176-L253 HydrophobicContact CD1-CD2 3.87Å; I176-L253 HydrophobicContact CD1-CG 3.68Å; I176-I254 HydrophobicContact CG2-CG1 3.9Å; I176-S257 WeakPolarHBondContact CB-OG 3.29Å; I176-S257 PolarHBondContact N-OG 3.28Å
177	F	98.3	Very high	97.5	Very high	26 Å²	26	50.7 Å²	50.7	11%	0.114	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-46.1	175.4	-178.3	-86.2	0	0	0	111.1	T174 N179 W180 S257 Y258 K261 L326 V329 Y330	T174-F177 PolarHBondContact O-N 3.41Å; F177-N179 PolarHBondContact O-N 3.23Å; F177-N179 VanDerWaalsContact O-N 3.12Å; F177-W180 WeakPolarHBondContact O-CB 3.33Å; F177-W180 PolarHBondContact O-N 2.87Å; F177-S257 PolarHBondContact N-OG 3.07Å; F177-Y258 HydrophobicContact CB-CD1 4.02Å; F177-Y258 HydrophobicContact CB-CE1 4.26Å; F177-Y258 AromaticContact CD2-CD1 3.55Å; F177-Y258 HydrophobicContact CD2-CD1 3.55Å; F177-Y258 AromaticContact CD2-CE1 3.67Å; F177-Y258 HydrophobicContact CD2-CE1 3.67Å; F177-Y258 HydrophobicContact CG-CD1 4.25Å; F177-Y258 HydrophobicContact CG-CE1 4.44Å; F177-K261 HydrophobicContact CB-CB 4.16Å; F177-K261 HydrophobicContact CB-CG 4.32Å; F177-K261 HydrophobicContact CD1-CB 4.14Å; F177-K261 HydrophobicContact CD1-CD 3.53Å; F177-K261 HydrophobicContact CD1-CG 3.38Å; F177-K261 HydrophobicContact CD2-CB 4.47Å; F177-K261 HydrophobicContact CD2-CG 4.32Å; F177-K261 HydrophobicContact CE1-CD 3.99Å; F177-K261 HydrophobicContact CE1-CG 3.66Å; F177-K261 HydrophobicContact CG-CB 3.98Å; F177-K261 HydrophobicContact CG-CD 4.21Å; F177-K261 HydrophobicContact CG-CG 3.74Å; F177-K261 HydrophobicContact CZ-CG 4.24Å; F177-L326 HydrophobicContact CD2-CD1 4.28Å; F177-L326 HydrophobicContact CE2-CD1 3.87Å; F177-V329 HydrophobicContact CD2-CB 4.45Å; F177-V329 HydrophobicContact CD2-CG1 4.19Å; F177-V329 HydrophobicContact CD2-CG2 4.18Å; F177-V329 HydrophobicContact CE1-CG1 4.31Å; F177-V329 HydrophobicContact CE2-CB 3.8Å; F177-V329 HydrophobicContact CE2-CG1 3.5Å; F177-V329 VanDerWaalsContact CE2-CG1 3.5Å; F177-V329 HydrophobicContact CE2-CG2 4.01Å; F177-V329 HydrophobicContact CZ-CB 4.31Å; F177-V329 HydrophobicContact CZ-CG1 3.57Å; F177-Y330 HydrophobicContact CE2-CE2 4.01Å; F177-Y330 AromaticContact CZ-CE2 4Å; F177-Y330 HydrophobicContact CZ-CE2 4Å; F177-Y330 AromaticContact CZ-CZ 3.92Å
178	D	97.9	Very high	97.5	Very high	74 Å²	74	43.4 Å²	43.4	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-23.3	-176.4	-62.3	-28.9	0	0	0	112.9	T174 K261	T174-D178 WeakPolarHBondContact CB-OD2 3.1Å; T174-D178 PolarHBondContact O-N 3.42Å; T174-D178 PolarHBondContact OG1-OD2 3Å; D178-K261 WeakPolarHBondContact OD1-CE 3.34Å; D178-K261 IonicContact OD1-NZ 2.72Å; D178-K261 PolarHBondContact OD1-NZ 3.19Å
179	N	98	Very high	97.5	Very high	27 Å²	27	43.8 Å²	43.8	14%	0.144	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	19	177	-65.8	-93.2	0	0	0	112.5	A99 I102 I175 I176 F177 I181 P182 L183	A99-N179 HydrophobicContact CB-CB 4.47Å; I102-N179 HydrophobicContact CD1-CB 4.42Å; I175-N179 PolarHBondContact O-N 3.25Å; I175-N179 PolarHBondContact O-ND2 2.86Å; I176-N179 CarbonylContact O-C 3.36Å; I176-N179 PolarHBondContact O-N 3.18Å; F177-N179 PolarHBondContact O-N 3.23Å; F177-N179 VanDerWaalsContact O-N 3.12Å; N179-I181 PolarHBondContact O-N 2.99Å; N179-P182 WeakPolarHBondContact O-CD 3.22Å; N179-L183 HydrophobicContact CB-CD1 4.04Å; N179-L183 HydrophobicContact CB-CG 4.07Å; N179-L183 VanDerWaalsContact O-CB 3.3Å; N179-L183 WeakPolarHBondContact O-CB 3.12Å; N179-L183 WeakPolarHBondContact O-CG 3.17Å; N179-L183 PolarHBondContact O-N 3.29Å
180	W	97.7	Very high	97.6	Very high	12 Å²	12	39.4 Å²	39.4	5%	0.045	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-46	-167.8	-174.1	-125.2	0	0	0	113.8	I176 F177 L184 I254 Y258 P318 Y319	I176-W180 HydrophobicContact CG2-CE3 3.98Å; I176-W180 HydrophobicContact CG2-CZ3 4.06Å; I176-W180 WeakPolarHBondContact O-CA 3.47Å; I176-W180 PolarHBondContact O-N 2.93Å; F177-W180 WeakPolarHBondContact O-CB 3.33Å; F177-W180 PolarHBondContact O-N 2.87Å; W180-L184 PolarHBondContact O-N 3.25Å; W180-I254 HydrophobicContact CH2-CD1 4.02Å; W180-I254 HydrophobicContact CH2-CG1 4.38Å; W180-I254 HydrophobicContact CH2-CG2 3.83Å; W180-I254 HydrophobicContact CZ3-CD1 3.98Å; W180-I254 HydrophobicContact CZ3-CG1 3.97Å; W180-I254 HydrophobicContact CZ3-CG2 3.81Å; W180-Y258 HydrophobicContact CD2-CE1 4.47Å; W180-Y258 VanDerWaalsContact CH2-OH 3.3Å; W180-Y258 WeakPolarHBondContact CH2-OH 3.34Å; W180-Y258 WeakPolarHBondContact CZ2-OH 3.21Å; W180-Y258 PolarHBondContact NE1-OH 3.37Å; W180-P318 WeakPolarHBondContact CH2-O 3.3Å; W180-Y319 HydrophobicContact CD2-CD1 4.31Å; W180-Y319 AromaticContact CD2-CE1 3.74Å; W180-Y319 HydrophobicContact CD2-CE1 3.74Å; W180-Y319 AromaticContact CE2-CD1 3.43Å; W180-Y319 VanDerWaalsContact CE2-CD1 3.43Å; W180-Y319 AromaticContact CE2-CE1 3.33Å; W180-Y319 HydrophobicContact CE3-CE1 4.07Å; W180-Y319 HydrophobicContact CG-CE1 4.45Å; W180-Y319 AromaticContact CH2-CD1 3.7Å; W180-Y319 HydrophobicContact CH2-CD1 3.7Å; W180-Y319 HydrophobicContact CH2-CD2 4.23Å; W180-Y319 AromaticContact CH2-CE1 3.67Å; W180-Y319 HydrophobicContact CH2-CE1 3.67Å; W180-Y319 HydrophobicContact CH2-CE2 4.2Å; W180-Y319 AromaticContact CH2-CG 3.96Å; W180-Y319 HydrophobicContact CH2-CG 3.96Å; W180-Y319 AromaticContact CH2-CZ 3.9Å; W180-Y319 AromaticContact CZ2-CD1 3.08Å; W180-Y319 HydrophobicContact CZ2-CD1 3.08Å; W180-Y319 HydrophobicContact CZ2-CD2 4.37Å; W180-Y319 AromaticContact CZ2-CE1 3.32Å; W180-Y319 HydrophobicContact CZ2-CE1 3.32Å; W180-Y319 AromaticContact CZ2-CG 3.67Å; W180-Y319 HydrophobicContact CZ2-CG 3.67Å; W180-Y319 HydrophobicContact CZ3-CD1 4.5Å; W180-Y319 HydrophobicContact CZ3-CE1 4.02Å; W180-Y319 AromaticContact NE1-CD1 3.86Å; W180-Y319 AromaticContact NE1-CE1 3.87Å; W180-Y319 PolarHBondContact O-OH 3.28Å
181	I	96.9	Very high	97.7	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-74.7	-46.2	-179.8	-60.7	156.7	0	0	0	111.6	V61 M62 D65 P93 N179 L183 L184	V61-I181 HydrophobicContact CG1-CD1 4.39Å; V61-I181 HydrophobicContact CG1-CG1 3.6Å; M62-I181 HydrophobicContact CE-CB 4.45Å; M62-I181 HydrophobicContact CE-CD1 3.58Å; M62-I181 HydrophobicContact CE-CG1 3.68Å; M62-I181 HydrophobicContact CE-CG2 3.9Å; D65-I181 HydrophobicContact CB-CD1 3.81Å; D65-I181 WeakPolarHBondContact OD2-CD1 3.26Å; P93-I181 HydrophobicContact CB-CB 4.12Å; P93-I181 HydrophobicContact CB-CG2 4Å; P93-I181 HydrophobicContact CG-CB 4.15Å; P93-I181 HydrophobicContact CG-CD1 3.87Å; P93-I181 HydrophobicContact CG-CG2 4.21Å; P93-I181 WeakPolarHBondContact O-CG2 3.38Å; N179-I181 PolarHBondContact O-N 2.99Å; I181-L183 PolarHBondContact O-N 2.92Å; I181-L184 WeakPolarHBondContact O-CB 3.42Å; I181-L184 PolarHBondContact O-N 2.92Å
182	P	97.7	Very high	97.8	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.078	16%	0.157	C	C	.	.	H	α-helix	trans	-54.8	-37.4	170.8	-32.4	39.5	0	0	0	114.3	P93 T96 A99 N179 L184 W185	P93-P182 HydrophobicContact CB-CG 4.18Å; T96-P182 HydrophobicContact CG2-CB 4.17Å; T96-P182 HydrophobicContact CG2-CG 4.03Å; A99-P182 HydrophobicContact CB-CB 3.39Å; N179-P182 WeakPolarHBondContact O-CD 3.22Å; P182-L184 VanDerWaalsContact C-N 3.27Å; P182-L184 PolarHBondContact O-N 2.96Å; P182-W185 PolarHBondContact O-N 3.06Å
183	L	98.2	Very high	97.8	Very high	11 Å²	11	30.8 Å²	30.8	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-27.2	175.7	-73.2	170.4	0	0	0	112.5	A99 I102 Y103 I176 N179 I181 W185 C186 T187 Y319	A99-L183 HydrophobicContact CB-CD2 4.17Å; A99-L183 HydrophobicContact CB-CG 4.31Å; I102-L183 HydrophobicContact CG2-CD2 4.36Å; Y103-L183 HydrophobicContact CD2-CD2 4.27Å; Y103-L183 HydrophobicContact CG-CD2 4.42Å; I176-L183 HydrophobicContact CG2-CD1 4.22Å; N179-L183 HydrophobicContact CB-CD1 4.04Å; N179-L183 HydrophobicContact CB-CG 4.07Å; N179-L183 VanDerWaalsContact O-CB 3.3Å; N179-L183 WeakPolarHBondContact O-CB 3.12Å; N179-L183 WeakPolarHBondContact O-CG 3.17Å; N179-L183 PolarHBondContact O-N 3.29Å; I181-L183 PolarHBondContact O-N 2.92Å; L183-W185 VanDerWaalsContact C-N 3.26Å; L183-W185 PolarHBondContact O-N 3.33Å; L183-C186 WeakPolarHBondContact O-CB 3.36Å; L183-C186 PolarHBondContact O-N 3.27Å; L183-C186 VanDerWaalsContact O-N 3.15Å; L183-T187 WeakPolarHBondContact O-CG2 3.49Å; L183-T187 PolarHBondContact O-N 3.44Å; L183-T187 PolarHBondContact O-OG1 3.5Å; L183-Y319 PolarHBondContact O-OH 3.08Å
184	L	97.8	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-36.8	177.1	178.1	62.7	0	0	0	110.9	V57 F58 V61 W180 I181 P182 T187 N188 V315 Y319	V57-L184 HydrophobicContact CG1-CD1 3.66Å; F58-L184 HydrophobicContact CD2-CD2 4.16Å; V61-L184 HydrophobicContact CG2-CD2 4.36Å; W180-L184 PolarHBondContact O-N 3.25Å; I181-L184 WeakPolarHBondContact O-CB 3.42Å; I181-L184 PolarHBondContact O-N 2.92Å; P182-L184 VanDerWaalsContact C-N 3.27Å; P182-L184 PolarHBondContact O-N 2.96Å; L184-T187 PolarHBondContact O-OG1 2.88Å; L184-N188 WeakPolarHBondContact CD1-ND2 3.37Å; L184-N188 WeakPolarHBondContact O-CB 3.28Å; L184-N188 PolarHBondContact O-N 2.83Å; L184-N188 PolarHBondContact O-ND2 2.89Å; L184-V315 HydrophobicContact CD1-CG1 3.94Å; L184-Y319 WeakPolarHBondContact CA-OH 3.47Å; L184-Y319 HydrophobicContact CB-CE1 3.69Å; L184-Y319 HydrophobicContact CD1-CD1 3.8Å; L184-Y319 HydrophobicContact CD1-CD2 4.06Å; L184-Y319 HydrophobicContact CD1-CE1 3.69Å; L184-Y319 HydrophobicContact CD1-CE2 3.96Å; L184-Y319 HydrophobicContact CD1-CG 4.01Å; L184-Y319 HydrophobicContact CG-CE1 4.18Å; L184-Y319 PolarHBondContact N-OH 2.88Å
185	W	97	Very high	97.7	Very high	58 Å²	58	29.3 Å²	29.3	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-43.9	174.1	-58.8	117.8	0	0	0	111.2	F58 W89 P93 F95 P182 L183 T187 N188 I189	F58-W185 HydrophobicContact CD2-CH2 4.08Å; F58-W185 HydrophobicContact CD2-CZ2 4.32Å; F58-W185 AromaticContact CE2-CH2 3.89Å; F58-W185 HydrophobicContact CE2-CH2 3.89Å; F58-W185 AromaticContact CE2-CZ2 3.83Å; F58-W185 HydrophobicContact CE2-CZ2 3.83Å; W89-W185 AromaticContact CH2-CH2 3.27Å; W89-W185 HydrophobicContact CH2-CH2 3.27Å; W89-W185 HydrophobicContact CH2-CZ2 4.14Å; W89-W185 AromaticContact CH2-CZ3 3.93Å; W89-W185 HydrophobicContact CH2-CZ3 3.93Å; W89-W185 AromaticContact CZ2-CH2 3.96Å; W89-W185 HydrophobicContact CZ2-CH2 3.96Å; W89-W185 HydrophobicContact CZ2-CZ2 4.47Å; W89-W185 AromaticContact CZ3-CH2 3.67Å; W89-W185 HydrophobicContact CZ3-CH2 3.67Å; W89-W185 HydrophobicContact CZ3-CZ2 4.49Å; P93-W185 PolarHBondContact O-NE1 3.39Å; F95-W185 HydrophobicContact CB-CB 4.44Å; F95-W185 HydrophobicContact CB-CG 4.5Å; F95-W185 HydrophobicContact CD2-CB 4.17Å; P182-W185 PolarHBondContact O-N 3.06Å; L183-W185 VanDerWaalsContact C-N 3.26Å; L183-W185 PolarHBondContact O-N 3.33Å; W185-T187 PolarHBondContact O-N 2.87Å; W185-N188 PolarHBondContact O-N 3.31Å; W185-I189 WeakPolarHBondContact O-CD1 3.41Å; W185-I189 VanDerWaalsContact O-CG1 3.25Å; W185-I189 WeakPolarHBondContact O-CG1 3.31Å; W185-I189 PolarHBondContact O-N 2.7Å
186	C	98	Very high	97.7	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-43.2	178.7	-60.6	0	0	0	0	112.4	Y103 L183 I189 L190	Y103-C186 HydrophobicContact CD1-CB 3.59Å; Y103-C186 HydrophobicContact CE1-CB 4.25Å; Y103-C186 HydrophobicContact CG-CB 3.83Å; L183-C186 WeakPolarHBondContact O-CB 3.36Å; L183-C186 PolarHBondContact O-N 3.27Å; L183-C186 VanDerWaalsContact O-N 3.15Å; C186-I189 PolarHBondContact O-N 3.18Å; C186-L190 PolarHBondContact O-N 3.12Å
187	T	97.4	Very high	97.7	Very high	5 Å²	5	33 Å²	33	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-37.5	179.5	59.5	0	0	0	0	111.4	Y103 L183 L184 W185 L190 G191 C314 V315 Y319	Y103-T187 HydrophobicContact CD2-CG2 4.24Å; Y103-T187 HydrophobicContact CE1-CG2 4.24Å; Y103-T187 HydrophobicContact CE2-CG2 3.48Å; Y103-T187 VanDerWaalsContact CE2-CG2 3.48Å; Y103-T187 VanDerWaalsContact CZ-CG2 3.47Å; Y103-T187 WeakPolarHBondContact OH-CG2 3.27Å; L183-T187 WeakPolarHBondContact O-CG2 3.49Å; L183-T187 PolarHBondContact O-N 3.44Å; L183-T187 PolarHBondContact O-OG1 3.5Å; L184-T187 PolarHBondContact O-OG1 2.88Å; W185-T187 PolarHBondContact O-N 2.87Å; T187-L190 PolarHBondContact O-N 3.43Å; T187-G191 PolarHBondContact O-N 3.44Å; T187-C314 WeakPolarHBondContact CB-O 3.41Å; T187-V315 VanDerWaalsContact C-CG2 3.5Å; T187-V315 WeakPolarHBondContact O-CG2 2.96Å; T187-Y319 HydrophobicContact CG2-CE2 4.02Å; T187-Y319 WeakPolarHBondContact OG1-CE2 3.41Å
188	N	97.6	Very high	97.7	Very high	21 Å²	21	32 Å²	32	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-61.7	-49.2	171.8	-88.4	-79.5	0	0	0	111.6	L184 W185 L190 G191 Y192 W311	L184-N188 WeakPolarHBondContact CD1-ND2 3.37Å; L184-N188 WeakPolarHBondContact O-CB 3.28Å; L184-N188 PolarHBondContact O-N 2.83Å; L184-N188 PolarHBondContact O-ND2 2.89Å; W185-N188 PolarHBondContact O-N 3.31Å; N188-L190 VanDerWaalsContact C-N 3.3Å; N188-L190 PolarHBondContact O-N 3.5Å; N188-G191 PolarHBondContact O-N 2.76Å; N188-Y192 VanDerWaalsContact O-CD2 3.23Å; N188-Y192 WeakPolarHBondContact O-CD2 3.19Å; N188-Y192 PolarHBondContact O-N 2.98Å; N188-W311 PolarHBondContact OD1-NE1 3.47Å
189	I	97.6	Very high	97.7	Very high	107 Å²	107	30 Å²	30	55%	0.549	16%	0.155	S	C	.	.	H	α-helix	trans	-55.8	-47.5	177.8	-70.1	163.8	0	0	0	110.2	F95 W185 C186 A193	F95-I189 HydrophobicContact CD2-CD1 4.43Å; F95-I189 HydrophobicContact CE2-CD1 4.32Å; W185-I189 WeakPolarHBondContact O-CD1 3.41Å; W185-I189 VanDerWaalsContact O-CG1 3.25Å; W185-I189 WeakPolarHBondContact O-CG1 3.31Å; W185-I189 PolarHBondContact O-N 2.7Å; C186-I189 PolarHBondContact O-N 3.18Å; I189-A193 WeakPolarHBondContact O-CB 3.44Å; I189-A193 PolarHBondContact O-N 3.09Å
190	L	97.6	Very high	97.6	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-45.1	178.3	-177.9	60.8	0	0	0	112.3	Y103 V107 C186 T187 N188 Y192 A193 V194 F242	Y103-L190 HydrophobicContact CE1-CB 3.91Å; Y103-L190 HydrophobicContact CE1-CD2 3.65Å; Y103-L190 HydrophobicContact CE1-CG 4.44Å; Y103-L190 WeakPolarHBondContact OH-CD2 3.35Å; V107-L190 HydrophobicContact CG1-CD2 4.3Å; V107-L190 HydrophobicContact CG2-CD2 3.84Å; C186-L190 PolarHBondContact O-N 3.12Å; T187-L190 PolarHBondContact O-N 3.43Å; N188-L190 VanDerWaalsContact C-N 3.3Å; N188-L190 PolarHBondContact O-N 3.5Å; L190-Y192 VanDerWaalsContact C-N 3.35Å; L190-Y192 PolarHBondContact O-N 3.32Å; L190-A193 PolarHBondContact O-N 3.32Å; L190-V194 WeakPolarHBondContact O-CB 3.28Å; L190-V194 WeakPolarHBondContact O-CG1 3.4Å; L190-V194 PolarHBondContact O-N 3.29Å; L190-F242 HydrophobicContact CD1-CE1 4.41Å; L190-F242 HydrophobicContact CD2-CE1 3.99Å; L190-F242 HydrophobicContact CG-CE1 4.1Å
191	G	97.4	Very high	97.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.6	-43.6	178.9	0	0	0	0	0	112.5	T187 N188 V194 S195	T187-G191 PolarHBondContact O-N 3.44Å; N188-G191 PolarHBondContact O-N 2.76Å; G191-V194 WeakPolarHBondContact O-CG1 3.37Å; G191-S195 VanDerWaalsContact O-CB 3.31Å; G191-S195 WeakPolarHBondContact O-CB 3.5Å; G191-S195 PolarHBondContact O-N 3.42Å; G191-S195 PolarHBondContact O-OG 3.5Å
192	Y	97.9	Very high	97.6	Very high	81 Å²	81	31.1 Å²	31.1	32%	0.318	16%	0.164	S	C	.	.	H	α-helix	trans	-71.4	-39.6	174	-79.6	-74.2	0	0	0	112.5	P54 N188 L190 S195 T196 W307 W311	P54-Y192 VanDerWaalsContact CG-OH 3.31Å; P54-Y192 WeakPolarHBondContact CG-OH 3.3Å; N188-Y192 VanDerWaalsContact O-CD2 3.23Å; N188-Y192 WeakPolarHBondContact O-CD2 3.19Å; N188-Y192 PolarHBondContact O-N 2.98Å; L190-Y192 VanDerWaalsContact C-N 3.35Å; L190-Y192 PolarHBondContact O-N 3.32Å; Y192-S195 PolarHBondContact O-N 2.92Å; Y192-T196 VanDerWaalsContact O-CB 3.25Å; Y192-T196 WeakPolarHBondContact O-CB 3.33Å; Y192-T196 PolarHBondContact O-N 2.8Å; Y192-T196 PolarHBondContact O-OG1 2.84Å; Y192-W307 AromaticContact CD1-CD1 3.81Å; Y192-W307 AromaticContact CD1-NE1 3.58Å; Y192-W307 AromaticContact CE1-CD1 3.71Å; Y192-W307 AromaticContact CE1-NE1 3.1Å; Y192-W307 AromaticContact CZ-NE1 3.48Å; Y192-W311 AromaticContact CE2-CD1 3.94Å; Y192-W311 AromaticContact CE2-NE1 3.99Å
193	A	97.9	Very high	97.5	Very high	53 Å²	53	36.1 Å²	36.1	44%	0.438	18%	0.183	S	C	.	.	H	α-helix	trans	-63	-47.4	179.4	0	0	0	0	0	111.6	I189 L190 S195 T196 F197	I189-A193 WeakPolarHBondContact O-CB 3.44Å; I189-A193 PolarHBondContact O-N 3.09Å; L190-A193 PolarHBondContact O-N 3.32Å; A193-S195 PolarHBondContact O-N 2.85Å; A193-T196 PolarHBondContact O-N 2.87Å; A193-F197 VanDerWaalsContact O-CB 3.26Å; A193-F197 WeakPolarHBondContact O-CB 3.2Å; A193-F197 PolarHBondContact O-N 3.38Å
194	V	97.4	Very high	97.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-40.2	-180	72.8	0	0	0	0	111.7	L190 G191 F197 A198 F238 F242 F305	L190-V194 WeakPolarHBondContact O-CB 3.28Å; L190-V194 WeakPolarHBondContact O-CG1 3.4Å; L190-V194 PolarHBondContact O-N 3.29Å; G191-V194 WeakPolarHBondContact O-CG1 3.37Å; V194-F197 PolarHBondContact O-N 2.89Å; V194-A198 WeakPolarHBondContact O-CB 3.3Å; V194-A198 PolarHBondContact O-N 2.96Å; V194-F238 HydrophobicContact CG2-CD1 3.44Å; V194-F238 VanDerWaalsContact CG2-CD1 3.44Å; V194-F238 HydrophobicContact CG2-CE1 3.52Å; V194-F242 HydrophobicContact CB-CE1 4.29Å; V194-F242 HydrophobicContact CB-CE2 4.17Å; V194-F242 HydrophobicContact CB-CZ 3.82Å; V194-F242 HydrophobicContact CG1-CE1 4.25Å; V194-F242 HydrophobicContact CG1-CZ 4.23Å; V194-F242 HydrophobicContact CG2-CD2 3.91Å; V194-F242 HydrophobicContact CG2-CE1 4.17Å; V194-F242 HydrophobicContact CG2-CE2 3.21Å; V194-F242 HydrophobicContact CG2-CZ 3.36Å; V194-F305 HydrophobicContact CG2-CE1 4Å; V194-F305 HydrophobicContact CG2-CZ 4.17Å
195	S	97.6	Very high	97.3	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-41.7	179.5	-55.7	0	0	0	0	111.3	G191 Y192 A193 A198 F199 W307	G191-S195 VanDerWaalsContact O-CB 3.31Å; G191-S195 WeakPolarHBondContact O-CB 3.5Å; G191-S195 PolarHBondContact O-N 3.42Å; G191-S195 PolarHBondContact O-OG 3.5Å; Y192-S195 PolarHBondContact O-N 2.92Å; A193-S195 PolarHBondContact O-N 2.85Å; S195-A198 PolarHBondContact O-N 2.77Å; S195-F199 WeakPolarHBondContact O-CB 3.43Å; S195-F199 PolarHBondContact O-N 2.7Å; S195-W307 WeakPolarHBondContact OG-CA 3.38Å
196	T	98.1	Very high	97.3	Very high	62 Å²	62	46 Å²	46	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-67.7	-41.1	175.3	-53.3	0	0	0	0	111.4	Y192 A193 F199 V200 Y222	Y192-T196 VanDerWaalsContact O-CB 3.25Å; Y192-T196 WeakPolarHBondContact O-CB 3.33Å; Y192-T196 PolarHBondContact O-N 2.8Å; Y192-T196 PolarHBondContact O-OG1 2.84Å; A193-T196 PolarHBondContact O-N 2.87Å; T196-F199 PolarHBondContact O-N 2.92Å; T196-V200 HydrophobicContact CG2-CG2 4.46Å; T196-V200 WeakPolarHBondContact O-CB 3.27Å; T196-V200 WeakPolarHBondContact O-CG2 3.39Å; T196-V200 PolarHBondContact O-N 3.23Å; T196-Y222 PolarHBondContact OG1-OH 2.8Å
197	F	98.1	Very high	97.1	Very high	76 Å²	76	47.9 Å²	47.9	33%	0.333	25%	0.248	S	C	.	.	H	α-helix	trans	-59	-49.5	173.4	174.9	-94.5	0	0	0	111.3	A193 V194 F199 V200 K201 F205 I232 F238	A193-F197 VanDerWaalsContact O-CB 3.26Å; A193-F197 WeakPolarHBondContact O-CB 3.2Å; A193-F197 PolarHBondContact O-N 3.38Å; V194-F197 PolarHBondContact O-N 2.89Å; F197-F199 VanDerWaalsContact C-N 3.31Å; F197-F199 PolarHBondContact O-N 3.49Å; F197-V200 PolarHBondContact O-N 3.36Å; F197-K201 HydrophobicContact CE1-CB 4.39Å; F197-K201 HydrophobicContact CE1-CD 3.87Å; F197-K201 HydrophobicContact CZ-CD 4.26Å; F197-K201 WeakPolarHBondContact O-CB 3.26Å; F197-K201 PolarHBondContact O-N 3.11Å; F197-F205 HydrophobicContact CE2-CZ 4.16Å; F197-F205 HydrophobicContact CZ-CE2 4.16Å; F197-F205 HydrophobicContact CZ-CZ 4.22Å; F197-I232 HydrophobicContact CE1-CD1 4.45Å; F197-I232 HydrophobicContact CZ-CD1 4.5Å; F197-F238 AromaticContact CD1-CE1 3.8Å; F197-F238 HydrophobicContact CD1-CE1 3.8Å; F197-F238 AromaticContact CD1-CZ 3.67Å; F197-F238 HydrophobicContact CD1-CZ 3.67Å; F197-F238 HydrophobicContact CE1-CE1 4.03Å; F197-F238 HydrophobicContact CE1-CE2 4.17Å; F197-F238 AromaticContact CE1-CZ 3.39Å; F197-F238 HydrophobicContact CE1-CZ 3.39Å; F197-F238 HydrophobicContact CZ-CZ 4.5Å
198	A	97.5	Very high	96.7	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-61.4	-39.8	178.2	0	0	0	0	0	112.1	V194 S195 A202 P230 F305	V194-A198 WeakPolarHBondContact O-CB 3.3Å; V194-A198 PolarHBondContact O-N 2.96Å; S195-A198 PolarHBondContact O-N 2.77Å; A198-A202 WeakPolarHBondContact O-CB 3.38Å; A198-A202 PolarHBondContact O-N 3.46Å; A198-P230 HydrophobicContact CB-CG 4.46Å; A198-F305 HydrophobicContact CB-CD1 3.72Å; A198-F305 HydrophobicContact CB-CE1 4.06Å
199	F	97.6	Very high	96.4	Very high	34 Å²	34	51.8 Å²	51.8	15%	0.149	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-50.5	175.2	-178.4	-94.8	0	0	0	112	S195 T196 F197 A202 Y203 I218 N221 Y222 I226	S195-F199 WeakPolarHBondContact O-CB 3.43Å; S195-F199 PolarHBondContact O-N 2.7Å; T196-F199 PolarHBondContact O-N 2.92Å; F197-F199 VanDerWaalsContact C-N 3.31Å; F197-F199 PolarHBondContact O-N 3.49Å; F199-A202 PolarHBondContact O-N 3.42Å; F199-Y203 HydrophobicContact CD1-CE2 4.24Å; F199-Y203 HydrophobicContact CD2-CE2 4.41Å; F199-Y203 HydrophobicContact CE1-CD2 4.28Å; F199-Y203 AromaticContact CE1-CE2 3.7Å; F199-Y203 HydrophobicContact CE1-CE2 3.7Å; F199-Y203 AromaticContact CE2-CE2 3.93Å; F199-Y203 HydrophobicContact CE2-CE2 3.93Å; F199-Y203 AromaticContact CZ-CE2 3.52Å; F199-Y203 HydrophobicContact CZ-CE2 3.52Å; F199-Y203 VanDerWaalsContact O-CD2 3.27Å; F199-Y203 WeakPolarHBondContact O-CD2 3.38Å; F199-I218 HydrophobicContact CE2-CG1 4.46Å; F199-I218 HydrophobicContact CZ-CD1 4.31Å; F199-I218 HydrophobicContact CZ-CG1 3.84Å; F199-N221 HydrophobicContact CE2-CB 3.93Å; F199-Y222 HydrophobicContact CB-CD2 3.97Å; F199-Y222 HydrophobicContact CB-CE2 4.38Å; F199-Y222 HydrophobicContact CD1-CD2 4.45Å; F199-Y222 HydrophobicContact CD2-CD2 4.01Å; F199-Y222 AromaticContact CG-CD2 3.9Å; F199-Y222 HydrophobicContact CG-CD2 3.9Å; F199-I226 HydrophobicContact CD2-CD1 3.73Å; F199-I226 HydrophobicContact CD2-CG1 4.44Å; F199-I226 HydrophobicContact CE2-CD1 3.63Å; F199-I226 HydrophobicContact CE2-CG1 4.49Å; F199-I226 HydrophobicContact CZ-CD1 4.37Å
200	V	97.6	Very high	96.1	Very high	65 Å²	65	53.6 Å²	53.6	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-45	178.6	170	0	0	0	0	111.2	T196 F197 A202 Y203 L204	T196-V200 HydrophobicContact CG2-CG2 4.46Å; T196-V200 WeakPolarHBondContact O-CB 3.27Å; T196-V200 WeakPolarHBondContact O-CG2 3.39Å; T196-V200 PolarHBondContact O-N 3.23Å; F197-V200 PolarHBondContact O-N 3.36Å; V200-A202 PolarHBondContact O-N 2.86Å; V200-Y203 PolarHBondContact O-N 3.26Å; V200-L204 HydrophobicContact CG1-CD1 3.52Å; V200-L204 HydrophobicContact CG1-CG 4.12Å; V200-L204 PolarHBondContact O-N 2.92Å; V200-L204 VanDerWaalsContact O-N 3.09Å
201	K	96.9	Very high	95.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.017	28%	0.276	C	S	.	.	H	α-helix	trans	-54.1	-42.4	176.6	172.8	178.2	-177.3	-46.8	0	111.4	F197 Y203 L204 F205 P206 T207 E227 P230 R231	F197-K201 HydrophobicContact CE1-CB 4.39Å; F197-K201 HydrophobicContact CE1-CD 3.87Å; F197-K201 HydrophobicContact CZ-CD 4.26Å; F197-K201 WeakPolarHBondContact O-CB 3.26Å; F197-K201 PolarHBondContact O-N 3.11Å; K201-Y203 PolarHBondContact O-N 2.98Å; K201-L204 PolarHBondContact O-N 2.75Å; K201-F205 HydrophobicContact CB-CD2 4.45Å; K201-F205 HydrophobicContact CB-CE2 3.95Å; K201-F205 HydrophobicContact CB-CZ 4.05Å; K201-F205 HydrophobicContact CD-CD2 4.26Å; K201-F205 HydrophobicContact CD-CE2 3.92Å; K201-F205 HydrophobicContact CG-CD2 3.68Å; K201-F205 HydrophobicContact CG-CE2 3.52Å; K201-F205 HydrophobicContact CG-CG 4.4Å; K201-F205 HydrophobicContact CG-CZ 4.13Å; K201-F205 WeakPolarHBondContact CG-O 3.35Å; K201-F205 PolarHBondContact NZ-O 2.99Å; K201-F205 CarbonylContact O-C 3.57Å; K201-F205 PolarHBondContact O-N 3.43Å; K201-P206 VanDerWaalsContact O-N 3.15Å; K201-T207 PolarHBondContact NZ-OG1 2.87Å; K201-E227 VanDerWaalsContact NZ-CD 3.25Å; K201-E227 IonicContact NZ-OE1 2.76Å; K201-E227 PolarHBondContact NZ-OE1 2.81Å; K201-E227 IonicContact NZ-OE2 3.39Å; K201-E227 PolarHBondContact NZ-OE2 3.11Å; K201-P230 HydrophobicContact CD-CB 4.34Å; K201-R231 WeakPolarHBondContact CE-O 3.39Å
202	A	96.4	Very high	95.4	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-27.3	-179.7	0	0	0	0	0	113.6	A198 F199 V200 I226 E227	A198-A202 WeakPolarHBondContact O-CB 3.38Å; A198-A202 PolarHBondContact O-N 3.46Å; F199-A202 PolarHBondContact O-N 3.42Å; V200-A202 PolarHBondContact O-N 2.86Å; A202-I226 HydrophobicContact CB-CB 3.61Å; A202-I226 HydrophobicContact CB-CD1 4.3Å; A202-I226 HydrophobicContact CB-CG2 3.62Å; A202-E227 HydrophobicContact CB-CB 3.96Å
203	Y	95.5	Very high	95.1	Very high	118 Å²	118	49.9 Å²	49.9	46%	0.463	27%	0.271	S	S	.	.	H	α-helix	trans	-87	-35.9	174.6	-72.5	-84.1	0	0	0	113.5	F199 V200 K201 F214 I226	F199-Y203 HydrophobicContact CD1-CE2 4.24Å; F199-Y203 HydrophobicContact CD2-CE2 4.41Å; F199-Y203 HydrophobicContact CE1-CD2 4.28Å; F199-Y203 AromaticContact CE1-CE2 3.7Å; F199-Y203 HydrophobicContact CE1-CE2 3.7Å; F199-Y203 AromaticContact CE2-CE2 3.93Å; F199-Y203 HydrophobicContact CE2-CE2 3.93Å; F199-Y203 AromaticContact CZ-CE2 3.52Å; F199-Y203 HydrophobicContact CZ-CE2 3.52Å; F199-Y203 VanDerWaalsContact O-CD2 3.27Å; F199-Y203 WeakPolarHBondContact O-CD2 3.38Å; V200-Y203 PolarHBondContact O-N 3.26Å; K201-Y203 PolarHBondContact O-N 2.98Å; Y203-F214 AromaticContact CD1-CE1 3.85Å; Y203-F214 HydrophobicContact CD1-CE1 3.85Å; Y203-F214 HydrophobicContact CD1-CZ 4.5Å; Y203-F214 AromaticContact CE1-CD1 3.93Å; Y203-F214 HydrophobicContact CE1-CD1 3.93Å; Y203-F214 AromaticContact CE1-CE1 3.4Å; Y203-F214 HydrophobicContact CE1-CE1 3.4Å; Y203-F214 VanDerWaalsContact CE1-CE1 3.4Å; Y203-F214 HydrophobicContact CE1-CZ 4.42Å; Y203-F214 HydrophobicContact CE2-CE1 4.3Å; Y203-F214 HydrophobicContact CG-CE1 4.47Å; Y203-F214 AromaticContact CZ-CE1 3.65Å; Y203-I226 HydrophobicContact CD2-CD1 4.06Å; Y203-I226 HydrophobicContact CE2-CD1 3.24Å
204	L	96.6	Very high	94.8	Very high	125 Å²	125	51.9 Å²	51.9	65%	0.654	27%	0.27	S	S	*	.	H	α-helix	trans	-95.7	-41.6	-169.6	-61	-176.8	0	0	0	113.5	V200 K201	V200-L204 HydrophobicContact CG1-CD1 3.52Å; V200-L204 HydrophobicContact CG1-CG 4.12Å; V200-L204 PolarHBondContact O-N 2.92Å; V200-L204 VanDerWaalsContact O-N 3.09Å; K201-L204 PolarHBondContact O-N 2.75Å
205	F	96.4	Very high	94.4	Very high	110 Å²	110	52.6 Å²	52.6	48%	0.482	27%	0.274	S	S	.	.			trans	-154.6	65	-174.7	52.1	-85.7	0	0	0	111.1	F197 K201	F197-F205 HydrophobicContact CE2-CZ 4.16Å; F197-F205 HydrophobicContact CZ-CE2 4.16Å; F197-F205 HydrophobicContact CZ-CZ 4.22Å; K201-F205 HydrophobicContact CB-CD2 4.45Å; K201-F205 HydrophobicContact CB-CE2 3.95Å; K201-F205 HydrophobicContact CB-CZ 4.05Å; K201-F205 HydrophobicContact CD-CD2 4.26Å; K201-F205 HydrophobicContact CD-CE2 3.92Å; K201-F205 HydrophobicContact CG-CD2 3.68Å; K201-F205 HydrophobicContact CG-CE2 3.52Å; K201-F205 HydrophobicContact CG-CG 4.4Å; K201-F205 HydrophobicContact CG-CZ 4.13Å; K201-F205 WeakPolarHBondContact CG-O 3.35Å; K201-F205 PolarHBondContact NZ-O 2.99Å; K201-F205 CarbonylContact O-C 3.57Å; K201-F205 PolarHBondContact O-N 3.43Å
206	P	95.3	Very high	93.8	Very high	41 Å²	41	56.5 Å²	56.5	27%	0.266	32%	0.315	S	S	.	.			trans	-61.2	143.7	175	27.7	-34.9	0	0	0	110.3	K201 A209 C212	K201-P206 VanDerWaalsContact O-N 3.15Å; P206-A209 HydrophobicContact CG-CB 3.98Å; P206-C212 VanDerWaalsContact CB-SG 3.54Å
207	T	93.8	Very high	93.6	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	31%	0.305	S	S	.	.	S	Bend	trans	-63.7	-47.7	176.1	-62.5	0	0	0	0	109	K201 E227 R231	K201-T207 PolarHBondContact NZ-OG1 2.87Å; T207-E227 WeakPolarHBondContact CA-OE1 3.36Å; T207-E227 WeakPolarHBondContact CB-OE1 3.42Å; T207-E227 PolarHBondContact N-OE1 3.1Å; T207-E227 PolarHBondContact OG1-OE1 3.01Å; T207-E227 VanDerWaalsContact OG1-OE1 3.05Å; T207-R231 HydrophobicContact CG2-CB 4.01Å; T207-R231 HydrophobicContact CG2-CG 4.35Å; T207-R231 PolarHBondContact OG1-N 2.92Å; T207-R231 PolarHBondContact OG1-O 3.12Å
208	N	90.4	Very high	93.4	Very high	34 Å²	34	56.5 Å²	56.5	18%	0.182	32%	0.315	C	S	.	.			trans	-131.8	106.2	173.1	-63.6	-24.1	0	0	0	109.3	E210 D211 C212	N208-E210 VanDerWaalsContact C-N 3.28Å; N208-E210 PolarHBondContact O-N 3.31Å; N208-D211 HydrophobicContact CB-CB 4.22Å; N208-D211 PolarHBondContact O-N 2.81Å; N208-C212 PolarHBondContact O-SG 3.28Å; N208-C212 VanDerWaalsContact O-SG 3.41Å
209	A	91.4	Very high	93.3	Very high	73 Å²	73	61.6 Å²	61.6	60%	0.603	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-63.9	-32.4	-178.9	0	0	0	0	0	113	P206 D211 C212	P206-A209 HydrophobicContact CG-CB 3.98Å; A209-D211 VanDerWaalsContact C-N 3.26Å; A209-D211 PolarHBondContact O-N 3.44Å; A209-C212 WeakPolarHBondContact O-CB 3.42Å; A209-C212 PolarHBondContact O-N 3.14Å
210	E	89.7	Confident	93.1	Very high	146 Å²	146	60.9 Å²	60.9	68%	0.682	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-69.3	-22.1	179.8	-63.1	-177.9	179.6	0	0	113.5	A140 N208	A140-E210 HydrophobicContact CB-CB 3.55Å; N208-E210 VanDerWaalsContact C-N 3.28Å; N208-E210 PolarHBondContact O-N 3.31Å
211	D	89.9	Confident	93	Very high	4 Å²	4	58 Å²	58	2%	0.021	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-93.7	2.2	176.4	-75.2	-37.4	0	0	0	112.6	T138 P139 A140 N208 A209 F228 H304	T138-D211 WeakPolarHBondContact CB-OD2 3.41Å; T138-D211 PolarHBondContact OG1-OD1 3.46Å; T138-D211 PolarHBondContact OG1-OD2 2.7Å; P139-D211 VanDerWaalsContact CD-OD1 3.25Å; P139-D211 WeakPolarHBondContact CD-OD1 3.4Å; A140-D211 WeakPolarHBondContact CB-OD1 3.42Å; A140-D211 PolarHBondContact N-OD1 2.88Å; N208-D211 HydrophobicContact CB-CB 4.22Å; N208-D211 PolarHBondContact O-N 2.81Å; A209-D211 VanDerWaalsContact C-N 3.26Å; A209-D211 PolarHBondContact O-N 3.44Å; D211-F228 HydrophobicContact CB-CB 3.86Å; D211-F228 WeakPolarHBondContact O-CB 3.16Å; D211-H304 PolarHBondContact O-NE2 3.39Å; D211-H304 VanDerWaalsContact O-NE2 3.14Å
212	C	92.3	Very high	93	Very high	19 Å²	19	59.6 Å²	59.6	13%	0.128	32%	0.321	C	S	.	.			trans	-80.4	141.9	176.3	-68.2	0	0	0	0	111.8	P206 N208 A209 F214 I226	P206-C212 VanDerWaalsContact CB-SG 3.54Å; N208-C212 PolarHBondContact O-SG 3.28Å; N208-C212 VanDerWaalsContact O-SG 3.41Å; A209-C212 WeakPolarHBondContact O-CB 3.42Å; A209-C212 PolarHBondContact O-N 3.14Å; C212-F214 HydrophobicContact CB-CE2 3.89Å; C212-F214 HydrophobicContact CB-CZ 4.42Å; C212-I226 CarbonylContact C-O 3.48Å; C212-I226 VanDerWaalsContact CA-O 3.29Å; C212-I226 WeakPolarHBondContact CA-O 3.44Å; C212-I226 HydrophobicContact CB-CG2 4.1Å
213	K	91.1	Very high	92.9	Very high	19 Å²	19	59.6 Å²	59.6	8%	0.083	32%	0.321	C	S	.	.			trans	-129.7	123.8	179.6	-65.5	-165.1	179.8	-148.8	0	112.3	W32 R34 W36 I226	W32-K213 PolarHBondContact O-NZ 3.48Å; R34-K213 HydrophobicContact CG-CD 4.23Å; W36-K213 HydrophobicContact CH2-CD 4.49Å; W36-K213 HydrophobicContact CZ2-CD 4.17Å; K213-I226 PolarHBondContact N-O 3.39Å
214	F	91.7	Very high	92.8	Very high	95 Å²	95	55.5 Å²	55.5	42%	0.417	31%	0.306	S	S	.	.			trans	-115.4	134.4	178.7	-58.9	-91.8	0	0	0	110	Y203 C212 I226	Y203-F214 AromaticContact CD1-CE1 3.85Å; Y203-F214 HydrophobicContact CD1-CE1 3.85Å; Y203-F214 HydrophobicContact CD1-CZ 4.5Å; Y203-F214 AromaticContact CE1-CD1 3.93Å; Y203-F214 HydrophobicContact CE1-CD1 3.93Å; Y203-F214 AromaticContact CE1-CE1 3.4Å; Y203-F214 HydrophobicContact CE1-CE1 3.4Å; Y203-F214 VanDerWaalsContact CE1-CE1 3.4Å; Y203-F214 HydrophobicContact CE1-CZ 4.42Å; Y203-F214 HydrophobicContact CE2-CE1 4.3Å; Y203-F214 HydrophobicContact CG-CE1 4.47Å; Y203-F214 AromaticContact CZ-CE1 3.65Å; C212-F214 HydrophobicContact CB-CE2 3.89Å; C212-F214 HydrophobicContact CB-CZ 4.42Å; F214-I226 HydrophobicContact CD1-CD1 4.08Å; F214-I226 HydrophobicContact CD1-CG1 4.39Å; F214-I226 HydrophobicContact CD1-CG2 3.85Å; F214-I226 HydrophobicContact CD2-CG2 4.3Å; F214-I226 HydrophobicContact CE1-CD1 3.84Å; F214-I226 HydrophobicContact CE1-CG1 4.38Å; F214-I226 HydrophobicContact CE1-CG2 3.41Å; F214-I226 VanDerWaalsContact CE1-CG2 3.41Å; F214-I226 HydrophobicContact CE2-CG2 3.9Å; F214-I226 HydrophobicContact CG-CG2 4.28Å; F214-I226 HydrophobicContact CZ-CG2 3.44Å; F214-I226 VanDerWaalsContact CZ-CG2 3.44Å
215	T	88.6	Confident	92.7	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.141	28%	0.276	C	S	.	.			trans	-113.4	5.4	-177	63.6	0	0	0	0	114.1	A35 V38 N217 Y220 N221	A35-T215 WeakPolarHBondContact O-CG2 3.32Å; V38-T215 HydrophobicContact CG2-CG2 4.39Å; T215-N217 PolarHBondContact O-N 3.42Å; T215-Y220 HydrophobicContact CG2-CD1 3.82Å; T215-Y220 HydrophobicContact CG2-CE1 3.92Å; T215-N221 PolarHBondContact N-OD1 3.31Å; T215-N221 VanDerWaalsContact N-OD1 3.12Å; T215-N221 PolarHBondContact OG1-OD1 2.89Å
216	G	85.5	Confident	92.7	Very high	83 Å²	83	44.5 Å²	44.5	86%	0.856	25%	0.254	S	S	*	.	S	Bend	trans	71.7	-13.4	-172.9	0	0	0	0	0	115.2
217	N	92.5	Very high	92.7	Very high	33 Å²	33	42.7 Å²	42.7	18%	0.176	24%	0.242	C	C	.	.			trans	-102.2	118.2	177.3	-172.7	-67.1	0	0	0	111.6	V38 L43 T215 F219 Y220 N221	V38-N217 HydrophobicContact CB-CB 4.37Å; V38-N217 HydrophobicContact CG2-CB 4.04Å; L43-N217 VanDerWaalsContact CD1-ND2 3.27Å; L43-N217 WeakPolarHBondContact CD1-ND2 3.31Å; L43-N217 WeakPolarHBondContact CD1-OD1 3.44Å; T215-N217 PolarHBondContact O-N 3.42Å; N217-F219 PolarHBondContact OD1-N 3.26Å; N217-Y220 PolarHBondContact OD1-N 3.42Å; N217-N221 VanDerWaalsContact O-CB 3.29Å; N217-N221 WeakPolarHBondContact O-CB 3.35Å; N217-N221 PolarHBondContact O-N 3.16Å; N217-N221 PolarHBondContact O-ND2 3.4Å
218	I	94.6	Very high	92.6	Very high	104 Å²	104	40.5 Å²	40.5	53%	0.533	23%	0.228	S	C	.	.	H	α-helix	trans	-64.3	-42.3	-176.2	-169.3	167	0	0	0	113.1	F199 N221 Y222	F199-I218 HydrophobicContact CE2-CG1 4.46Å; F199-I218 HydrophobicContact CZ-CD1 4.31Å; F199-I218 HydrophobicContact CZ-CG1 3.84Å; I218-N221 PolarHBondContact O-N 3.39Å; I218-Y222 WeakPolarHBondContact O-CB 3.38Å; I218-Y222 PolarHBondContact O-N 2.99Å
219	F	95	Very high	92.8	Very high	111 Å²	111	39.5 Å²	39.5	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-66.4	-45	-178.8	-63.7	-74.3	0	0	0	111.3	L43 V46 V47 L50 N217 Y222 M223	L43-F219 HydrophobicContact CD1-CB 4.16Å; L43-F219 HydrophobicContact CD1-CD2 4.48Å; V46-F219 HydrophobicContact CG1-CB 4.26Å; V47-F219 HydrophobicContact CG2-CB 4.29Å; V47-F219 HydrophobicContact CG2-CD2 4.49Å; V47-F219 HydrophobicContact CG2-CG 4.19Å; L50-F219 HydrophobicContact CD1-CD1 4.35Å; N217-F219 PolarHBondContact OD1-N 3.26Å; F219-Y222 PolarHBondContact O-N 3.47Å; F219-M223 VanDerWaalsContact O-CB 3.32Å; F219-M223 WeakPolarHBondContact O-CB 3.47Å; F219-M223 PolarHBondContact O-N 3.45Å
220	Y	94	Very high	93.1	Very high	19 Å²	19	36 Å²	36	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-39.2	176.9	-170.3	-103.4	0	0	0	111.6	R34 A35 V38 V46 T215 N217 M224	R34-Y220 PolarHBondContact NH1-O 3.46Å; R34-Y220 PolarHBondContact NH2-O 3.04Å; R34-Y220 VanDerWaalsContact NH2-O 3.07Å; A35-Y220 HydrophobicContact CB-CE1 4.26Å; A35-Y220 WeakPolarHBondContact CB-OH 3.18Å; A35-Y220 PolarHBondContact N-OH 2.84Å; V38-Y220 HydrophobicContact CB-CD1 4.48Å; V38-Y220 HydrophobicContact CB-CG 4.38Å; V38-Y220 HydrophobicContact CG1-CD1 4.49Å; V38-Y220 HydrophobicContact CG1-CD2 3.99Å; V38-Y220 HydrophobicContact CG1-CG 3.94Å; V38-Y220 HydrophobicContact CG2-CD1 3.23Å; V38-Y220 HydrophobicContact CG2-CD2 4.19Å; V38-Y220 HydrophobicContact CG2-CE1 3.93Å; V38-Y220 HydrophobicContact CG2-CG 3.48Å; V38-Y220 VanDerWaalsContact CG2-CG 3.48Å; V46-Y220 HydrophobicContact CG2-CD2 3.69Å; V46-Y220 HydrophobicContact CG2-CE2 4.23Å; T215-Y220 HydrophobicContact CG2-CD1 3.82Å; T215-Y220 HydrophobicContact CG2-CE1 3.92Å; N217-Y220 PolarHBondContact OD1-N 3.42Å; Y220-M224 HydrophobicContact CD2-CG 4.16Å; Y220-M224 HydrophobicContact CE1-CG 4.46Å; Y220-M224 HydrophobicContact CE2-CG 3.7Å; Y220-M224 WeakPolarHBondContact O-CB 3.45Å; Y220-M224 PolarHBondContact O-N 2.96Å
221	N	95.1	Very high	93.4	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-43.3	173.4	-75	-11.4	0	0	0	112.2	R34 F199 T215 N217 I218 G225 I226	R34-N221 PolarHBondContact NH2-OD1 3.23Å; R34-N221 VanDerWaalsContact NH2-OD1 3.09Å; F199-N221 HydrophobicContact CE2-CB 3.93Å; T215-N221 PolarHBondContact N-OD1 3.31Å; T215-N221 VanDerWaalsContact N-OD1 3.12Å; T215-N221 PolarHBondContact OG1-OD1 2.89Å; N217-N221 VanDerWaalsContact O-CB 3.29Å; N217-N221 WeakPolarHBondContact O-CB 3.35Å; N217-N221 PolarHBondContact O-N 3.16Å; N217-N221 PolarHBondContact O-ND2 3.4Å; I218-N221 PolarHBondContact O-N 3.39Å; N221-G225 CarbonylContact O-C 3.13Å; N221-G225 VanDerWaalsContact O-CA 3.29Å; N221-G225 WeakPolarHBondContact O-CA 3.49Å; N221-G225 PolarHBondContact O-N 3.38Å; N221-I226 HydrophobicContact CB-CD1 4.02Å; N221-I226 HydrophobicContact CB-CG1 3.77Å
222	Y	96.7	Very high	93.6	Very high	39 Å²	39	34 Å²	34	15%	0.153	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-48.3	177.6	-175.4	-100.3	0	0	0	112.2	L50 T196 F199 I218 F219 W307	L50-Y222 HydrophobicContact CD2-CD1 4.1Å; L50-Y222 HydrophobicContact CD2-CE1 4.23Å; T196-Y222 PolarHBondContact OG1-OH 2.8Å; F199-Y222 HydrophobicContact CB-CD2 3.97Å; F199-Y222 HydrophobicContact CB-CE2 4.38Å; F199-Y222 HydrophobicContact CD1-CD2 4.45Å; F199-Y222 HydrophobicContact CD2-CD2 4.01Å; F199-Y222 AromaticContact CG-CD2 3.9Å; F199-Y222 HydrophobicContact CG-CD2 3.9Å; I218-Y222 WeakPolarHBondContact O-CB 3.38Å; I218-Y222 PolarHBondContact O-N 2.99Å; F219-Y222 PolarHBondContact O-N 3.47Å; Y222-W307 HydrophobicContact CD1-CB 3.89Å; Y222-W307 HydrophobicContact CD1-CG 4.41Å; Y222-W307 HydrophobicContact CE1-CB 3.65Å; Y222-W307 AromaticContact CE1-CD1 3.65Å; Y222-W307 AromaticContact CE1-CG 3.84Å; Y222-W307 HydrophobicContact CE1-CG 3.84Å; Y222-W307 PolarHBondContact O-N 3.4Å
223	M	94.7	Very high	93.6	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-56.8	-180	-178.7	95.7	-174.7	0	0	112.1	V46 L49 L50 F219 G306 W307 Y308	V46-M223 HydrophobicContact CB-CB 4.43Å; V46-M223 HydrophobicContact CB-CG 4.36Å; V46-M223 HydrophobicContact CG1-CB 3.45Å; V46-M223 VanDerWaalsContact CG1-CB 3.45Å; V46-M223 HydrophobicContact CG1-CG 3.79Å; V46-M223 HydrophobicContact CG1-SD 4.09Å; V46-M223 HydrophobicContact CG2-CB 4.17Å; V46-M223 HydrophobicContact CG2-CG 3.88Å; L49-M223 HydrophobicContact CB-CE 3.66Å; L49-M223 HydrophobicContact CB-SD 4.32Å; L49-M223 HydrophobicContact CD1-CE 3.67Å; L49-M223 HydrophobicContact CG-CE 4.32Å; L50-M223 HydrophobicContact CD1-SD 4.45Å; L50-M223 HydrophobicContact CD2-SD 3.76Å; L50-M223 HydrophobicContact CG-SD 3.68Å; F219-M223 VanDerWaalsContact O-CB 3.32Å; F219-M223 WeakPolarHBondContact O-CB 3.47Å; F219-M223 PolarHBondContact O-N 3.45Å; M223-G306 CarbonylContact O-C 3.39Å; M223-W307 HydrophobicContact CE-CE3 3.85Å; M223-W307 HydrophobicContact CE-CZ3 3.71Å; M223-W307 PolarHBondContact O-N 2.92Å; M223-W307 VanDerWaalsContact O-N 3.1Å; M223-W307 HydrophobicContact SD-CE3 3.51Å; M223-W307 VanDerWaalsContact SD-CE3 3.51Å; M223-W307 HydrophobicContact SD-CZ3 3.78Å; M223-Y308 HydrophobicContact CE-CD2 3.9Å; M223-Y308 WeakPolarHBondContact O-CB 3.5Å; M223-Y308 PolarHBondContact O-N 2.96Å
224	M	93.6	Very high	93.5	Very high	32 Å²	32	41.9 Å²	41.9	16%	0.158	24%	0.237	C	C	.	.	H	α-helix	trans	-90.2	-6.2	-169.4	-65.8	-59.1	-59.6	0	0	113.1	R34 Y220 H304	R34-M224 PolarHBondContact NH1-O 3.47Å; Y220-M224 HydrophobicContact CD2-CG 4.16Å; Y220-M224 HydrophobicContact CE1-CG 4.46Å; Y220-M224 HydrophobicContact CE2-CG 3.7Å; Y220-M224 WeakPolarHBondContact O-CB 3.45Å; Y220-M224 PolarHBondContact O-N 2.96Å; M224-H304 CarbonylContact O-C 3.17Å; M224-H304 VanDerWaalsContact O-CB 3.24Å; M224-H304 WeakPolarHBondContact O-CB 3.21Å
225	G	95.3	Very high	93.6	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	24%	0.237	C	C	.	.			trans	81.7	136.3	177.4	0	0	0	0	0	115	R34 N221 H304 F305 G306	R34-G225 WeakPolarHBondContact CD-O 3.23Å; R34-G225 VanDerWaalsContact NH1-C 3.32Å; R34-G225 VanDerWaalsContact NH1-N 3.18Å; R34-G225 PolarHBondContact NH1-O 2.9Å; N221-G225 CarbonylContact O-C 3.13Å; N221-G225 VanDerWaalsContact O-CA 3.29Å; N221-G225 WeakPolarHBondContact O-CA 3.49Å; N221-G225 PolarHBondContact O-N 3.38Å; G225-H304 WeakPolarHBondContact O-CB 3.19Å; G225-F305 VanDerWaalsContact CA-C 3.48Å; G225-F305 VanDerWaalsContact CA-O 3.23Å; G225-F305 WeakPolarHBondContact CA-O 3.4Å; G225-G306 VanDerWaalsContact CA-CA 3.47Å
226	I	95.3	Very high	93.9	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	-88.7	-44.1	178.2	-65	167	0	0	0	110.9	F199 A202 Y203 C212 K213 F214 N221 H304	F199-I226 HydrophobicContact CD2-CD1 3.73Å; F199-I226 HydrophobicContact CD2-CG1 4.44Å; F199-I226 HydrophobicContact CE2-CD1 3.63Å; F199-I226 HydrophobicContact CE2-CG1 4.49Å; F199-I226 HydrophobicContact CZ-CD1 4.37Å; A202-I226 HydrophobicContact CB-CB 3.61Å; A202-I226 HydrophobicContact CB-CD1 4.3Å; A202-I226 HydrophobicContact CB-CG2 3.62Å; Y203-I226 HydrophobicContact CD2-CD1 4.06Å; Y203-I226 HydrophobicContact CE2-CD1 3.24Å; C212-I226 CarbonylContact C-O 3.48Å; C212-I226 VanDerWaalsContact CA-O 3.29Å; C212-I226 WeakPolarHBondContact CA-O 3.44Å; C212-I226 HydrophobicContact CB-CG2 4.1Å; K213-I226 PolarHBondContact N-O 3.39Å; F214-I226 HydrophobicContact CD1-CD1 4.08Å; F214-I226 HydrophobicContact CD1-CG1 4.39Å; F214-I226 HydrophobicContact CD1-CG2 3.85Å; F214-I226 HydrophobicContact CD2-CG2 4.3Å; F214-I226 HydrophobicContact CE1-CD1 3.84Å; F214-I226 HydrophobicContact CE1-CG1 4.38Å; F214-I226 HydrophobicContact CE1-CG2 3.41Å; F214-I226 VanDerWaalsContact CE1-CG2 3.41Å; F214-I226 HydrophobicContact CE2-CG2 3.9Å; F214-I226 HydrophobicContact CG-CG2 4.28Å; F214-I226 HydrophobicContact CZ-CG2 3.44Å; F214-I226 VanDerWaalsContact CZ-CG2 3.44Å; N221-I226 HydrophobicContact CB-CD1 4.02Å; N221-I226 HydrophobicContact CB-CG1 3.77Å; I226-H304 PolarHBondContact O-CD2 2.83Å
227	E	94.7	Very high	94.5	Very high	3 Å²	3	39 Å²	39	1%	0.014	20%	0.195	C	C	.	.	S	Bend	trans	-87.5	134.2	-177.5	-175.6	170.5	-174.4	0	0	110.3	K201 A202 T207 P230 H304 F305	K201-E227 VanDerWaalsContact NZ-CD 3.25Å; K201-E227 IonicContact NZ-OE1 2.76Å; K201-E227 PolarHBondContact NZ-OE1 2.81Å; K201-E227 IonicContact NZ-OE2 3.39Å; K201-E227 PolarHBondContact NZ-OE2 3.11Å; A202-E227 HydrophobicContact CB-CB 3.96Å; T207-E227 WeakPolarHBondContact CA-OE1 3.36Å; T207-E227 WeakPolarHBondContact CB-OE1 3.42Å; T207-E227 PolarHBondContact N-OE1 3.1Å; T207-E227 PolarHBondContact OG1-OE1 3.01Å; T207-E227 VanDerWaalsContact OG1-OE1 3.05Å; E227-P230 HydrophobicContact CB-CB 4.46Å; E227-P230 VanDerWaalsContact CD-CA 3.45Å; E227-P230 HydrophobicContact CG-CB 4.11Å; E227-P230 WeakPolarHBondContact OE1-CA 3.25Å; E227-P230 WeakPolarHBondContact OE2-CB 3.27Å; E227-H304 VanDerWaalsContact C-CD2 3.43Å; E227-F305 PolarHBondContact O-N 2.87Å
228	F	93.7	Very high	94.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	19%	0.189	C	C	.	.	S	Bend	trans	-68	-59.1	-173.8	-179.1	-133.5	0	0	0	111.7	W32 T138 D211 K239 I300 C301 D303 H304	W32-F228 AromaticContact CH2-CD1 3.88Å; W32-F228 HydrophobicContact CH2-CD1 3.88Å; W32-F228 AromaticContact CH2-CD2 3.7Å; W32-F228 HydrophobicContact CH2-CD2 3.7Å; W32-F228 AromaticContact CH2-CE1 3.52Å; W32-F228 HydrophobicContact CH2-CE1 3.52Å; W32-F228 AromaticContact CH2-CE2 3.36Å; W32-F228 HydrophobicContact CH2-CE2 3.36Å; W32-F228 AromaticContact CH2-CG 4Å; W32-F228 HydrophobicContact CH2-CG 4Å; W32-F228 AromaticContact CH2-CZ 3.3Å; W32-F228 HydrophobicContact CH2-CZ 3.3Å; W32-F228 HydrophobicContact CZ2-CE1 4.13Å; W32-F228 HydrophobicContact CZ2-CE2 4.22Å; W32-F228 AromaticContact CZ2-CZ 3.84Å; W32-F228 HydrophobicContact CZ2-CZ 3.84Å; W32-F228 HydrophobicContact CZ3-CD2 4.05Å; W32-F228 HydrophobicContact CZ3-CE2 4.08Å; W32-F228 HydrophobicContact CZ3-CG 4.37Å; W32-F228 HydrophobicContact CZ3-CZ 4.38Å; T138-F228 HydrophobicContact CG2-CD1 4Å; T138-F228 HydrophobicContact CG2-CE1 3.86Å; D211-F228 HydrophobicContact CB-CB 3.86Å; D211-F228 WeakPolarHBondContact O-CB 3.16Å; F228-K239 WeakPolarHBondContact O-CE 3.35Å; F228-K239 PolarHBondContact O-NZ 3.19Å; F228-I300 WeakPolarHBondContact CE2-O 3.24Å; F228-I300 WeakPolarHBondContact CZ-O 3.43Å; F228-C301 VanDerWaalsContact CZ-O 3.25Å; F228-C301 WeakPolarHBondContact CZ-O 3.31Å; F228-D303 WeakPolarHBondContact CD2-O 3.35Å; F228-D303 VanDerWaalsContact CE2-O 3.22Å; F228-D303 WeakPolarHBondContact CE2-O 3.49Å; F228-H304 WeakPolarHBondContact CA-CD2 3.44Å; F228-H304 AromaticContact CD2-CE1 3.96Å; F228-H304 PolarHBondContact N-CD2 3.19Å; F228-H304 VanDerWaalsContact N-CD2 3.31Å
229	N	94.6	Very high	94.8	Very high	12 Å²	12	33 Å²	33	6%	0.064	16%	0.164	C	C	.	.	S	Bend	trans	-128.3	84.5	175.6	-67.2	-45.6	0	0	0	109.3	R231 K239 I300	N229-R231 PolarHBondContact O-N 3.26Å; N229-K239 VanDerWaalsContact OD1-CD 3.3Å; N229-K239 WeakPolarHBondContact OD1-CD 3.46Å; N229-K239 VanDerWaalsContact OD1-CE 3.29Å; N229-K239 WeakPolarHBondContact OD1-CE 3.34Å; N229-K239 PolarHBondContact OD1-NZ 2.93Å; N229-I300 PolarHBondContact OD1-O 3.45Å
230	P	96.4	Very high	94.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.			trans	-62.9	135.7	178.6	18.4	-23.3	0	0	0	111	A198 K201 E227 F238 F305	A198-P230 HydrophobicContact CB-CG 4.46Å; K201-P230 HydrophobicContact CD-CB 4.34Å; E227-P230 HydrophobicContact CB-CB 4.46Å; E227-P230 VanDerWaalsContact CD-CA 3.45Å; E227-P230 HydrophobicContact CG-CB 4.11Å; E227-P230 WeakPolarHBondContact OE1-CA 3.25Å; E227-P230 WeakPolarHBondContact OE2-CB 3.27Å; P230-F238 HydrophobicContact CB-CD2 4.19Å; P230-F238 HydrophobicContact CB-CG 4.46Å; P230-F238 HydrophobicContact CG-CB 4.07Å; P230-F238 HydrophobicContact CG-CG 4.34Å; P230-F238 WeakPolarHBondContact O-CD2 3.4Å; P230-F238 PolarHBondContact O-N 2.68Å; P230-F305 HydrophobicContact CG-CB 3.56Å; P230-F305 HydrophobicContact CG-CD1 3.7Å; P230-F305 HydrophobicContact CG-CG 3.91Å
231	R	96.3	Very high	95	Very high	14 Å²	14	27 Å²	27	5%	0.053	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.5	178.3	-62.5	-172.8	165.3	-139.8	-7.8	113.7	K145 Y146 K201 T207 N229 K234 F236 D237	K145-R231 PolarHBondContact O-NH1 3.43Å; K145-R231 PolarHBondContact O-NH2 3.21Å; Y146-R231 PolarHBondContact OH-NH2 3.36Å; K201-R231 WeakPolarHBondContact CE-O 3.39Å; T207-R231 HydrophobicContact CG2-CB 4.01Å; T207-R231 HydrophobicContact CG2-CG 4.35Å; T207-R231 PolarHBondContact OG1-N 2.92Å; T207-R231 PolarHBondContact OG1-O 3.12Å; N229-R231 PolarHBondContact O-N 3.26Å; R231-K234 PolarHBondContact NH1-O 3.11Å; R231-F236 CarbonylContact C-O 3.57Å; R231-F236 WeakPolarHBondContact CA-O 3.42Å; R231-F236 WeakPolarHBondContact CB-O 3.49Å; R231-D237 HydrophobicContact CG-CB 4.37Å; R231-D237 IonicContact CZ-OD2 2.66Å; R231-D237 IonicContact NE-OD2 3.16Å; R231-D237 PolarHBondContact NE-OD2 2.97Å; R231-D237 IonicContact NH2-OD2 3.71Å; R231-D237 PolarHBondContact NH2-OD2 3.04Å
232	I	95	Very high	95	Very high	95 Å²	95	27.3 Å²	27.3	49%	0.487	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.7	160.8	-70.5	157.9	0	0	0	107.9	F197 F236 F238	F197-I232 HydrophobicContact CE1-CD1 4.45Å; F197-I232 HydrophobicContact CZ-CD1 4.5Å; I232-F236 HydrophobicContact CB-CB 4.14Å; I232-F236 HydrophobicContact CB-CD1 4.32Å; I232-F236 HydrophobicContact CD1-CD1 4.28Å; I232-F236 PolarHBondContact N-O 3.13Å; I232-F236 WeakPolarHBondContact O-CB 3.32Å; I232-F236 PolarHBondContact O-N 2.96Å; I232-F238 HydrophobicContact CD1-CE2 3.75Å; I232-F238 HydrophobicContact CD1-CZ 3.6Å; I232-F238 HydrophobicContact CG1-CE2 3.83Å; I232-F238 HydrophobicContact CG1-CZ 4.12Å
233	G	91.8	Very high	95	Very high	66 Å²	66	26.1 Å²	26.1	68%	0.68	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	-150.6	-171.5	0	0	0	0	0	112
234	K	89.2	Confident	94.9	Very high	137 Å²	137	26 Å²	26	60%	0.596	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-30.6	-177.3	-171.5	174.6	-179.9	177.9	0	113.4	R231	R231-K234 PolarHBondContact NH1-O 3.11Å
235	W	92.6	Very high	95	Very high	113 Å²	113	24.5 Å²	24.5	43%	0.428	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-32.4	-160.5	-62.3	115.5	0	0	0	114.7	V132 K145 D237	V132-W235 HydrophobicContact CG1-CH2 4.46Å; V132-W235 HydrophobicContact CG1-CZ3 4.42Å; V132-W235 HydrophobicContact CG2-CH2 4.31Å; V132-W235 HydrophobicContact CG2-CZ3 4.43Å; K145-W235 HydrophobicContact CB-CZ3 4.18Å; W235-D237 PolarHBondContact O-N 3.37Å; W235-D237 VanDerWaalsContact O-N 3.16Å
236	F	96.4	Very high	94.8	Very high	26 Å²	26	24.5 Å²	24.5	11%	0.114	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	103.9	-176.7	-171.6	-83.6	0	0	0	110.4	V111 Y114 V115 R231 I232 F238 F241	V111-F236 HydrophobicContact CG2-CE2 4.35Å; Y114-F236 AromaticContact CD1-CD2 3.79Å; Y114-F236 HydrophobicContact CD1-CD2 3.79Å; Y114-F236 HydrophobicContact CD1-CE2 4.01Å; Y114-F236 AromaticContact CE1-CD2 3.86Å; Y114-F236 HydrophobicContact CE1-CD2 3.86Å; Y114-F236 HydrophobicContact CE1-CE2 4.28Å; Y114-F236 HydrophobicContact CE1-CG 4.31Å; V115-F236 HydrophobicContact CG2-CD2 3.71Å; V115-F236 HydrophobicContact CG2-CE2 4.45Å; R231-F236 CarbonylContact C-O 3.57Å; R231-F236 WeakPolarHBondContact CA-O 3.42Å; R231-F236 WeakPolarHBondContact CB-O 3.49Å; I232-F236 HydrophobicContact CB-CB 4.14Å; I232-F236 HydrophobicContact CB-CD1 4.32Å; I232-F236 HydrophobicContact CD1-CD1 4.28Å; I232-F236 PolarHBondContact N-O 3.13Å; I232-F236 WeakPolarHBondContact O-CB 3.32Å; I232-F236 PolarHBondContact O-N 2.96Å; F236-F238 AromaticContact CD1-CD2 3.88Å; F236-F238 HydrophobicContact CD1-CD2 3.88Å; F236-F238 AromaticContact CD1-CE2 3.78Å; F236-F238 HydrophobicContact CD1-CE2 3.78Å; F236-F238 HydrophobicContact CD1-CZ 4.41Å; F236-F238 HydrophobicContact CE1-CD1 4.42Å; F236-F238 AromaticContact CE1-CD2 3.84Å; F236-F238 HydrophobicContact CE1-CD2 3.84Å; F236-F238 HydrophobicContact CE1-CE1 4.35Å; F236-F238 AromaticContact CE1-CE2 3.79Å; F236-F238 HydrophobicContact CE1-CE2 3.79Å; F236-F238 HydrophobicContact CE1-CG 4.18Å; F236-F238 HydrophobicContact CE1-CZ 4.04Å; F236-F241 HydrophobicContact CE1-CB 4.46Å; F236-F241 HydrophobicContact CE1-CD1 4.33Å; F236-F241 HydrophobicContact CE1-CG 4.47Å; F236-F241 HydrophobicContact CE2-CB 4.25Å; F236-F241 AromaticContact CE2-CD1 3.94Å; F236-F241 HydrophobicContact CE2-CD1 3.94Å; F236-F241 AromaticContact CE2-CD2 3.92Å; F236-F241 HydrophobicContact CE2-CD2 3.92Å; F236-F241 HydrophobicContact CE2-CE1 4.29Å; F236-F241 HydrophobicContact CE2-CE2 4.28Å; F236-F241 AromaticContact CE2-CG 3.74Å; F236-F241 HydrophobicContact CE2-CG 3.74Å; F236-F241 HydrophobicContact CE2-CZ 4.46Å; F236-F241 HydrophobicContact CZ-CB 4.01Å; F236-F241 AromaticContact CZ-CD1 3.41Å; F236-F241 HydrophobicContact CZ-CD1 3.41Å; F236-F241 VanDerWaalsContact CZ-CD1 3.41Å; F236-F241 HydrophobicContact CZ-CD2 4.23Å; F236-F241 AromaticContact CZ-CE1 3.92Å; F236-F241 HydrophobicContact CZ-CE1 3.92Å; F236-F241 AromaticContact CZ-CG 3.59Å; F236-F241 HydrophobicContact CZ-CG 3.59Å
237	D	97	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.7	176.6	-171.2	-77.8	0	0	0	110.6	Y114 Y146 R231 W235 K239 L240 F241	Y114-D237 PolarHBondContact OH-N 3.03Å; Y146-D237 HydrophobicContact CD1-CB 4.23Å; Y146-D237 HydrophobicContact CE1-CB 3.79Å; Y146-D237 VanDerWaalsContact CE1-CG 3.42Å; Y146-D237 VanDerWaalsContact CE1-OD2 3.3Å; Y146-D237 WeakPolarHBondContact CE1-OD2 3.33Å; Y146-D237 PolarHBondContact OH-OD2 3.2Å; Y146-D237 VanDerWaalsContact OH-OD2 3.1Å; R231-D237 HydrophobicContact CG-CB 4.37Å; R231-D237 IonicContact CZ-OD2 2.66Å; R231-D237 IonicContact NE-OD2 3.16Å; R231-D237 PolarHBondContact NE-OD2 2.97Å; R231-D237 IonicContact NH2-OD2 3.71Å; R231-D237 PolarHBondContact NH2-OD2 3.04Å; W235-D237 PolarHBondContact O-N 3.37Å; W235-D237 VanDerWaalsContact O-N 3.16Å; D237-K239 VanDerWaalsContact C-N 3.34Å; D237-K239 PolarHBondContact O-N 3.27Å; D237-K239 PolarHBondContact OD1-N 3.27Å; D237-L240 HydrophobicContact CB-CB 4.46Å; D237-L240 PolarHBondContact OD1-N 2.86Å; D237-F241 WeakPolarHBondContact O-CB 3.38Å; D237-F241 PolarHBondContact O-N 3.28Å
238	F	97.2	Very high	94.8	Very high	9 Å²	9	24.9 Å²	24.9	4%	0.039	13%	0.129	C	C	.	.	H	α-helix	trans	-64.3	-38.8	-172.1	-82.1	-110.6	0	0	0	112.5	V194 F197 P230 I232 F236 F242 F305	V194-F238 HydrophobicContact CG2-CD1 3.44Å; V194-F238 VanDerWaalsContact CG2-CD1 3.44Å; V194-F238 HydrophobicContact CG2-CE1 3.52Å; F197-F238 AromaticContact CD1-CE1 3.8Å; F197-F238 HydrophobicContact CD1-CE1 3.8Å; F197-F238 AromaticContact CD1-CZ 3.67Å; F197-F238 HydrophobicContact CD1-CZ 3.67Å; F197-F238 HydrophobicContact CE1-CE1 4.03Å; F197-F238 HydrophobicContact CE1-CE2 4.17Å; F197-F238 AromaticContact CE1-CZ 3.39Å; F197-F238 HydrophobicContact CE1-CZ 3.39Å; F197-F238 HydrophobicContact CZ-CZ 4.5Å; P230-F238 HydrophobicContact CB-CD2 4.19Å; P230-F238 HydrophobicContact CB-CG 4.46Å; P230-F238 HydrophobicContact CG-CB 4.07Å; P230-F238 HydrophobicContact CG-CG 4.34Å; P230-F238 WeakPolarHBondContact O-CD2 3.4Å; P230-F238 PolarHBondContact O-N 2.68Å; I232-F238 HydrophobicContact CD1-CE2 3.75Å; I232-F238 HydrophobicContact CD1-CZ 3.6Å; I232-F238 HydrophobicContact CG1-CE2 3.83Å; I232-F238 HydrophobicContact CG1-CZ 4.12Å; F236-F238 AromaticContact CD1-CD2 3.88Å; F236-F238 HydrophobicContact CD1-CD2 3.88Å; F236-F238 AromaticContact CD1-CE2 3.78Å; F236-F238 HydrophobicContact CD1-CE2 3.78Å; F236-F238 HydrophobicContact CD1-CZ 4.41Å; F236-F238 HydrophobicContact CE1-CD1 4.42Å; F236-F238 AromaticContact CE1-CD2 3.84Å; F236-F238 HydrophobicContact CE1-CD2 3.84Å; F236-F238 HydrophobicContact CE1-CE1 4.35Å; F236-F238 AromaticContact CE1-CE2 3.79Å; F236-F238 HydrophobicContact CE1-CE2 3.79Å; F236-F238 HydrophobicContact CE1-CG 4.18Å; F236-F238 HydrophobicContact CE1-CZ 4.04Å; F238-F242 HydrophobicContact CB-CD2 4.43Å; F238-F242 HydrophobicContact CD1-CD2 4.11Å; F238-F242 AromaticContact CD1-CE2 3.73Å; F238-F242 HydrophobicContact CD1-CE2 3.73Å; F238-F242 HydrophobicContact CE1-CE2 4.18Å; F238-F242 WeakPolarHBondContact O-CB 3.48Å; F238-F242 WeakPolarHBondContact O-CD2 3.24Å; F238-F242 PolarHBondContact O-N 3.02Å; F238-F305 HydrophobicContact CB-CD1 4.02Å; F238-F305 HydrophobicContact CB-CD2 4.47Å; F238-F305 HydrophobicContact CB-CE1 3.85Å; F238-F305 HydrophobicContact CB-CE2 4.28Å; F238-F305 HydrophobicContact CB-CG 4.32Å; F238-F305 HydrophobicContact CB-CZ 3.97Å; F238-F305 AromaticContact CD1-CE1 3.86Å; F238-F305 HydrophobicContact CD1-CE1 3.86Å; F238-F305 HydrophobicContact CD1-CZ 4.3Å; F238-F305 HydrophobicContact CG-CE1 4.25Å
239	K	96	Very high	94.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.017	13%	0.128	C	C	.	.	H	α-helix	trans	-67.6	-49.2	-177.7	-65.6	-179	175.8	172.3	0	111.5	F228 N229 D237 F241 N243 D299 I300 D303 F305 L309	F228-K239 WeakPolarHBondContact O-CE 3.35Å; F228-K239 PolarHBondContact O-NZ 3.19Å; N229-K239 VanDerWaalsContact OD1-CD 3.3Å; N229-K239 WeakPolarHBondContact OD1-CD 3.46Å; N229-K239 VanDerWaalsContact OD1-CE 3.29Å; N229-K239 WeakPolarHBondContact OD1-CE 3.34Å; N229-K239 PolarHBondContact OD1-NZ 2.93Å; D237-K239 VanDerWaalsContact C-N 3.34Å; D237-K239 PolarHBondContact O-N 3.27Å; D237-K239 PolarHBondContact OD1-N 3.27Å; K239-F241 VanDerWaalsContact C-N 3.34Å; K239-N243 WeakPolarHBondContact O-CB 3.46Å; K239-N243 PolarHBondContact O-N 3.44Å; K239-D299 WeakPolarHBondContact CD-O 3.33Å; K239-D299 WeakPolarHBondContact CE-O 3.18Å; K239-D299 PolarHBondContact NZ-O 3.37Å; K239-I300 HydrophobicContact CB-CD1 3.52Å; K239-I300 HydrophobicContact CD-CD1 4.02Å; K239-I300 HydrophobicContact CG-CD1 4.49Å; K239-I300 PolarHBondContact NZ-O 3.09Å; K239-D303 VanDerWaalsContact CE-O 3.3Å; K239-D303 WeakPolarHBondContact CE-O 3.26Å; K239-D303 PolarHBondContact NZ-O 2.63Å; K239-F305 HydrophobicContact CB-CD2 4.45Å; K239-F305 HydrophobicContact CG-CB 3.95Å; K239-F305 HydrophobicContact CG-CD2 3.64Å; K239-F305 HydrophobicContact CG-CG 4.14Å; K239-L309 HydrophobicContact CD-CD1 4.44Å; K239-L309 HydrophobicContact CG-CD1 4.33Å
240	L	96.1	Very high	95.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.3	-41.2	-179.6	-174.7	64.7	0	0	0	110.7	Y114 Y146 I148 D237 G244 E291 Y294 L295	Y114-L240 HydrophobicContact CE2-CD2 4.23Å; Y114-L240 HydrophobicContact CE2-CG 4.43Å; Y146-L240 HydrophobicContact CD1-CB 4.35Å; Y146-L240 HydrophobicContact CD1-CD2 3.65Å; Y146-L240 HydrophobicContact CE1-CB 4.39Å; Y146-L240 HydrophobicContact CE1-CD2 4.46Å; Y146-L240 HydrophobicContact CG-CD2 4.39Å; I148-L240 HydrophobicContact CD1-CD2 3.95Å; D237-L240 HydrophobicContact CB-CB 4.46Å; D237-L240 PolarHBondContact OD1-N 2.86Å; L240-G244 PolarHBondContact O-N 3.23Å; L240-G244 VanDerWaalsContact O-N 3.08Å; L240-E291 HydrophobicContact CD1-CG 4.23Å; L240-Y294 HydrophobicContact CD1-CD1 3.96Å; L240-Y294 HydrophobicContact CD1-CE1 4.46Å; L240-L295 HydrophobicContact CD1-CD2 4.45Å; L240-L295 HydrophobicContact CD2-CD2 4.33Å
241	F	97.2	Very high	95.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-61.2	179	177.8	-105	0	0	0	111.5	Q110 V111 Y114 F236 D237 K239 N243 G244 R245 P246	Q110-F241 HydrophobicContact CB-CE2 4.25Å; Q110-F241 HydrophobicContact CB-CZ 4.32Å; V111-F241 HydrophobicContact CB-CE2 4.49Å; V111-F241 HydrophobicContact CB-CZ 4.39Å; V111-F241 HydrophobicContact CG2-CE1 4.1Å; V111-F241 HydrophobicContact CG2-CE2 3.92Å; V111-F241 HydrophobicContact CG2-CZ 3.41Å; V111-F241 VanDerWaalsContact CG2-CZ 3.41Å; Y114-F241 HydrophobicContact CD1-CB 4.13Å; Y114-F241 AromaticContact CD1-CD2 3.5Å; Y114-F241 HydrophobicContact CD1-CD2 3.5Å; Y114-F241 VanDerWaalsContact CD1-CD2 3.5Å; Y114-F241 HydrophobicContact CD1-CE2 4.34Å; Y114-F241 HydrophobicContact CD1-CG 4.16Å; Y114-F241 HydrophobicContact CD2-CD2 4.4Å; Y114-F241 HydrophobicContact CE1-CB 3.83Å; Y114-F241 HydrophobicContact CE1-CD2 4.11Å; Y114-F241 HydrophobicContact CE1-CG 4.35Å; Y114-F241 AromaticContact CG-CD2 3.66Å; Y114-F241 HydrophobicContact CG-CD2 3.66Å; Y114-F241 HydrophobicContact CG-CE2 4.36Å; F236-F241 HydrophobicContact CE1-CB 4.46Å; F236-F241 HydrophobicContact CE1-CD1 4.33Å; F236-F241 HydrophobicContact CE1-CG 4.47Å; F236-F241 HydrophobicContact CE2-CB 4.25Å; F236-F241 AromaticContact CE2-CD1 3.94Å; F236-F241 HydrophobicContact CE2-CD1 3.94Å; F236-F241 AromaticContact CE2-CD2 3.92Å; F236-F241 HydrophobicContact CE2-CD2 3.92Å; F236-F241 HydrophobicContact CE2-CE1 4.29Å; F236-F241 HydrophobicContact CE2-CE2 4.28Å; F236-F241 AromaticContact CE2-CG 3.74Å; F236-F241 HydrophobicContact CE2-CG 3.74Å; F236-F241 HydrophobicContact CE2-CZ 4.46Å; F236-F241 HydrophobicContact CZ-CB 4.01Å; F236-F241 AromaticContact CZ-CD1 3.41Å; F236-F241 HydrophobicContact CZ-CD1 3.41Å; F236-F241 VanDerWaalsContact CZ-CD1 3.41Å; F236-F241 HydrophobicContact CZ-CD2 4.23Å; F236-F241 AromaticContact CZ-CE1 3.92Å; F236-F241 HydrophobicContact CZ-CE1 3.92Å; F236-F241 AromaticContact CZ-CG 3.59Å; F236-F241 HydrophobicContact CZ-CG 3.59Å; D237-F241 WeakPolarHBondContact O-CB 3.38Å; D237-F241 PolarHBondContact O-N 3.28Å; K239-F241 VanDerWaalsContact C-N 3.34Å; F241-N243 PolarHBondContact O-N 3.28Å; F241-G244 PolarHBondContact O-N 3Å; F241-R245 HydrophobicContact CD2-CB 3.88Å; F241-R245 HydrophobicContact CD2-CG 3.74Å; F241-R245 HydrophobicContact CE2-CB 3.75Å; F241-R245 HydrophobicContact CE2-CG 3.99Å; F241-R245 HydrophobicContact CZ-CB 4.44Å; F241-R245 WeakPolarHBondContact O-CB 3.49Å; F241-R245 PolarHBondContact O-N 3.47Å; F241-P246 HydrophobicContact CE1-CG 4.05Å; F241-P246 HydrophobicContact CZ-CG 4.34Å; F241-P246 VanDerWaalsContact O-CD 3.23Å; F241-P246 WeakPolarHBondContact O-CD 3.39Å
242	F	96.6	Very high	95.2	Very high	10 Å²	10	24.5 Å²	24.5	4%	0.044	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-42.5	-171.1	-82.9	-80.8	0	0	0	112.7	L190 V194 F238 P246 G247 F305 D313 C314	L190-F242 HydrophobicContact CD1-CE1 4.41Å; L190-F242 HydrophobicContact CD2-CE1 3.99Å; L190-F242 HydrophobicContact CG-CE1 4.1Å; V194-F242 HydrophobicContact CB-CE1 4.29Å; V194-F242 HydrophobicContact CB-CE2 4.17Å; V194-F242 HydrophobicContact CB-CZ 3.82Å; V194-F242 HydrophobicContact CG1-CE1 4.25Å; V194-F242 HydrophobicContact CG1-CZ 4.23Å; V194-F242 HydrophobicContact CG2-CD2 3.91Å; V194-F242 HydrophobicContact CG2-CE1 4.17Å; V194-F242 HydrophobicContact CG2-CE2 3.21Å; V194-F242 HydrophobicContact CG2-CZ 3.36Å; F238-F242 HydrophobicContact CB-CD2 4.43Å; F238-F242 HydrophobicContact CD1-CD2 4.11Å; F238-F242 AromaticContact CD1-CE2 3.73Å; F238-F242 HydrophobicContact CD1-CE2 3.73Å; F238-F242 HydrophobicContact CE1-CE2 4.18Å; F238-F242 WeakPolarHBondContact O-CB 3.48Å; F238-F242 WeakPolarHBondContact O-CD2 3.24Å; F238-F242 PolarHBondContact O-N 3.02Å; F242-P246 HydrophobicContact CD1-CG 3.93Å; F242-P246 HydrophobicContact CE1-CG 4.44Å; F242-G247 PolarHBondContact O-N 2.86Å; F242-F305 HydrophobicContact CD2-CZ 4.1Å; F242-F305 HydrophobicContact CG-CZ 4.5Å; F242-D313 HydrophobicContact CB-CB 4.12Å; F242-C314 WeakPolarHBondContact CD1-SG 3.36Å
243	N	95.3	Very high	95.4	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.08	11%	0.111	C	C	.	.	I	π-helix	trans	-62.8	-52.5	176.3	-177.5	-102.9	0	0	0	111.7	K239 F241 I248 Y294 D313	K239-N243 WeakPolarHBondContact O-CB 3.46Å; K239-N243 PolarHBondContact O-N 3.44Å; F241-N243 PolarHBondContact O-N 3.28Å; N243-I248 VanDerWaalsContact O-CG1 3.26Å; N243-I248 WeakPolarHBondContact O-CG1 3.41Å; N243-I248 PolarHBondContact O-N 3.42Å; N243-I248 WeakPolarHBondContact OD1-CD1 3.45Å; N243-Y294 HydrophobicContact CB-CE1 4.42Å; N243-Y294 PolarHBondContact ND2-OH 2.93Å; N243-Y294 WeakPolarHBondContact OD1-CE1 3.4Å; N243-Y294 VanDerWaalsContact OD1-CZ 3.23Å; N243-Y294 PolarHBondContact OD1-OH 2.87Å; N243-D313 VanDerWaalsContact CA-CG 3.43Å; N243-D313 WeakPolarHBondContact CA-OD2 3.34Å; N243-D313 WeakPolarHBondContact CB-OD2 3.22Å; N243-D313 PolarHBondContact N-OD2 3.41Å; N243-D313 PolarHBondContact ND2-OD1 3.07Å
244	G	93.3	Very high	95.7	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-74.9	-52.2	-173.4	0	0	0	0	0	113.4	L240 F241 I248 V249 F288	L240-G244 PolarHBondContact O-N 3.23Å; L240-G244 VanDerWaalsContact O-N 3.08Å; F241-G244 PolarHBondContact O-N 3Å; G244-I248 PolarHBondContact O-N 2.93Å; G244-V249 WeakPolarHBondContact O-CG2 3.39Å; G244-V249 PolarHBondContact O-N 3.22Å; G244-F288 WeakPolarHBondContact O-CZ 3.46Å
245	R	94.4	Very high	96.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-84.3	-81.2	-163.7	-53.2	-68.2	175.2	-77.6	-3.4	112.3	Q110 Y114 N149 G150 F241 G247 V249 E291	Q110-R245 HydrophobicContact CB-CB 4.09Å; Q110-R245 HydrophobicContact CG-CB 4.42Å; Y114-R245 HydrophobicContact CD2-CG 4.21Å; Y114-R245 HydrophobicContact CG-CG 4.4Å; N149-R245 PolarHBondContact OD1-NH2 2.9Å; G150-R245 VanDerWaalsContact CA-CZ 3.45Å; G150-R245 VanDerWaalsContact CA-NH2 3.29Å; G150-R245 VanDerWaalsContact N-NH2 3.19Å; F241-R245 HydrophobicContact CD2-CB 3.88Å; F241-R245 HydrophobicContact CD2-CG 3.74Å; F241-R245 HydrophobicContact CE2-CB 3.75Å; F241-R245 HydrophobicContact CE2-CG 3.99Å; F241-R245 HydrophobicContact CZ-CB 4.44Å; F241-R245 WeakPolarHBondContact O-CB 3.49Å; F241-R245 PolarHBondContact O-N 3.47Å; R245-G247 PolarHBondContact O-N 3.42Å; R245-V249 VanDerWaalsContact O-CB 3.28Å; R245-V249 WeakPolarHBondContact O-CB 3.47Å; R245-V249 PolarHBondContact O-N 3.38Å; R245-E291 IonicContact CZ-OE1 2.98Å; R245-E291 VanDerWaalsContact CZ-OE1 3.27Å; R245-E291 IonicContact NH1-OE1 2.79Å; R245-E291 PolarHBondContact NH1-OE1 2.89Å; R245-E291 IonicContact NH2-OE1 2.88Å; R245-E291 PolarHBondContact NH2-OE1 3.37Å; R245-E291 IonicContact NH2-OE2 2.89Å
246	P	92.3	Very high	96.4	Very high	2 Å²	2	8 Å²	8	1%	0.013	4%	0.041	C	C	.	.	I	π-helix	trans	-68	-16.1	-179.7	32.2	-37.1	0	0	0	113.6	F241 F242 A250	F241-P246 HydrophobicContact CE1-CG 4.05Å; F241-P246 HydrophobicContact CZ-CG 4.34Å; F241-P246 VanDerWaalsContact O-CD 3.23Å; F241-P246 WeakPolarHBondContact O-CD 3.39Å; F242-P246 HydrophobicContact CD1-CG 3.93Å; F242-P246 HydrophobicContact CE1-CG 4.44Å; P246-A250 WeakPolarHBondContact O-CB 3.36Å
247	G	92.5	Very high	96.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-85.5	-83.2	173.8	0	0	0	0	0	113.1	F242 R245 A250 W251	F242-G247 PolarHBondContact O-N 2.86Å; R245-G247 PolarHBondContact O-N 3.42Å; G247-A250 WeakPolarHBondContact O-CB 3.42Å; G247-A250 PolarHBondContact O-N 2.92Å; G247-W251 PolarHBondContact O-N 3.44Å; G247-W251 VanDerWaalsContact O-N 3.14Å
248	I	96.4	Very high	96.6	Very high	13 Å²	13	6.7 Å²	6.7	7%	0.067	4%	0.036	C	C	.	.	I	π-helix	trans	-68.5	-36.4	-170.2	-68	168.5	0	0	0	113.6	N243 G244 A250 W251 V284 F287 F288 L317	N243-I248 VanDerWaalsContact O-CG1 3.26Å; N243-I248 WeakPolarHBondContact O-CG1 3.41Å; N243-I248 PolarHBondContact O-N 3.42Å; N243-I248 WeakPolarHBondContact OD1-CD1 3.45Å; G244-I248 PolarHBondContact O-N 2.93Å; I248-A250 VanDerWaalsContact C-N 3.28Å; I248-A250 PolarHBondContact O-N 3.36Å; I248-W251 WeakPolarHBondContact O-CB 3.33Å; I248-W251 PolarHBondContact O-N 2.85Å; I248-V284 HydrophobicContact CG2-CB 4.37Å; I248-V284 HydrophobicContact CG2-CG1 3.72Å; I248-V284 HydrophobicContact CG2-CG2 4.07Å; I248-F287 HydrophobicContact CD1-CD1 3.93Å; I248-F287 HydrophobicContact CD1-CD2 4.06Å; I248-F287 HydrophobicContact CD1-CE1 3.6Å; I248-F287 HydrophobicContact CD1-CE2 3.73Å; I248-F287 HydrophobicContact CD1-CG 4.16Å; I248-F287 HydrophobicContact CD1-CZ 3.49Å; I248-F287 VanDerWaalsContact CD1-CZ 3.49Å; I248-F287 HydrophobicContact CG2-CD1 3.98Å; I248-F287 HydrophobicContact CG2-CE1 4.36Å; I248-F288 HydrophobicContact CB-CZ 4.1Å; I248-F288 HydrophobicContact CG2-CE2 3.67Å; I248-F288 HydrophobicContact CG2-CZ 3.7Å; I248-L317 HydrophobicContact CG1-CD1 3.8Å
249	V	97.5	Very high	96.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-63.8	-37.9	172.9	-175.1	0	0	0	0	110.5	W106 W154 T157 G244 R245 W251 T252 F288	W106-V249 HydrophobicContact CH2-CB 4.11Å; W106-V249 HydrophobicContact CH2-CG1 3.82Å; W106-V249 HydrophobicContact CZ2-CB 4.46Å; W154-V249 HydrophobicContact CB-CG2 4.49Å; T157-V249 HydrophobicContact CG2-CG1 3.87Å; G244-V249 WeakPolarHBondContact O-CG2 3.39Å; G244-V249 PolarHBondContact O-N 3.22Å; R245-V249 VanDerWaalsContact O-CB 3.28Å; R245-V249 WeakPolarHBondContact O-CB 3.47Å; R245-V249 PolarHBondContact O-N 3.38Å; V249-W251 VanDerWaalsContact C-N 3.28Å; V249-W251 PolarHBondContact O-N 3.49Å; V249-T252 PolarHBondContact O-OG1 3.41Å; V249-F288 HydrophobicContact CB-CZ 4.42Å; V249-F288 HydrophobicContact CG2-CE1 4.18Å; V249-F288 HydrophobicContact CG2-CE2 3.9Å; V249-F288 HydrophobicContact CG2-CZ 3.39Å
250	A	97.2	Very high	96.8	Very high	10 Å²	10	9.4 Å²	9.4	8%	0.083	5%	0.053	C	C	.	.	H	α-helix	trans	-64.9	-33	178	0	0	0	0	0	112	W106 P246 G247 I248 T252 L253 I254	W106-A250 HydrophobicContact CZ2-CB 3.77Å; P246-A250 WeakPolarHBondContact O-CB 3.36Å; G247-A250 WeakPolarHBondContact O-CB 3.42Å; G247-A250 PolarHBondContact O-N 2.92Å; I248-A250 VanDerWaalsContact C-N 3.28Å; I248-A250 PolarHBondContact O-N 3.36Å; A250-T252 PolarHBondContact O-N 3Å; A250-L253 PolarHBondContact O-N 2.87Å; A250-L253 VanDerWaalsContact O-N 3.11Å; A250-I254 HydrophobicContact CB-CD1 4.12Å; A250-I254 WeakPolarHBondContact O-CB 3.32Å; A250-I254 WeakPolarHBondContact O-CD1 3.43Å; A250-I254 WeakPolarHBondContact O-CG1 3.39Å; A250-I254 PolarHBondContact O-N 3.3Å
251	W	98.3	Very high	97	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.011	6%	0.057	C	C	.	.	H	α-helix	trans	-50.5	-55.7	179.7	-175.3	-0.7	0	0	0	112.2	G247 I248 V249 L253 I254 N255 Q280 Y283 V284 L317 Y321 T322	G247-W251 PolarHBondContact O-N 3.44Å; G247-W251 VanDerWaalsContact O-N 3.14Å; I248-W251 WeakPolarHBondContact O-CB 3.33Å; I248-W251 PolarHBondContact O-N 2.85Å; V249-W251 VanDerWaalsContact C-N 3.28Å; V249-W251 PolarHBondContact O-N 3.49Å; W251-L253 VanDerWaalsContact C-N 3.33Å; W251-L253 PolarHBondContact O-N 2.92Å; W251-I254 PolarHBondContact O-N 3.43Å; W251-N255 PolarHBondContact O-N 3.27Å; W251-N255 VanDerWaalsContact O-N 3.16Å; W251-Q280 HydrophobicContact CZ2-CB 4Å; W251-Q280 HydrophobicContact CZ2-CG 3.84Å; W251-Y283 AromaticContact CH2-CD1 3.85Å; W251-Y283 HydrophobicContact CH2-CD1 3.85Å; W251-Y283 HydrophobicContact CH2-CE1 4.22Å; W251-Y283 AromaticContact CZ3-CD1 3.7Å; W251-Y283 HydrophobicContact CZ3-CD1 3.7Å; W251-Y283 AromaticContact CZ3-CE1 3.92Å; W251-Y283 HydrophobicContact CZ3-CE1 3.92Å; W251-V284 HydrophobicContact CD2-CG2 3.82Å; W251-V284 HydrophobicContact CE3-CG2 3.38Å; W251-V284 HydrophobicContact CG-CG2 4.32Å; W251-V284 HydrophobicContact CZ3-CG2 3.82Å; W251-L317 HydrophobicContact CB-CD2 4.3Å; W251-Y321 HydrophobicContact CE3-CD2 4.25Å; W251-Y321 AromaticContact CH2-CD2 3.8Å; W251-Y321 HydrophobicContact CH2-CD2 3.8Å; W251-Y321 HydrophobicContact CZ2-CD2 4.12Å; W251-Y321 AromaticContact CZ3-CD2 3.87Å; W251-Y321 HydrophobicContact CZ3-CD2 3.87Å; W251-Y321 PolarHBondContact NE1-O 3.31Å; W251-T322 HydrophobicContact CG-CG2 4.3Å
252	T	97.9	Very high	97	Very high	9 Å²	9	10.4 Å²	10.4	6%	0.055	6%	0.057	C	C	.	.	H	α-helix	trans	-68.9	-33.2	179.9	45.7	0	0	0	0	112.3	W154 H158 V249 A250 N255 L256 V284	W154-T252 PolarHBondContact NE1-OG1 3.48Å; H158-T252 PolarHBondContact CE1-OG1 3.15Å; H158-T252 WeakPolarHBondContact NE2-CB 3.41Å; H158-T252 PolarHBondContact NE2-OG1 3.05Å; V249-T252 PolarHBondContact O-OG1 3.41Å; A250-T252 PolarHBondContact O-N 3Å; T252-N255 PolarHBondContact O-N 2.94Å; T252-L256 VanDerWaalsContact O-CG 3.3Å; T252-L256 WeakPolarHBondContact O-CG 3.25Å; T252-L256 PolarHBondContact O-N 3.38Å; T252-V284 HydrophobicContact CG2-CB 3.73Å; T252-V284 HydrophobicContact CG2-CG1 3.76Å; T252-V284 HydrophobicContact CG2-CG2 3.9Å
253	L	97.9	Very high	97.1	Very high	17 Å²	17	14.1 Å²	14.1	9%	0.089	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-39.6	177.2	-163.4	67.3	0	0	0	112.5	W106 T157 W161 I176 A250 W251 L256 S257	W106-L253 HydrophobicContact CE3-CD2 4.42Å; W106-L253 HydrophobicContact CH2-CD2 4.36Å; W106-L253 HydrophobicContact CZ3-CD2 3.96Å; T157-L253 HydrophobicContact CG2-CD2 4.4Å; W161-L253 HydrophobicContact CB-CD1 3.76Å; W161-L253 VanDerWaalsContact CD1-CD1 3.46Å; W161-L253 HydrophobicContact CD2-CD1 4.17Å; W161-L253 HydrophobicContact CG-CD1 3.51Å; I176-L253 HydrophobicContact CD1-CB 4.28Å; I176-L253 HydrophobicContact CD1-CD2 3.87Å; I176-L253 HydrophobicContact CD1-CG 3.68Å; A250-L253 PolarHBondContact O-N 2.87Å; A250-L253 VanDerWaalsContact O-N 3.11Å; W251-L253 VanDerWaalsContact C-N 3.33Å; W251-L253 PolarHBondContact O-N 2.92Å; L253-L256 PolarHBondContact O-N 2.94Å; L253-S257 PolarHBondContact O-N 3.07Å
254	I	98.7	Very high	97.3	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-49	174.3	-68.7	158.6	0	0	0	109.6	I176 W180 A250 W251 L256 S257 Y258 P318 T322	I176-I254 HydrophobicContact CG2-CG1 3.9Å; W180-I254 HydrophobicContact CH2-CD1 4.02Å; W180-I254 HydrophobicContact CH2-CG1 4.38Å; W180-I254 HydrophobicContact CH2-CG2 3.83Å; W180-I254 HydrophobicContact CZ3-CD1 3.98Å; W180-I254 HydrophobicContact CZ3-CG1 3.97Å; W180-I254 HydrophobicContact CZ3-CG2 3.81Å; A250-I254 HydrophobicContact CB-CD1 4.12Å; A250-I254 WeakPolarHBondContact O-CB 3.32Å; A250-I254 WeakPolarHBondContact O-CD1 3.43Å; A250-I254 WeakPolarHBondContact O-CG1 3.39Å; A250-I254 PolarHBondContact O-N 3.3Å; W251-I254 PolarHBondContact O-N 3.43Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.95Å; I254-S257 WeakPolarHBondContact O-CB 3.35Å; I254-S257 PolarHBondContact O-N 2.86Å; I254-S257 VanDerWaalsContact O-N 3.1Å; I254-Y258 HydrophobicContact CG2-CD1 4.42Å; I254-Y258 HydrophobicContact CG2-CD2 4.04Å; I254-Y258 HydrophobicContact CG2-CE1 3.86Å; I254-Y258 HydrophobicContact CG2-CE2 3.45Å; I254-Y258 VanDerWaalsContact CG2-CE2 3.45Å; I254-Y258 PolarHBondContact O-N 3.36Å; I254-P318 HydrophobicContact CD1-CB 3.72Å; I254-T322 HydrophobicContact CB-CG2 4.09Å; I254-T322 HydrophobicContact CD1-CG2 4.41Å; I254-T322 HydrophobicContact CG2-CG2 3.77Å
255	N	98.6	Very high	97.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-40.2	178.5	-73.4	-26.8	0	0	0	113	W251 T252 S257 Y258 M259 N277 Q280	W251-N255 PolarHBondContact O-N 3.27Å; W251-N255 VanDerWaalsContact O-N 3.16Å; T252-N255 PolarHBondContact O-N 2.94Å; N255-S257 VanDerWaalsContact C-N 3.3Å; N255-S257 PolarHBondContact O-N 3.18Å; N255-Y258 WeakPolarHBondContact O-CB 3.32Å; N255-Y258 PolarHBondContact O-N 3.06Å; N255-M259 WeakPolarHBondContact O-CB 3.48Å; N255-M259 PolarHBondContact O-N 2.9Å; N255-N277 VanDerWaalsContact C-OD1 3.24Å; N255-N277 WeakPolarHBondContact CB-OD1 3.26Å; N255-N277 PolarHBondContact O-OD1 3.25Å; N255-Q280 PolarHBondContact ND2-OE1 3.45Å
256	L	98.6	Very high	97.7	Very high	38 Å²	38	26.9 Å²	26.9	20%	0.199	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-37.5	174.9	-71.8	175.6	0	0	0	111.7	W161 T252 L253 I254 M259 A260 N277	W161-L256 HydrophobicContact CE3-CD1 4.13Å; W161-L256 HydrophobicContact CH2-CB 3.83Å; W161-L256 HydrophobicContact CZ2-CB 4.02Å; W161-L256 HydrophobicContact CZ3-CB 4.14Å; W161-L256 HydrophobicContact CZ3-CD1 4.13Å; T252-L256 VanDerWaalsContact O-CG 3.3Å; T252-L256 WeakPolarHBondContact O-CG 3.25Å; T252-L256 PolarHBondContact O-N 3.38Å; L253-L256 PolarHBondContact O-N 2.94Å; I254-L256 VanDerWaalsContact C-N 3.34Å; I254-L256 PolarHBondContact O-N 2.95Å; L256-M259 HydrophobicContact CD2-CE 3.63Å; L256-M259 PolarHBondContact O-N 3.29Å; L256-A260 WeakPolarHBondContact O-CB 3.23Å; L256-A260 PolarHBondContact O-N 3.36Å; L256-N277 PolarHBondContact N-OD1 3.48Å
257	S	98.8	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-37.9	174.7	-159	0	0	0	0	112.1	P173 T174 I176 F177 L253 I254 N255 A260 K261	P173-S257 WeakPolarHBondContact O-CA 3.5Å; P173-S257 WeakPolarHBondContact O-CB 3.47Å; P173-S257 PolarHBondContact O-OG 3.41Å; T174-S257 VanDerWaalsContact C-OG 3.24Å; T174-S257 VanDerWaalsContact CA-OG 3.32Å; T174-S257 WeakPolarHBondContact CA-OG 3.34Å; T174-S257 PolarHBondContact O-OG 2.95Å; I176-S257 WeakPolarHBondContact CB-OG 3.29Å; I176-S257 PolarHBondContact N-OG 3.28Å; F177-S257 PolarHBondContact N-OG 3.07Å; L253-S257 PolarHBondContact O-N 3.07Å; I254-S257 WeakPolarHBondContact O-CB 3.35Å; I254-S257 PolarHBondContact O-N 2.86Å; I254-S257 VanDerWaalsContact O-N 3.1Å; N255-S257 VanDerWaalsContact C-N 3.3Å; N255-S257 PolarHBondContact O-N 3.18Å; S257-A260 PolarHBondContact O-N 3.5Å; S257-K261 WeakPolarHBondContact O-CB 3.31Å; S257-K261 PolarHBondContact O-N 3.08Å
258	Y	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-44.4	172.3	-65	-16.5	0	0	0	112.4	F177 W180 I254 N255 A260 K261 Q262 L326 V329	F177-Y258 HydrophobicContact CB-CD1 4.02Å; F177-Y258 HydrophobicContact CB-CE1 4.26Å; F177-Y258 AromaticContact CD2-CD1 3.55Å; F177-Y258 HydrophobicContact CD2-CD1 3.55Å; F177-Y258 AromaticContact CD2-CE1 3.67Å; F177-Y258 HydrophobicContact CD2-CE1 3.67Å; F177-Y258 HydrophobicContact CG-CD1 4.25Å; F177-Y258 HydrophobicContact CG-CE1 4.44Å; W180-Y258 HydrophobicContact CD2-CE1 4.47Å; W180-Y258 VanDerWaalsContact CH2-OH 3.3Å; W180-Y258 WeakPolarHBondContact CH2-OH 3.34Å; W180-Y258 WeakPolarHBondContact CZ2-OH 3.21Å; W180-Y258 PolarHBondContact NE1-OH 3.37Å; I254-Y258 HydrophobicContact CG2-CD1 4.42Å; I254-Y258 HydrophobicContact CG2-CD2 4.04Å; I254-Y258 HydrophobicContact CG2-CE1 3.86Å; I254-Y258 HydrophobicContact CG2-CE2 3.45Å; I254-Y258 VanDerWaalsContact CG2-CE2 3.45Å; I254-Y258 PolarHBondContact O-N 3.36Å; N255-Y258 WeakPolarHBondContact O-CB 3.32Å; N255-Y258 PolarHBondContact O-N 3.06Å; Y258-A260 VanDerWaalsContact C-N 3.34Å; Y258-A260 PolarHBondContact O-N 3.47Å; Y258-K261 PolarHBondContact O-N 3.33Å; Y258-K261 VanDerWaalsContact O-N 3.16Å; Y258-Q262 PolarHBondContact O-N 3.03Å; Y258-L326 HydrophobicContact CD2-CB 4.47Å; Y258-L326 VanDerWaalsContact CD2-N 3.29Å; Y258-L326 HydrophobicContact CE1-CD1 4.12Å; Y258-L326 HydrophobicContact CE2-CB 3.74Å; Y258-L326 VanDerWaalsContact CE2-N 3.3Å; Y258-V329 HydrophobicContact CD1-CG2 4.4Å; Y258-V329 HydrophobicContact CG-CG2 4.15Å; Y258-V329 WeakPolarHBondContact O-CG2 3.2Å
259	M	98.7	Very high	98.3	Very high	49 Å²	49	35.2 Å²	35.2	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-44.7	175.2	-175.8	176.8	67.9	0	0	111.3	N255 L256 K261 Q262 Q263 V269 M273	N255-M259 WeakPolarHBondContact O-CB 3.48Å; N255-M259 PolarHBondContact O-N 2.9Å; L256-M259 HydrophobicContact CD2-CE 3.63Å; L256-M259 PolarHBondContact O-N 3.29Å; M259-K261 VanDerWaalsContact C-N 3.3Å; M259-K261 PolarHBondContact O-N 2.88Å; M259-Q262 PolarHBondContact O-N 2.85Å; M259-Q263 PolarHBondContact O-N 3.46Å; M259-V269 HydrophobicContact CG-CB 4.42Å; M259-V269 HydrophobicContact CG-CG1 3.63Å; M259-V269 HydrophobicContact CG-CG2 3.86Å; M259-V269 HydrophobicContact SD-CG1 4.21Å; M259-M273 HydrophobicContact CB-CG 3.89Å; M259-M273 HydrophobicContact CB-SD 4.26Å; M259-M273 HydrophobicContact CG-CG 3.89Å
260	A	98.7	Very high	98.3	Very high	21 Å²	21	35.3 Å²	35.3	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-38.6	174.4	0	0	0	0	0	111.9	P173 T174 L256 S257 Y258 Q263 E264	P173-A260 HydrophobicContact CB-CB 3.81Å; T174-A260 HydrophobicContact CG2-CB 4.03Å; L256-A260 WeakPolarHBondContact O-CB 3.23Å; L256-A260 PolarHBondContact O-N 3.36Å; S257-A260 PolarHBondContact O-N 3.5Å; Y258-A260 VanDerWaalsContact C-N 3.34Å; Y258-A260 PolarHBondContact O-N 3.47Å; A260-Q263 WeakPolarHBondContact O-CB 3.14Å; A260-Q263 PolarHBondContact O-N 3.45Å; A260-E264 PolarHBondContact O-N 2.75Å
261	K	98.8	Very high	98.4	Very high	22 Å²	22	36.2 Å²	36.2	10%	0.096	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-39.8	176.8	-169.6	72.7	-178.8	179	0	112.1	T174 F177 D178 S257 Y258 M259 Q263 E264 L265 V329	T174-K261 HydrophobicContact CG2-CB 4.05Å; T174-K261 HydrophobicContact CG2-CD 3.9Å; F177-K261 HydrophobicContact CB-CB 4.16Å; F177-K261 HydrophobicContact CB-CG 4.32Å; F177-K261 HydrophobicContact CD1-CB 4.14Å; F177-K261 HydrophobicContact CD1-CD 3.53Å; F177-K261 HydrophobicContact CD1-CG 3.38Å; F177-K261 HydrophobicContact CD2-CB 4.47Å; F177-K261 HydrophobicContact CD2-CG 4.32Å; F177-K261 HydrophobicContact CE1-CD 3.99Å; F177-K261 HydrophobicContact CE1-CG 3.66Å; F177-K261 HydrophobicContact CG-CB 3.98Å; F177-K261 HydrophobicContact CG-CD 4.21Å; F177-K261 HydrophobicContact CG-CG 3.74Å; F177-K261 HydrophobicContact CZ-CG 4.24Å; D178-K261 WeakPolarHBondContact OD1-CE 3.34Å; D178-K261 IonicContact OD1-NZ 2.72Å; D178-K261 PolarHBondContact OD1-NZ 3.19Å; S257-K261 WeakPolarHBondContact O-CB 3.31Å; S257-K261 PolarHBondContact O-N 3.08Å; Y258-K261 PolarHBondContact O-N 3.33Å; Y258-K261 VanDerWaalsContact O-N 3.16Å; M259-K261 VanDerWaalsContact C-N 3.3Å; M259-K261 PolarHBondContact O-N 2.88Å; K261-Q263 VanDerWaalsContact C-N 3.31Å; K261-Q263 PolarHBondContact O-N 3.16Å; K261-E264 IonicContact NZ-OE1 3.94Å; K261-E264 PolarHBondContact NZ-OE1 3.07Å; K261-E264 PolarHBondContact O-N 3.22Å; K261-L265 HydrophobicContact CD-CG 4.43Å; K261-L265 HydrophobicContact CG-CD1 3.92Å; K261-L265 HydrophobicContact CG-CG 4.2Å; K261-L265 WeakPolarHBondContact O-CB 3.46Å; K261-L265 WeakPolarHBondContact O-CG 3.46Å; K261-L265 PolarHBondContact O-N 3.22Å; K261-V329 HydrophobicContact CB-CG1 4.18Å; K261-V329 HydrophobicContact CG-CG1 3.79Å
262	Q	98.6	Very high	98.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-43	174.4	-167.8	-178.1	72.7	0	0	110.8	Y258 M259 E264 L265 Y266 T270 M273 L328	Y258-Q262 PolarHBondContact O-N 3.03Å; M259-Q262 PolarHBondContact O-N 2.85Å; Q262-E264 PolarHBondContact O-N 3.43Å; Q262-L265 PolarHBondContact O-N 2.65Å; Q262-Y266 HydrophobicContact CB-CD2 4.5Å; Q262-Y266 HydrophobicContact CG-CD2 3.69Å; Q262-Y266 HydrophobicContact CG-CE2 4.13Å; Q262-Y266 VanDerWaalsContact O-CD2 3.31Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.36Å; Q262-Y266 PolarHBondContact O-N 2.89Å; Q262-T270 PolarHBondContact NE2-OG1 3.4Å; Q262-T270 VanDerWaalsContact NE2-OG1 3.12Å; Q262-T270 PolarHBondContact OE1-OG1 3.27Å; Q262-M273 HydrophobicContact CB-CE 4.15Å; Q262-M273 VanDerWaalsContact OE1-CB 3.26Å; Q262-L328 PolarHBondContact NE2-O 3.02Å
263	Q	98.3	Very high	98.4	Very high	88 Å²	88	35.7 Å²	35.7	41%	0.411	19%	0.189	S	C	.	.	H	α-helix	trans	-60.7	-42.6	173.8	-178.8	60.7	42.5	0	0	112.3	M259 A260 K261 G267 H268 V269	M259-Q263 PolarHBondContact O-N 3.46Å; A260-Q263 WeakPolarHBondContact O-CB 3.14Å; A260-Q263 PolarHBondContact O-N 3.45Å; K261-Q263 VanDerWaalsContact C-N 3.31Å; K261-Q263 PolarHBondContact O-N 3.16Å; Q263-G267 PolarHBondContact NE2-O 3.27Å; Q263-G267 WeakPolarHBondContact O-CA 3.47Å; Q263-G267 PolarHBondContact O-N 3.49Å; Q263-H268 VanDerWaalsContact OE1-C 3.29Å; Q263-V269 HydrophobicContact CB-CG2 3.82Å
264	E	98.4	Very high	98.5	Very high	107 Å²	107	38.8 Å²	38.8	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-45.5	177.8	-176.5	-172	115.1	0	0	112.2	T174 A260 K261 Q262	T174-E264 HydrophobicContact CG2-CB 4.43Å; T174-E264 VanDerWaalsContact CG2-OE2 3.24Å; T174-E264 WeakPolarHBondContact CG2-OE2 3.36Å; T174-E264 PolarHBondContact OG1-OE2 3.44Å; A260-E264 PolarHBondContact O-N 2.75Å; K261-E264 IonicContact NZ-OE1 3.94Å; K261-E264 PolarHBondContact NZ-OE1 3.07Å; K261-E264 PolarHBondContact O-N 3.22Å; Q262-E264 PolarHBondContact O-N 3.43Å
265	L	98.3	Very high	98.5	Very high	89 Å²	89	39.3 Å²	39.3	47%	0.466	21%	0.208	S	C	.	.	H	α-helix	trans	-75	-39.1	-174.9	-69.5	175.7	0	0	0	113.2	K261 Q262 V329	K261-L265 HydrophobicContact CD-CG 4.43Å; K261-L265 HydrophobicContact CG-CD1 3.92Å; K261-L265 HydrophobicContact CG-CG 4.2Å; K261-L265 WeakPolarHBondContact O-CB 3.46Å; K261-L265 WeakPolarHBondContact O-CG 3.46Å; K261-L265 PolarHBondContact O-N 3.22Å; Q262-L265 PolarHBondContact O-N 2.65Å; L265-V329 HydrophobicContact CD1-CG1 3.83Å
266	Y	98.1	Very high	98.5	Very high	87 Å²	87	39.3 Å²	39.3	34%	0.341	21%	0.208	S	C	.	.	H	α-helix	trans	-116.1	-2.7	-169.9	-52.1	-73.6	0	0	0	113.9	Q262 H268 V329 P332	Q262-Y266 HydrophobicContact CB-CD2 4.5Å; Q262-Y266 HydrophobicContact CG-CD2 3.69Å; Q262-Y266 HydrophobicContact CG-CE2 4.13Å; Q262-Y266 VanDerWaalsContact O-CD2 3.31Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.36Å; Q262-Y266 PolarHBondContact O-N 2.89Å; Y266-H268 PolarHBondContact O-N 2.65Å; Y266-H268 PolarHBondContact O-ND1 2.9Å; Y266-V329 WeakPolarHBondContact CE2-O 3.27Å; Y266-V329 PolarHBondContact OH-O 2.95Å; Y266-P332 HydrophobicContact CD1-CG 4.23Å; Y266-P332 HydrophobicContact CD2-CB 4.29Å; Y266-P332 HydrophobicContact CD2-CG 4.25Å; Y266-P332 HydrophobicContact CE1-CG 3.93Å; Y266-P332 HydrophobicContact CE2-CB 4.25Å; Y266-P332 HydrophobicContact CE2-CG 3.97Å; Y266-P332 HydrophobicContact CG-CG 4.38Å
267	G	97.9	Very high	98.5	Very high	54 Å²	54	38.6 Å²	38.6	56%	0.557	20%	0.204	S	C	*	.	S	Bend	trans	70.9	3.8	-177.7	0	0	0	0	0	114.6	Q263	Q263-G267 PolarHBondContact NE2-O 3.27Å; Q263-G267 WeakPolarHBondContact O-CA 3.47Å; Q263-G267 PolarHBondContact O-N 3.49Å
268	H	97.4	Very high	98.5	Very high	98 Å²	98	41.8 Å²	41.8	45%	0.454	22%	0.224	S	C	.	.	S	Bend	trans	-152.9	158.6	177.5	65.1	-78.5	0	0	0	111.3	Q263 Y266	Q263-H268 VanDerWaalsContact OE1-C 3.29Å; Y266-H268 PolarHBondContact O-N 2.65Å; Y266-H268 PolarHBondContact O-ND1 2.9Å
269	V	98.5	Very high	98.4	Very high	38 Å²	38	42.1 Å²	42.1	23%	0.23	23%	0.225	C	C	.	.			trans	-105	129.1	170.6	-177.5	0	0	0	0	109.4	M259 Q263 M273 I274	M259-V269 HydrophobicContact CG-CB 4.42Å; M259-V269 HydrophobicContact CG-CG1 3.63Å; M259-V269 HydrophobicContact CG-CG2 3.86Å; M259-V269 HydrophobicContact SD-CG1 4.21Å; Q263-V269 HydrophobicContact CB-CG2 3.82Å; V269-M273 HydrophobicContact CG1-CB 3.82Å; V269-M273 HydrophobicContact CG1-CG 3.8Å; V269-I274 HydrophobicContact CG1-CD1 4.33Å; V269-I274 HydrophobicContact CG1-CG1 3.78Å
270	T	98.7	Very high	98.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	21%	0.214	C	C	.	.			trans	-71	153.3	177.4	55.5	0	0	0	0	112.5	Q262 S272 M273 I274 P332 V333	Q262-T270 PolarHBondContact NE2-OG1 3.4Å; Q262-T270 VanDerWaalsContact NE2-OG1 3.12Å; Q262-T270 PolarHBondContact OE1-OG1 3.27Å; T270-S272 PolarHBondContact O-N 3.47Å; T270-S272 PolarHBondContact OG1-OG 3.36Å; T270-M273 PolarHBondContact O-N 3.47Å; T270-M273 WeakPolarHBondContact OG1-CB 3.4Å; T270-M273 PolarHBondContact OG1-N 2.82Å; T270-I274 PolarHBondContact O-N 3.19Å; T270-P332 HydrophobicContact CG2-CB 3.72Å; T270-V333 WeakPolarHBondContact CB-O 3.14Å
271	N	98.4	Very high	98.4	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.16	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-29.8	176.9	65.9	0.7	0	0	0	112.9	I274 L275 Q334 L335	N271-I274 PolarHBondContact O-N 2.87Å; N271-L275 WeakPolarHBondContact O-CB 3.29Å; N271-L275 WeakPolarHBondContact O-CG 3.44Å; N271-L275 PolarHBondContact O-N 3.27Å; N271-Q334 VanDerWaalsContact N-OE1 3.07Å; N271-Q334 PolarHBondContact ND2-NE2 3.24Å; N271-L335 PolarHBondContact ND2-O 3.49Å; N271-L335 PolarHBondContact OD1-N 2.9Å
272	S	98.5	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-45	174.5	57.7	0	0	0	0	112	T270 I274 L275 V276 L328 V333 A424	T270-S272 PolarHBondContact O-N 3.47Å; T270-S272 PolarHBondContact OG1-OG 3.36Å; S272-I274 VanDerWaalsContact C-N 3.31Å; S272-I274 PolarHBondContact O-N 2.85Å; S272-L275 PolarHBondContact O-N 2.85Å; S272-V276 WeakPolarHBondContact O-CG2 3.5Å; S272-V276 PolarHBondContact O-N 3.25Å; S272-L328 WeakPolarHBondContact OG-CD2 3.36Å; S272-V333 VanDerWaalsContact CB-O 3.25Å; S272-V333 WeakPolarHBondContact CB-O 3.18Å; S272-V333 PolarHBondContact OG-O 2.77Å; S272-A424 WeakPolarHBondContact CB-O 3.4Å
273	M	98.8	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-41.7	178	179.6	64.4	82.8	0	0	110.9	M259 Q262 V269 T270 N277 G325 L328 V329	M259-M273 HydrophobicContact CB-CG 3.89Å; M259-M273 HydrophobicContact CB-SD 4.26Å; M259-M273 HydrophobicContact CG-CG 3.89Å; Q262-M273 HydrophobicContact CB-CE 4.15Å; Q262-M273 VanDerWaalsContact OE1-CB 3.26Å; V269-M273 HydrophobicContact CG1-CB 3.82Å; V269-M273 HydrophobicContact CG1-CG 3.8Å; T270-M273 PolarHBondContact O-N 3.47Å; T270-M273 WeakPolarHBondContact OG1-CB 3.4Å; T270-M273 PolarHBondContact OG1-N 2.82Å; M273-N277 WeakPolarHBondContact O-CB 3.47Å; M273-N277 PolarHBondContact O-N 3.47Å; M273-N277 PolarHBondContact O-ND2 3.07Å; M273-N277 PolarHBondContact SD-ND2 3.12Å; M273-G325 WeakPolarHBondContact CE-O 3.37Å; M273-L328 HydrophobicContact CB-CD1 4.33Å; M273-L328 HydrophobicContact CE-CB 3.56Å; M273-L328 HydrophobicContact SD-CB 4.35Å; M273-V329 HydrophobicContact CE-CG2 3.92Å
274	I	98.6	Very high	98.3	Very high	83 Å²	83	39 Å²	39	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-62.1	-47.8	174.4	-63.6	170.4	0	0	0	110.3	V269 T270 N271 S272 V276 N277 V278	V269-I274 HydrophobicContact CG1-CD1 4.33Å; V269-I274 HydrophobicContact CG1-CG1 3.78Å; T270-I274 PolarHBondContact O-N 3.19Å; N271-I274 PolarHBondContact O-N 2.87Å; S272-I274 VanDerWaalsContact C-N 3.31Å; S272-I274 PolarHBondContact O-N 2.85Å; I274-V276 PolarHBondContact O-N 3.46Å; I274-N277 PolarHBondContact O-N 3.25Å; I274-V278 HydrophobicContact CG2-CG2 4.1Å; I274-V278 WeakPolarHBondContact O-CB 3.33Å; I274-V278 VanDerWaalsContact O-CG2 3.3Å; I274-V278 WeakPolarHBondContact O-CG2 3.44Å; I274-V278 PolarHBondContact O-N 2.87Å
275	L	98.4	Very high	98.3	Very high	19 Å²	19	37 Å²	37	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-46	179.2	-78.4	173.3	0	0	0	112.4	N271 S272 V278 L279 L335 A340 V343 L344 A424	N271-L275 WeakPolarHBondContact O-CB 3.29Å; N271-L275 WeakPolarHBondContact O-CG 3.44Å; N271-L275 PolarHBondContact O-N 3.27Å; S272-L275 PolarHBondContact O-N 2.85Å; L275-V278 PolarHBondContact O-N 2.89Å; L275-L279 WeakPolarHBondContact O-CB 3.48Å; L275-L279 VanDerWaalsContact O-CG 3.26Å; L275-L279 WeakPolarHBondContact O-CG 2.97Å; L275-L279 PolarHBondContact O-N 3.31Å; L275-L335 HydrophobicContact CD1-CD1 4.07Å; L275-A340 HydrophobicContact CD1-CB 3.91Å; L275-V343 HydrophobicContact CD1-CG1 4.37Å; L275-L344 HydrophobicContact CD2-CB 3.94Å; L275-L344 HydrophobicContact CD2-CD1 4.02Å; L275-L344 HydrophobicContact CD2-CG 4.43Å; L275-A424 HydrophobicContact CB-CB 4.44Å
276	V	98.6	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-49.2	176.4	171.4	0	0	0	0	110.6	S272 I274 V278 L279 Q280 Q324 L328 A424	S272-V276 WeakPolarHBondContact O-CG2 3.5Å; S272-V276 PolarHBondContact O-N 3.25Å; I274-V276 PolarHBondContact O-N 3.46Å; V276-V278 PolarHBondContact O-N 3.37Å; V276-L279 PolarHBondContact O-N 2.84Å; V276-Q280 HydrophobicContact CG1-CG 4.37Å; V276-Q280 VanDerWaalsContact O-CB 3.31Å; V276-Q280 WeakPolarHBondContact O-CB 3.29Å; V276-Q280 WeakPolarHBondContact O-CG 3.41Å; V276-Q280 PolarHBondContact O-N 2.8Å; V276-Q324 HydrophobicContact CG1-CB 3.97Å; V276-Q324 HydrophobicContact CG2-CB 4.08Å; V276-L328 HydrophobicContact CB-CD1 4.49Å; V276-L328 HydrophobicContact CG2-CD1 3.81Å; V276-A424 HydrophobicContact CG2-CB 3.57Å
277	N	98.6	Very high	98.1	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.123	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-43.4	-179.8	-87.1	-95.8	0	0	0	112.3	N255 L256 M273 I274 G281	N255-N277 VanDerWaalsContact C-OD1 3.24Å; N255-N277 WeakPolarHBondContact CB-OD1 3.26Å; N255-N277 PolarHBondContact O-OD1 3.25Å; L256-N277 PolarHBondContact N-OD1 3.48Å; M273-N277 WeakPolarHBondContact O-CB 3.47Å; M273-N277 PolarHBondContact O-N 3.47Å; M273-N277 PolarHBondContact O-ND2 3.07Å; M273-N277 PolarHBondContact SD-ND2 3.12Å; I274-N277 PolarHBondContact O-N 3.25Å; N277-G281 WeakPolarHBondContact O-CA 3.42Å; N277-G281 PolarHBondContact O-N 3.28Å
278	V	98.6	Very high	98	Very high	68 Å²	68	28.1 Å²	28.1	41%	0.412	15%	0.146	S	C	.	.	H	α-helix	trans	-66.6	-50.1	179.3	168.4	0	0	0	0	110.9	I274 L275 V276 G281 I282	I274-V278 HydrophobicContact CG2-CG2 4.1Å; I274-V278 WeakPolarHBondContact O-CB 3.33Å; I274-V278 VanDerWaalsContact O-CG2 3.3Å; I274-V278 WeakPolarHBondContact O-CG2 3.44Å; I274-V278 PolarHBondContact O-N 2.87Å; L275-V278 PolarHBondContact O-N 2.89Å; V276-V278 PolarHBondContact O-N 3.37Å; V278-G281 PolarHBondContact O-N 3.38Å; V278-I282 HydrophobicContact CG1-CD1 3.97Å; V278-I282 VanDerWaalsContact O-CG1 3.29Å; V278-I282 WeakPolarHBondContact O-CG1 3.32Å; V278-I282 PolarHBondContact O-N 3.48Å
279	L	98.5	Very high	97.9	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-44.3	-175.8	-68.5	175.8	0	0	0	111.8	L275 V276 I282 Y283 V343 L344 A420 Y421	L275-L279 WeakPolarHBondContact O-CB 3.48Å; L275-L279 VanDerWaalsContact O-CG 3.26Å; L275-L279 WeakPolarHBondContact O-CG 2.97Å; L275-L279 PolarHBondContact O-N 3.31Å; V276-L279 PolarHBondContact O-N 2.84Å; L279-I282 PolarHBondContact O-N 2.83Å; L279-Y283 PolarHBondContact O-N 3.19Å; L279-V343 HydrophobicContact CD1-CG1 4.26Å; L279-L344 HydrophobicContact CD2-CD1 4.19Å; L279-A420 HydrophobicContact CD1-CB 4.02Å; L279-Y421 HydrophobicContact CB-CD1 3.84Å; L279-Y421 HydrophobicContact CB-CE1 3.63Å; L279-Y421 HydrophobicContact CD1-CD1 4.45Å
280	Q	98.5	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-35.4	174.5	-65.4	-173.4	-10	0	0	111.6	W251 N255 V276 Y283 V284 Y321 Y421	W251-Q280 HydrophobicContact CZ2-CB 4Å; W251-Q280 HydrophobicContact CZ2-CG 3.84Å; N255-Q280 PolarHBondContact ND2-OE1 3.45Å; V276-Q280 HydrophobicContact CG1-CG 4.37Å; V276-Q280 VanDerWaalsContact O-CB 3.31Å; V276-Q280 WeakPolarHBondContact O-CB 3.29Å; V276-Q280 WeakPolarHBondContact O-CG 3.41Å; V276-Q280 PolarHBondContact O-N 2.8Å; Q280-Y283 WeakPolarHBondContact O-CB 3.34Å; Q280-Y283 PolarHBondContact O-N 3.47Å; Q280-V284 WeakPolarHBondContact O-CG2 3.3Å; Q280-V284 PolarHBondContact O-N 3.1Å; Q280-Y321 PolarHBondContact NE2-O 3.47Å; Q280-Y321 VanDerWaalsContact NE2-O 3.14Å; Q280-Y421 HydrophobicContact CG-CD1 3.89Å; Q280-Y421 HydrophobicContact CG-CD2 3.89Å; Q280-Y421 HydrophobicContact CG-CE1 3.93Å; Q280-Y421 HydrophobicContact CG-CE2 3.91Å; Q280-Y421 HydrophobicContact CG-CG 3.9Å
281	G	98.3	Very high	97.5	Very high	12 Å²	12	28.4 Å²	28.4	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-43.1	174.4	0	0	0	0	0	113.1	N277 V278 Y283 V284 L285	N277-G281 WeakPolarHBondContact O-CA 3.42Å; N277-G281 PolarHBondContact O-N 3.28Å; V278-G281 PolarHBondContact O-N 3.38Å; G281-Y283 VanDerWaalsContact C-N 3.32Å; G281-Y283 PolarHBondContact O-N 2.94Å; G281-V284 PolarHBondContact O-N 3.49Å; G281-L285 WeakPolarHBondContact O-CB 3.47Å; G281-L285 WeakPolarHBondContact O-CG 3.4Å; G281-L285 PolarHBondContact O-N 3.44Å
282	I	98.1	Very high	97.3	Very high	50 Å²	50	27.7 Å²	27.7	26%	0.256	14%	0.14	S	C	.	.	H	α-helix	trans	-57.8	-47	173	-71.4	164.4	0	0	0	110.1	V278 L279 D286 L348 Y351	V278-I282 HydrophobicContact CG1-CD1 3.97Å; V278-I282 VanDerWaalsContact O-CG1 3.29Å; V278-I282 WeakPolarHBondContact O-CG1 3.32Å; V278-I282 PolarHBondContact O-N 3.48Å; L279-I282 PolarHBondContact O-N 2.83Å; I282-D286 WeakPolarHBondContact O-CB 3.44Å; I282-D286 PolarHBondContact O-N 2.97Å; I282-L348 HydrophobicContact CD1-CD2 3.93Å; I282-Y351 HydrophobicContact CG2-CD1 4.05Å; I282-Y351 HydrophobicContact CG2-CD2 3.76Å; I282-Y351 HydrophobicContact CG2-CE1 4.08Å; I282-Y351 HydrophobicContact CG2-CE2 3.8Å; I282-Y351 HydrophobicContact CG2-CG 3.89Å
283	Y	97.3	Very high	96.8	Very high	54 Å²	54	31 Å²	31	21%	0.212	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-45.7	179.5	-174.7	-85.1	0	0	0	112.4	W251 L279 Q280 G281 D286 F287 D414 Y421	W251-Y283 AromaticContact CH2-CD1 3.85Å; W251-Y283 HydrophobicContact CH2-CD1 3.85Å; W251-Y283 HydrophobicContact CH2-CE1 4.22Å; W251-Y283 AromaticContact CZ3-CD1 3.7Å; W251-Y283 HydrophobicContact CZ3-CD1 3.7Å; W251-Y283 AromaticContact CZ3-CE1 3.92Å; W251-Y283 HydrophobicContact CZ3-CE1 3.92Å; L279-Y283 PolarHBondContact O-N 3.19Å; Q280-Y283 WeakPolarHBondContact O-CB 3.34Å; Q280-Y283 PolarHBondContact O-N 3.47Å; G281-Y283 VanDerWaalsContact C-N 3.32Å; G281-Y283 PolarHBondContact O-N 2.94Å; Y283-D286 PolarHBondContact O-N 3.06Å; Y283-F287 PolarHBondContact O-N 3.44Å; Y283-D414 WeakPolarHBondContact CE2-OD1 3.14Å; Y283-Y421 WeakPolarHBondContact CB-OH 3.49Å
284	V	97.9	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-42.9	179.7	168.4	0	0	0	0	112.2	I248 W251 T252 Q280 G281 D286 F287 F288	I248-V284 HydrophobicContact CG2-CB 4.37Å; I248-V284 HydrophobicContact CG2-CG1 3.72Å; I248-V284 HydrophobicContact CG2-CG2 4.07Å; W251-V284 HydrophobicContact CD2-CG2 3.82Å; W251-V284 HydrophobicContact CE3-CG2 3.38Å; W251-V284 HydrophobicContact CG-CG2 4.32Å; W251-V284 HydrophobicContact CZ3-CG2 3.82Å; T252-V284 HydrophobicContact CG2-CB 3.73Å; T252-V284 HydrophobicContact CG2-CG1 3.76Å; T252-V284 HydrophobicContact CG2-CG2 3.9Å; Q280-V284 WeakPolarHBondContact O-CG2 3.3Å; Q280-V284 PolarHBondContact O-N 3.1Å; G281-V284 PolarHBondContact O-N 3.49Å; V284-D286 VanDerWaalsContact C-N 3.32Å; V284-D286 PolarHBondContact O-N 3.27Å; V284-F287 WeakPolarHBondContact O-CB 3.42Å; V284-F287 PolarHBondContact O-N 3.11Å; V284-F288 HydrophobicContact CG1-CD2 3.87Å; V284-F288 HydrophobicContact CG1-CE2 3.63Å; V284-F288 VanDerWaalsContact O-CD2 3.3Å; V284-F288 WeakPolarHBondContact O-CD2 3.43Å; V284-F288 PolarHBondContact O-N 3.15Å; V284-F288 VanDerWaalsContact O-N 3.07Å
285	L	97.4	Very high	96.1	Very high	66 Å²	66	28 Å²	28	35%	0.346	14%	0.137	S	C	.	.	H	α-helix	trans	-63.9	-40.3	175.5	-79.5	171.8	0	0	0	111.7	L151 W154 G281 F287 F288 W289	L151-L285 HydrophobicContact CD1-CD2 4.29Å; W154-L285 HydrophobicContact CD2-CD2 3.83Å; W154-L285 HydrophobicContact CE3-CD2 3.59Å; W154-L285 HydrophobicContact CH2-CD1 4.2Å; W154-L285 HydrophobicContact CH2-CD2 3.67Å; W154-L285 HydrophobicContact CH2-CG 4.14Å; W154-L285 HydrophobicContact CZ2-CD1 4.48Å; W154-L285 HydrophobicContact CZ2-CD2 3.86Å; W154-L285 HydrophobicContact CZ2-CG 4.09Å; W154-L285 HydrophobicContact CZ3-CD2 3.53Å; W154-L285 HydrophobicContact CZ3-CG 4.48Å; G281-L285 WeakPolarHBondContact O-CB 3.47Å; G281-L285 WeakPolarHBondContact O-CG 3.4Å; G281-L285 PolarHBondContact O-N 3.44Å; L285-F287 VanDerWaalsContact C-N 3.32Å; L285-F287 PolarHBondContact O-N 3.39Å; L285-F288 PolarHBondContact O-N 2.97Å; L285-W289 WeakPolarHBondContact O-CB 3.3Å; L285-W289 PolarHBondContact O-N 2.94Å
286	D	96.4	Very high	95.6	Very high	11 Å²	11	32.9 Å²	32.9	6%	0.059	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-37.8	175.2	-178.1	75.2	0	0	0	112.2	I282 Y283 V284 N290 Y351 R355	I282-D286 WeakPolarHBondContact O-CB 3.44Å; I282-D286 PolarHBondContact O-N 2.97Å; Y283-D286 PolarHBondContact O-N 3.06Å; V284-D286 VanDerWaalsContact C-N 3.32Å; V284-D286 PolarHBondContact O-N 3.27Å; D286-N290 WeakPolarHBondContact O-CB 3.48Å; D286-N290 PolarHBondContact O-N 3.14Å; D286-N290 PolarHBondContact O-ND2 3.41Å; D286-Y351 HydrophobicContact CB-CE2 3.7Å; D286-Y351 VanDerWaalsContact CG-CE2 3.41Å; D286-Y351 WeakPolarHBondContact OD1-CE2 3.37Å; D286-Y351 PolarHBondContact OD1-OH 2.87Å; D286-R355 IonicContact OD1-CZ 2.7Å; D286-R355 IonicContact OD1-NE 3.31Å; D286-R355 PolarHBondContact OD1-NE 3.28Å; D286-R355 IonicContact OD1-NH2 3.77Å; D286-R355 PolarHBondContact OD1-NH2 2.89Å; D286-R355 IonicContact OD2-CZ 3.69Å; D286-R355 VanDerWaalsContact OD2-CZ 3.31Å; D286-R355 IonicContact OD2-NE 3.51Å; D286-R355 PolarHBondContact OD2-NE 2.85Å; D286-R355 IonicContact OD2-NH2 3.74Å; D286-R355 PolarHBondContact OD2-NH2 3.3Å
287	F	95.7	Very high	95.1	Very high	31 Å²	31	33.4 Å²	33.4	14%	0.136	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-53	170.3	172.2	-90.5	0	0	0	111.1	I248 Y283 V284 L285 W289 N290 E291 Y294	I248-F287 HydrophobicContact CD1-CD1 3.93Å; I248-F287 HydrophobicContact CD1-CD2 4.06Å; I248-F287 HydrophobicContact CD1-CE1 3.6Å; I248-F287 HydrophobicContact CD1-CE2 3.73Å; I248-F287 HydrophobicContact CD1-CG 4.16Å; I248-F287 HydrophobicContact CD1-CZ 3.49Å; I248-F287 VanDerWaalsContact CD1-CZ 3.49Å; I248-F287 HydrophobicContact CG2-CD1 3.98Å; I248-F287 HydrophobicContact CG2-CE1 4.36Å; Y283-F287 PolarHBondContact O-N 3.44Å; V284-F287 WeakPolarHBondContact O-CB 3.42Å; V284-F287 PolarHBondContact O-N 3.11Å; L285-F287 VanDerWaalsContact C-N 3.32Å; L285-F287 PolarHBondContact O-N 3.39Å; F287-W289 PolarHBondContact O-N 2.74Å; F287-N290 CarbonylContact O-C 3.55Å; F287-N290 WeakPolarHBondContact O-CA 3.26Å; F287-N290 PolarHBondContact O-N 3.13Å; F287-E291 PolarHBondContact O-N 2.7Å; F287-Y294 HydrophobicContact CE2-CD1 4.32Å; F287-Y294 AromaticContact CE2-CD2 3.53Å; F287-Y294 HydrophobicContact CE2-CD2 3.53Å; F287-Y294 AromaticContact CE2-CE2 3.97Å; F287-Y294 HydrophobicContact CE2-CE2 3.97Å; F287-Y294 AromaticContact CE2-CG 3.74Å; F287-Y294 HydrophobicContact CE2-CG 3.74Å; F287-Y294 HydrophobicContact CZ-CD1 4.16Å; F287-Y294 HydrophobicContact CZ-CD2 4.19Å; F287-Y294 HydrophobicContact CZ-CE1 4.49Å; F287-Y294 AromaticContact CZ-CG 3.99Å; F287-Y294 HydrophobicContact CZ-CG 3.99Å
288	F	96.9	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69	-35.4	-177.2	-74.6	-57.3	0	0	0	113.7	G150 L151 W154 G244 I248 V249 V284 L285 N290 E291	G150-F288 VanDerWaalsContact C-CD1 3.46Å; L151-F288 HydrophobicContact CB-CB 4.11Å; L151-F288 HydrophobicContact CD1-CB 4.18Å; W154-F288 HydrophobicContact CB-CD2 3.9Å; W154-F288 HydrophobicContact CB-CE2 4.08Å; W154-F288 HydrophobicContact CB-CG 4.41Å; W154-F288 AromaticContact CD1-CD2 3.66Å; W154-F288 AromaticContact CD1-CE2 3.43Å; W154-F288 VanDerWaalsContact CD1-CE2 3.43Å; W154-F288 AromaticContact CG-CD2 3.88Å; W154-F288 HydrophobicContact CG-CD2 3.88Å; W154-F288 HydrophobicContact CG-CE2 4.01Å; G244-F288 WeakPolarHBondContact O-CZ 3.46Å; I248-F288 HydrophobicContact CB-CZ 4.1Å; I248-F288 HydrophobicContact CG2-CE2 3.67Å; I248-F288 HydrophobicContact CG2-CZ 3.7Å; V249-F288 HydrophobicContact CB-CZ 4.42Å; V249-F288 HydrophobicContact CG2-CE1 4.18Å; V249-F288 HydrophobicContact CG2-CE2 3.9Å; V249-F288 HydrophobicContact CG2-CZ 3.39Å; V284-F288 HydrophobicContact CG1-CD2 3.87Å; V284-F288 HydrophobicContact CG1-CE2 3.63Å; V284-F288 VanDerWaalsContact O-CD2 3.3Å; V284-F288 WeakPolarHBondContact O-CD2 3.43Å; V284-F288 PolarHBondContact O-N 3.15Å; V284-F288 VanDerWaalsContact O-N 3.07Å; L285-F288 PolarHBondContact O-N 2.97Å; F288-N290 PolarHBondContact O-N 3.38Å; F288-E291 PolarHBondContact O-N 3.47Å
289	W	95.6	Very high	94	Very high	104 Å²	104	30.7 Å²	30.7	39%	0.394	14%	0.143	S	C	.	.	H	α-helix	trans	-58.3	-28.7	171.4	-173.7	-81.3	0	0	0	111.8	I125 Y128 L151 L285 F287	I125-W289 HydrophobicContact CG2-CH2 3.28Å; I125-W289 HydrophobicContact CG2-CZ2 4.21Å; I125-W289 HydrophobicContact CG2-CZ3 3.63Å; Y128-W289 WeakPolarHBondContact CD2-O 3.32Å; L151-W289 HydrophobicContact CD2-CE3 3.96Å; L151-W289 HydrophobicContact CD2-CZ3 4.42Å; L285-W289 WeakPolarHBondContact O-CB 3.3Å; L285-W289 PolarHBondContact O-N 2.94Å; F287-W289 PolarHBondContact O-N 2.74Å
290	N	93.7	Very high	93.6	Very high	39 Å²	39	30.5 Å²	30.5	21%	0.209	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	25.5	-176.3	-61.8	-93.8	0	0	0	112.6	D286 F287 F288 A292 W293 Y294 R355	D286-N290 WeakPolarHBondContact O-CB 3.48Å; D286-N290 PolarHBondContact O-N 3.14Å; D286-N290 PolarHBondContact O-ND2 3.41Å; F287-N290 CarbonylContact O-C 3.55Å; F287-N290 WeakPolarHBondContact O-CA 3.26Å; F287-N290 PolarHBondContact O-N 3.13Å; F288-N290 PolarHBondContact O-N 3.38Å; N290-A292 PolarHBondContact O-N 3.3Å; N290-W293 WeakPolarHBondContact O-CA 3.49Å; N290-W293 VanDerWaalsContact O-CB 3.28Å; N290-W293 WeakPolarHBondContact O-CB 3.41Å; N290-W293 PolarHBondContact O-N 3.17Å; N290-Y294 PolarHBondContact O-N 3.25Å; N290-R355 VanDerWaalsContact CG-CZ 3.47Å; N290-R355 VanDerWaalsContact CG-NH2 3.28Å; N290-R355 PolarHBondContact ND2-NH1 2.89Å; N290-R355 VanDerWaalsContact ND2-NH1 3.13Å; N290-R355 PolarHBondContact ND2-NH2 3.28Å; N290-R355 PolarHBondContact OD1-NH1 3.08Å
291	E	95.4	Very high	93.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-35	-175.8	-175.7	-176.1	-143.9	0	0	111.7	I148 G150 L240 R245 F287 F288 W293 Y294	I148-E291 HydrophobicContact CD1-CG 4.35Å; I148-E291 HydrophobicContact CG2-CB 3.81Å; I148-E291 HydrophobicContact CG2-CG 4.02Å; I148-E291 VanDerWaalsContact CG2-OE2 3.31Å; I148-E291 WeakPolarHBondContact CG2-OE2 3.33Å; G150-E291 WeakPolarHBondContact CA-OE2 3.35Å; G150-E291 PolarHBondContact N-OE2 2.95Å; L240-E291 HydrophobicContact CD1-CG 4.23Å; R245-E291 IonicContact CZ-OE1 2.98Å; R245-E291 VanDerWaalsContact CZ-OE1 3.27Å; R245-E291 IonicContact NH1-OE1 2.79Å; R245-E291 PolarHBondContact NH1-OE1 2.89Å; R245-E291 IonicContact NH2-OE1 2.88Å; R245-E291 PolarHBondContact NH2-OE1 3.37Å; R245-E291 IonicContact NH2-OE2 2.89Å; F287-E291 PolarHBondContact O-N 2.7Å; F288-E291 PolarHBondContact O-N 3.47Å; E291-W293 PolarHBondContact O-N 3.19Å; E291-Y294 WeakPolarHBondContact O-CA 3.27Å; E291-Y294 WeakPolarHBondContact O-CB 3.29Å; E291-Y294 PolarHBondContact O-N 3.48Å
292	A	93.3	Very high	92.5	Very high	15 Å²	15	32 Å²	32	12%	0.124	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-29.7	173.7	0	0	0	0	0	113.3	V129 Q133 I148 N290 L295	V129-A292 HydrophobicContact CB-CB 4.2Å; V129-A292 HydrophobicContact CG1-CB 3.83Å; V129-A292 WeakPolarHBondContact O-CB 3.15Å; Q133-A292 HydrophobicContact CG-CB 4.13Å; I148-A292 HydrophobicContact CG1-CB 4.4Å; I148-A292 HydrophobicContact CG2-CB 4.29Å; N290-A292 PolarHBondContact O-N 3.3Å; A292-L295 WeakPolarHBondContact O-CB 3.45Å
293	W	88.5	Confident	92.1	Very high	70 Å²	70	29.9 Å²	29.9	27%	0.265	14%	0.136	S	C	.	.	H	α-helix	trans	-74.5	-28.2	173.7	-177.3	91.6	0	0	0	112	N290 E291 L295 K296 T297	N290-W293 WeakPolarHBondContact O-CA 3.49Å; N290-W293 VanDerWaalsContact O-CB 3.28Å; N290-W293 WeakPolarHBondContact O-CB 3.41Å; N290-W293 PolarHBondContact O-N 3.17Å; E291-W293 PolarHBondContact O-N 3.19Å; W293-L295 PolarHBondContact O-N 3.22Å; W293-K296 WeakPolarHBondContact O-CB 3.13Å; W293-K296 PolarHBondContact O-N 2.84Å; W293-T297 HydrophobicContact CE3-CG2 3.93Å; W293-T297 HydrophobicContact CH2-CG2 4.06Å; W293-T297 HydrophobicContact CZ3-CG2 3.53Å
294	Y	90.9	Very high	92	Very high	19 Å²	19	27.5 Å²	27.5	8%	0.075	13%	0.127	C	C	.	.	H	α-helix	trans	-57.8	-31.3	176	-173.9	-112.5	0	0	0	112.2	L240 N243 F287 N290 E291 K296 T297 D299 I300	L240-Y294 HydrophobicContact CD1-CD1 3.96Å; L240-Y294 HydrophobicContact CD1-CE1 4.46Å; N243-Y294 HydrophobicContact CB-CE1 4.42Å; N243-Y294 PolarHBondContact ND2-OH 2.93Å; N243-Y294 WeakPolarHBondContact OD1-CE1 3.4Å; N243-Y294 VanDerWaalsContact OD1-CZ 3.23Å; N243-Y294 PolarHBondContact OD1-OH 2.87Å; F287-Y294 HydrophobicContact CE2-CD1 4.32Å; F287-Y294 AromaticContact CE2-CD2 3.53Å; F287-Y294 HydrophobicContact CE2-CD2 3.53Å; F287-Y294 AromaticContact CE2-CE2 3.97Å; F287-Y294 HydrophobicContact CE2-CE2 3.97Å; F287-Y294 AromaticContact CE2-CG 3.74Å; F287-Y294 HydrophobicContact CE2-CG 3.74Å; F287-Y294 HydrophobicContact CZ-CD1 4.16Å; F287-Y294 HydrophobicContact CZ-CD2 4.19Å; F287-Y294 HydrophobicContact CZ-CE1 4.49Å; F287-Y294 AromaticContact CZ-CG 3.99Å; F287-Y294 HydrophobicContact CZ-CG 3.99Å; N290-Y294 PolarHBondContact O-N 3.25Å; E291-Y294 WeakPolarHBondContact O-CA 3.27Å; E291-Y294 WeakPolarHBondContact O-CB 3.29Å; E291-Y294 PolarHBondContact O-N 3.48Å; Y294-K296 PolarHBondContact O-N 3.48Å; Y294-T297 HydrophobicContact CD2-CG2 3.75Å; Y294-T297 HydrophobicContact CE2-CG2 4.28Å; Y294-T297 WeakPolarHBondContact CE2-OG1 3.42Å; Y294-T297 HydrophobicContact CG-CG2 4.48Å; Y294-T297 WeakPolarHBondContact O-CB 3.27Å; Y294-T297 WeakPolarHBondContact O-CG2 3.48Å; Y294-T297 PolarHBondContact O-N 3.5Å; Y294-T297 PolarHBondContact O-OG1 3.48Å; Y294-D299 WeakPolarHBondContact OH-CB 3.44Å; Y294-I300 HydrophobicContact CD1-CD1 4.36Å; Y294-I300 HydrophobicContact CD1-CG1 3.92Å; Y294-I300 HydrophobicContact CE1-CD1 3.91Å; Y294-I300 HydrophobicContact CE1-CG1 3.75Å
295	L	92.4	Very high	91.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.2	173	-59.6	-175.3	0	0	0	114.1	Q133 Y146 I148 L240 A292 W293 C301	Q133-L295 HydrophobicContact CB-CD1 4.1Å; Y146-L295 HydrophobicContact CD1-CD2 3.7Å; Y146-L295 HydrophobicContact CD2-CD1 3.83Å; Y146-L295 HydrophobicContact CD2-CD2 3.82Å; Y146-L295 HydrophobicContact CD2-CG 4.45Å; Y146-L295 HydrophobicContact CE1-CD2 3.96Å; Y146-L295 HydrophobicContact CE2-CD2 4.13Å; Y146-L295 HydrophobicContact CG-CD1 4.02Å; Y146-L295 HydrophobicContact CG-CD2 3.61Å; Y146-L295 HydrophobicContact CG-CG 4.48Å; I148-L295 HydrophobicContact CD1-CD1 4.03Å; I148-L295 HydrophobicContact CD1-CD2 4.21Å; I148-L295 HydrophobicContact CD1-CG 4.18Å; I148-L295 HydrophobicContact CG1-CD1 4.49Å; L240-L295 HydrophobicContact CD1-CD2 4.45Å; L240-L295 HydrophobicContact CD2-CD2 4.33Å; A292-L295 WeakPolarHBondContact O-CB 3.45Å; W293-L295 PolarHBondContact O-N 3.22Å; L295-C301 PolarHBondContact O-SG 2.65Å
296	K	87.7	Confident	91.9	Very high	121 Å²	121	24.6 Å²	24.6	53%	0.526	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	3.5	-179.4	-55.4	178.6	-174.9	175.6	0	113.2	W293 Y294 C301	W293-K296 WeakPolarHBondContact O-CB 3.13Å; W293-K296 PolarHBondContact O-N 2.84Å; Y294-K296 PolarHBondContact O-N 3.48Å; K296-C301 VanDerWaalsContact C-SG 3.54Å; K296-C301 VanDerWaalsContact CA-SG 3.51Å
297	T	87.4	Confident	91.9	Very high	11 Å²	11	24.2 Å²	24.2	7%	0.067	11%	0.11	C	C	.	.	S	Bend	trans	-84.2	168.3	-178.1	65.5	0	0	0	0	112.1	W293 Y294 D299 I300 C301	W293-T297 HydrophobicContact CE3-CG2 3.93Å; W293-T297 HydrophobicContact CH2-CG2 4.06Å; W293-T297 HydrophobicContact CZ3-CG2 3.53Å; Y294-T297 HydrophobicContact CD2-CG2 3.75Å; Y294-T297 HydrophobicContact CE2-CG2 4.28Å; Y294-T297 WeakPolarHBondContact CE2-OG1 3.42Å; Y294-T297 HydrophobicContact CG-CG2 4.48Å; Y294-T297 WeakPolarHBondContact O-CB 3.27Å; Y294-T297 WeakPolarHBondContact O-CG2 3.48Å; Y294-T297 PolarHBondContact O-N 3.5Å; Y294-T297 PolarHBondContact O-OG1 3.48Å; T297-D299 PolarHBondContact O-N 2.89Å; T297-I300 PolarHBondContact O-N 3.18Å; T297-C301 WeakPolarHBondContact O-CB 3.46Å; T297-C301 PolarHBondContact O-N 3.35Å; T297-C301 PolarHBondContact O-SG 3.11Å
298	I	85.7	Confident	91.9	Very high	13 Å²	13	26.5 Å²	26.5	7%	0.067	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-34.8	-179	-154.7	172.8	0	0	0	112.3	I300 H302 D303 R446	I298-I300 PolarHBondContact O-N 2.93Å; I298-H302 HydrophobicContact CG1-CB 3.76Å; I298-H302 WeakPolarHBondContact O-CA 3.37Å; I298-H302 WeakPolarHBondContact O-CB 3.5Å; I298-H302 PolarHBondContact O-N 2.95Å; I298-D303 PolarHBondContact O-N 2.93Å; I298-R446 VanDerWaalsContact CG2-NH2 3.29Å
299	D	88.3	Confident	91.8	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.107	12%	0.122	C	C	.	.	H	α-helix	trans	-67.6	-43	-172.5	-50.7	-56.6	0	0	0	110	K239 Y294 T297 R446	K239-D299 WeakPolarHBondContact CD-O 3.33Å; K239-D299 WeakPolarHBondContact CE-O 3.18Å; K239-D299 PolarHBondContact NZ-O 3.37Å; Y294-D299 WeakPolarHBondContact OH-CB 3.44Å; T297-D299 PolarHBondContact O-N 2.89Å; D299-R446 IonicContact OD1-NH1 2.75Å; D299-R446 IonicContact OD2-CZ 2.7Å; D299-R446 IonicContact OD2-NH1 2.98Å; D299-R446 PolarHBondContact OD2-NH1 3.04Å; D299-R446 IonicContact OD2-NH2 3.5Å; D299-R446 PolarHBondContact OD2-NH2 3.33Å
300	I	90.5	Very high	91.8	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-80.4	-44.8	174.1	-58.6	-61.5	0	0	0	112.2	F228 N229 K239 Y294 T297 I298	F228-I300 WeakPolarHBondContact CE2-O 3.24Å; F228-I300 WeakPolarHBondContact CZ-O 3.43Å; N229-I300 PolarHBondContact OD1-O 3.45Å; K239-I300 HydrophobicContact CB-CD1 3.52Å; K239-I300 HydrophobicContact CD-CD1 4.02Å; K239-I300 HydrophobicContact CG-CD1 4.49Å; K239-I300 PolarHBondContact NZ-O 3.09Å; Y294-I300 HydrophobicContact CD1-CD1 4.36Å; Y294-I300 HydrophobicContact CD1-CG1 3.92Å; Y294-I300 HydrophobicContact CE1-CD1 3.91Å; Y294-I300 HydrophobicContact CE1-CG1 3.75Å; T297-I300 PolarHBondContact O-N 3.18Å; I298-I300 PolarHBondContact O-N 2.93Å
301	C	88.4	Confident	92	Very high	12 Å²	12	20.5 Å²	20.5	8%	0.081	9%	0.094	C	C	.	.	H	α-helix	trans	-86.8	-17.2	-167.9	-69	0	0	0	0	115.5	W32 A136 F228 L295 K296 T297	W32-C301 WeakPolarHBondContact CH2-O 3.23Å; W32-C301 WeakPolarHBondContact CZ2-O 3.29Å; A136-C301 HydrophobicContact CB-CB 4.35Å; A136-C301 WeakPolarHBondContact CB-SG 3.37Å; F228-C301 VanDerWaalsContact CZ-O 3.25Å; F228-C301 WeakPolarHBondContact CZ-O 3.31Å; L295-C301 PolarHBondContact O-SG 2.65Å; K296-C301 VanDerWaalsContact C-SG 3.54Å; K296-C301 VanDerWaalsContact CA-SG 3.51Å; T297-C301 WeakPolarHBondContact O-CB 3.46Å; T297-C301 PolarHBondContact O-N 3.35Å; T297-C301 PolarHBondContact O-SG 3.11Å
302	H	85.4	Confident	92	Very high	32 Å²	32	21.3 Å²	21.3	15%	0.148	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-34.6	-168	-62.4	-51.7	0	0	0	114.6	W32 G33 I298 R453	W32-H302 AromaticContact CE2-ND1 3.58Å; W32-H302 AromaticContact CZ2-ND1 3.84Å; W32-H302 AromaticContact NE1-CE1 3.67Å; W32-H302 AromaticContact NE1-ND1 3.35Å; W32-H302 PolarHBondContact NE1-ND1 3.1Å; G33-H302 WeakPolarHBondContact CA-O 3.49Å; I298-H302 HydrophobicContact CG1-CB 3.76Å; I298-H302 WeakPolarHBondContact O-CA 3.37Å; I298-H302 WeakPolarHBondContact O-CB 3.5Å; I298-H302 PolarHBondContact O-N 2.95Å; H302-R453 PolarHBondContact CD2-NH1 3.36Å; H302-R453 PolarHBondContact CD2-NH2 2.85Å; H302-R453 PolarHBondContact CE1-NH2 3.21Å; H302-R453 VanDerWaalsContact CE1-NH2 3.27Å; H302-R453 PolarHBondContact NE2-NH2 3.1Å
303	D	90.3	Very high	92.2	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	10%	0.099	C	C	.	.			trans	-82.7	149.1	178.7	-71	-18.5	0	0	0	110.5	F228 K239 I298 R449	F228-D303 WeakPolarHBondContact CD2-O 3.35Å; F228-D303 VanDerWaalsContact CE2-O 3.22Å; F228-D303 WeakPolarHBondContact CE2-O 3.49Å; K239-D303 VanDerWaalsContact CE-O 3.3Å; K239-D303 WeakPolarHBondContact CE-O 3.26Å; K239-D303 PolarHBondContact NZ-O 2.63Å; I298-D303 PolarHBondContact O-N 2.93Å; D303-R449 IonicContact OD1-CZ 3.44Å; D303-R449 IonicContact OD1-NH1 3.06Å; D303-R449 IonicContact OD1-NH2 3.5Å; D303-R449 PolarHBondContact OD1-NH2 2.84Å; D303-R449 IonicContact OD2-NH1 3.59Å; D303-R449 IonicContact OD2-NH2 2.97Å
304	H	94.6	Very high	92.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.019	9%	0.087	C	C	.	.			trans	-91.4	157.1	174.2	-72.8	64.9	0	0	0	109.4	W32 D211 M224 G225 I226 E227 F228 G306	W32-H304 AromaticContact CZ3-CE1 3.99Å; D211-H304 PolarHBondContact O-NE2 3.39Å; D211-H304 VanDerWaalsContact O-NE2 3.14Å; M224-H304 CarbonylContact O-C 3.17Å; M224-H304 VanDerWaalsContact O-CB 3.24Å; M224-H304 WeakPolarHBondContact O-CB 3.21Å; G225-H304 WeakPolarHBondContact O-CB 3.19Å; I226-H304 PolarHBondContact O-CD2 2.83Å; E227-H304 VanDerWaalsContact C-CD2 3.43Å; F228-H304 WeakPolarHBondContact CA-CD2 3.44Å; F228-H304 AromaticContact CD2-CE1 3.96Å; F228-H304 PolarHBondContact N-CD2 3.19Å; F228-H304 VanDerWaalsContact N-CD2 3.31Å; H304-G306 PolarHBondContact O-N 3.26Å
305	F	96	Very high	92.9	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.083	C	C	.	.			trans	-88.6	109.4	179.7	-171	-98.7	0	0	0	110.6	V194 A198 G225 E227 P230 F238 K239 F242 L309	V194-F305 HydrophobicContact CG2-CE1 4Å; V194-F305 HydrophobicContact CG2-CZ 4.17Å; A198-F305 HydrophobicContact CB-CD1 3.72Å; A198-F305 HydrophobicContact CB-CE1 4.06Å; G225-F305 VanDerWaalsContact CA-C 3.48Å; G225-F305 VanDerWaalsContact CA-O 3.23Å; G225-F305 WeakPolarHBondContact CA-O 3.4Å; E227-F305 PolarHBondContact O-N 2.87Å; P230-F305 HydrophobicContact CG-CB 3.56Å; P230-F305 HydrophobicContact CG-CD1 3.7Å; P230-F305 HydrophobicContact CG-CG 3.91Å; F238-F305 HydrophobicContact CB-CD1 4.02Å; F238-F305 HydrophobicContact CB-CD2 4.47Å; F238-F305 HydrophobicContact CB-CE1 3.85Å; F238-F305 HydrophobicContact CB-CE2 4.28Å; F238-F305 HydrophobicContact CB-CG 4.32Å; F238-F305 HydrophobicContact CB-CZ 3.97Å; F238-F305 AromaticContact CD1-CE1 3.86Å; F238-F305 HydrophobicContact CD1-CE1 3.86Å; F238-F305 HydrophobicContact CD1-CZ 4.3Å; F238-F305 HydrophobicContact CG-CE1 4.25Å; K239-F305 HydrophobicContact CB-CD2 4.45Å; K239-F305 HydrophobicContact CG-CB 3.95Å; K239-F305 HydrophobicContact CG-CD2 3.64Å; K239-F305 HydrophobicContact CG-CG 4.14Å; F242-F305 HydrophobicContact CD2-CZ 4.1Å; F242-F305 HydrophobicContact CG-CZ 4.5Å; F305-L309 HydrophobicContact CD2-CB 3.66Å; F305-L309 HydrophobicContact CD2-CD1 4.13Å; F305-L309 HydrophobicContact CE2-CB 3.86Å
306	G	96.4	Very high	93.1	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.031	9%	0.089	C	C	.	.	S	Bend	trans	-138.1	-161.5	173.9	0	0	0	0	0	110.8	M223 G225 H304 Y308 L309 G310	M223-G306 CarbonylContact O-C 3.39Å; G225-G306 VanDerWaalsContact CA-CA 3.47Å; H304-G306 PolarHBondContact O-N 3.26Å; G306-Y308 PolarHBondContact O-N 3.01Å; G306-L309 PolarHBondContact O-N 2.69Å; G306-G310 PolarHBondContact O-N 2.91Å
307	W	97.5	Very high	93.6	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.015	7%	0.067	C	C	.	.	H	α-helix	trans	-55.7	-35.4	-179.2	-177.3	96.6	0	0	0	113.8	L50 A53 P54 Y192 S195 Y222 M223 L309 G310 W311	L50-W307 HydrophobicContact CD2-CB 4.26Å; L50-W307 HydrophobicContact CD2-CD2 3.48Å; L50-W307 VanDerWaalsContact CD2-CD2 3.48Å; L50-W307 HydrophobicContact CD2-CE3 3.64Å; L50-W307 HydrophobicContact CD2-CG 3.78Å; L50-W307 HydrophobicContact CD2-CH2 4.42Å; L50-W307 HydrophobicContact CD2-CZ2 4.32Å; L50-W307 HydrophobicContact CD2-CZ3 4.12Å; A53-W307 HydrophobicContact CB-CH2 4.01Å; P54-W307 HydrophobicContact CG-CZ2 4.15Å; Y192-W307 AromaticContact CD1-CD1 3.81Å; Y192-W307 AromaticContact CD1-NE1 3.58Å; Y192-W307 AromaticContact CE1-CD1 3.71Å; Y192-W307 AromaticContact CE1-NE1 3.1Å; Y192-W307 AromaticContact CZ-NE1 3.48Å; S195-W307 WeakPolarHBondContact OG-CA 3.38Å; Y222-W307 HydrophobicContact CD1-CB 3.89Å; Y222-W307 HydrophobicContact CD1-CG 4.41Å; Y222-W307 HydrophobicContact CE1-CB 3.65Å; Y222-W307 AromaticContact CE1-CD1 3.65Å; Y222-W307 AromaticContact CE1-CG 3.84Å; Y222-W307 HydrophobicContact CE1-CG 3.84Å; Y222-W307 PolarHBondContact O-N 3.4Å; M223-W307 HydrophobicContact CE-CE3 3.85Å; M223-W307 HydrophobicContact CE-CZ3 3.71Å; M223-W307 PolarHBondContact O-N 2.92Å; M223-W307 VanDerWaalsContact O-N 3.1Å; M223-W307 HydrophobicContact SD-CE3 3.51Å; M223-W307 VanDerWaalsContact SD-CE3 3.51Å; M223-W307 HydrophobicContact SD-CZ3 3.78Å; W307-L309 PolarHBondContact O-N 3.12Å; W307-G310 PolarHBondContact O-N 3.44Å; W307-W311 HydrophobicContact CD2-CB 3.84Å; W307-W311 HydrophobicContact CD2-CG 4.34Å; W307-W311 AromaticContact CE2-CD2 3.91Å; W307-W311 AromaticContact CE2-CG 3.56Å; W307-W311 HydrophobicContact CG-CB 4.04Å; W307-W311 AromaticContact CH2-CD2 3.92Å; W307-W311 HydrophobicContact CH2-CD2 3.92Å; W307-W311 AromaticContact CH2-CE3 3.58Å; W307-W311 HydrophobicContact CH2-CE3 3.58Å; W307-W311 HydrophobicContact CH2-CG 4.43Å; W307-W311 AromaticContact CH2-CZ3 3.99Å; W307-W311 HydrophobicContact CH2-CZ3 3.99Å; W307-W311 HydrophobicContact CZ2-CB 4.06Å; W307-W311 AromaticContact CZ2-CD2 3.45Å; W307-W311 HydrophobicContact CZ2-CD2 3.45Å; W307-W311 VanDerWaalsContact CZ2-CD2 3.45Å; W307-W311 AromaticContact CZ2-CE2 3.98Å; W307-W311 AromaticContact CZ2-CE3 3.64Å; W307-W311 HydrophobicContact CZ2-CE3 3.64Å; W307-W311 AromaticContact CZ2-CG 3.63Å; W307-W311 HydrophobicContact CZ2-CG 3.63Å; W307-W311 HydrophobicContact CZ2-CZ3 4.31Å; W307-W311 HydrophobicContact CZ3-CE3 4.16Å; W307-W311 AromaticContact NE1-CD1 3.81Å; W307-W311 AromaticContact NE1-CG 3.6Å; W307-W311 VanDerWaalsContact O-CB 3.26Å; W307-W311 WeakPolarHBondContact O-CB 3.36Å; W307-W311 PolarHBondContact O-N 3.44Å
308	Y	94.3	Very high	94	Very high	79 Å²	79	13 Å²	13	31%	0.31	7%	0.065	S	C	.	.	H	α-helix	trans	-55	-47.2	177.8	179.2	-100.6	0	0	0	112.9	M223 G306 G312	M223-Y308 HydrophobicContact CE-CD2 3.9Å; M223-Y308 WeakPolarHBondContact O-CB 3.5Å; M223-Y308 PolarHBondContact O-N 2.96Å; G306-Y308 PolarHBondContact O-N 3.01Å; Y308-G312 WeakPolarHBondContact O-CA 3.26Å; Y308-G312 PolarHBondContact O-N 3.45Å
309	L	94.6	Very high	94.6	Very high	12 Å²	12	12.5 Å²	12.5	6%	0.063	6%	0.062	C	C	.	.	H	α-helix	trans	-82.6	-46.6	177.1	-66.5	180	0	0	0	111.2	K239 F305 G306 W307 W311 G312 D313	K239-L309 HydrophobicContact CD-CD1 4.44Å; K239-L309 HydrophobicContact CG-CD1 4.33Å; F305-L309 HydrophobicContact CD2-CB 3.66Å; F305-L309 HydrophobicContact CD2-CD1 4.13Å; F305-L309 HydrophobicContact CE2-CB 3.86Å; G306-L309 PolarHBondContact O-N 2.69Å; W307-L309 PolarHBondContact O-N 3.12Å; L309-W311 PolarHBondContact O-N 2.69Å; L309-G312 PolarHBondContact O-N 3.5Å; L309-D313 VanDerWaalsContact O-CB 3.27Å; L309-D313 WeakPolarHBondContact O-CB 3.25Å; L309-D313 VanDerWaalsContact O-CG 3.24Å; L309-D313 PolarHBondContact O-N 3.33Å
310	G	95.9	Very high	95	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.1	-48.3	-175.7	0	0	0	0	0	113.7	G306 W307 C314	G306-G310 PolarHBondContact O-N 2.91Å; W307-G310 PolarHBondContact O-N 3.44Å; G310-C314 WeakPolarHBondContact O-CB 3.15Å; G310-C314 PolarHBondContact O-N 2.82Å; G310-C314 PolarHBondContact O-SG 2.87Å
311	W	97.8	Very high	95.4	Very high	5 Å²	5	12.8 Å²	12.8	2%	0.019	6%	0.062	C	C	.	.	H	α-helix	trans	-78.3	-37.3	176.1	-178.1	91.3	0	0	0	111.9	A53 P54 V57 N188 Y192 W307 L309 D313 C314 V315 W316	A53-W311 HydrophobicContact CB-CH2 3.8Å; A53-W311 HydrophobicContact CB-CZ3 3.75Å; P54-W311 HydrophobicContact CB-CZ2 4.06Å; P54-W311 HydrophobicContact CG-CZ2 3.92Å; V57-W311 HydrophobicContact CG2-CH2 3.72Å; V57-W311 HydrophobicContact CG2-CZ2 4.16Å; N188-W311 PolarHBondContact OD1-NE1 3.47Å; Y192-W311 AromaticContact CE2-CD1 3.94Å; Y192-W311 AromaticContact CE2-NE1 3.99Å; W307-W311 HydrophobicContact CD2-CB 3.84Å; W307-W311 HydrophobicContact CD2-CG 4.34Å; W307-W311 AromaticContact CE2-CD2 3.91Å; W307-W311 AromaticContact CE2-CG 3.56Å; W307-W311 HydrophobicContact CG-CB 4.04Å; W307-W311 AromaticContact CH2-CD2 3.92Å; W307-W311 HydrophobicContact CH2-CD2 3.92Å; W307-W311 AromaticContact CH2-CE3 3.58Å; W307-W311 HydrophobicContact CH2-CE3 3.58Å; W307-W311 HydrophobicContact CH2-CG 4.43Å; W307-W311 AromaticContact CH2-CZ3 3.99Å; W307-W311 HydrophobicContact CH2-CZ3 3.99Å; W307-W311 HydrophobicContact CZ2-CB 4.06Å; W307-W311 AromaticContact CZ2-CD2 3.45Å; W307-W311 HydrophobicContact CZ2-CD2 3.45Å; W307-W311 VanDerWaalsContact CZ2-CD2 3.45Å; W307-W311 AromaticContact CZ2-CE2 3.98Å; W307-W311 AromaticContact CZ2-CE3 3.64Å; W307-W311 HydrophobicContact CZ2-CE3 3.64Å; W307-W311 AromaticContact CZ2-CG 3.63Å; W307-W311 HydrophobicContact CZ2-CG 3.63Å; W307-W311 HydrophobicContact CZ2-CZ3 4.31Å; W307-W311 HydrophobicContact CZ3-CE3 4.16Å; W307-W311 AromaticContact NE1-CD1 3.81Å; W307-W311 AromaticContact NE1-CG 3.6Å; W307-W311 VanDerWaalsContact O-CB 3.26Å; W307-W311 WeakPolarHBondContact O-CB 3.36Å; W307-W311 PolarHBondContact O-N 3.44Å; L309-W311 PolarHBondContact O-N 2.69Å; W311-D313 PolarHBondContact O-N 2.93Å; W311-C314 PolarHBondContact O-N 2.95Å; W311-V315 HydrophobicContact CD2-CB 4.12Å; W311-V315 HydrophobicContact CD2-CG2 4.37Å; W311-V315 HydrophobicContact CG-CB 4.49Å; W311-V315 HydrophobicContact CG-CG2 4.26Å; W311-V315 HydrophobicContact CH2-CB 4.48Å; W311-V315 HydrophobicContact CH2-CG1 4.32Å; W311-V315 HydrophobicContact CZ2-CB 3.84Å; W311-V315 HydrophobicContact CZ2-CG1 3.59Å; W311-V315 HydrophobicContact CZ2-CG2 4.48Å; W311-V315 WeakPolarHBondContact O-CB 3.39Å; W311-V315 PolarHBondContact O-N 3.36Å; W311-W316 HydrophobicContact CE3-CB 4.43Å; W311-W316 HydrophobicContact CH2-CB 4.45Å; W311-W316 AromaticContact CH2-CE3 3.86Å; W311-W316 HydrophobicContact CH2-CE3 3.86Å; W311-W316 HydrophobicContact CZ3-CB 3.9Å; W311-W316 HydrophobicContact CZ3-CD2 4.41Å; W311-W316 AromaticContact CZ3-CE3 3.73Å; W311-W316 HydrophobicContact CZ3-CE3 3.73Å
312	G	96.4	Very high	95.9	Very high	16 Å²	16	12.2 Å²	12.2	17%	0.165	6%	0.058	C	C	.	.	I	π-helix	trans	-57.7	-47.9	177.8	0	0	0	0	0	112.9	Y308 L309 W316 L317	Y308-G312 WeakPolarHBondContact O-CA 3.26Å; Y308-G312 PolarHBondContact O-N 3.45Å; L309-G312 PolarHBondContact O-N 3.5Å; G312-W316 WeakPolarHBondContact O-CB 3.45Å; G312-W316 PolarHBondContact O-N 3.49Å; G312-W316 VanDerWaalsContact O-N 3.11Å; G312-L317 PolarHBondContact O-N 2.91Å
313	D	96.3	Very high	96.5	Very high	12 Å²	12	10.7 Å²	10.7	6%	0.064	5%	0.051	C	C	.	.	I	π-helix	trans	-69.8	-33.1	179	-69.4	-36	0	0	0	112.5	F242 N243 L309 W311 P318	F242-D313 HydrophobicContact CB-CB 4.12Å; N243-D313 VanDerWaalsContact CA-CG 3.43Å; N243-D313 WeakPolarHBondContact CA-OD2 3.34Å; N243-D313 WeakPolarHBondContact CB-OD2 3.22Å; N243-D313 PolarHBondContact N-OD2 3.41Å; N243-D313 PolarHBondContact ND2-OD1 3.07Å; L309-D313 VanDerWaalsContact O-CB 3.27Å; L309-D313 WeakPolarHBondContact O-CB 3.25Å; L309-D313 VanDerWaalsContact O-CG 3.24Å; L309-D313 PolarHBondContact O-N 3.33Å; W311-D313 PolarHBondContact O-N 2.93Å; D313-P318 WeakPolarHBondContact O-CD 3.47Å
314	C	96.9	Very high	96.9	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.007	5%	0.05	C	C	.	.	I	π-helix	trans	-79.1	-35.9	-179.7	-69.5	0	0	0	0	113.8	T187 F242 G310 W311 P318	T187-C314 WeakPolarHBondContact CB-O 3.41Å; F242-C314 WeakPolarHBondContact CD1-SG 3.36Å; G310-C314 WeakPolarHBondContact O-CB 3.15Å; G310-C314 PolarHBondContact O-N 2.82Å; G310-C314 PolarHBondContact O-SG 2.87Å; W311-C314 PolarHBondContact O-N 2.95Å; C314-P318 WeakPolarHBondContact O-CG 3.27Å
315	V	97.9	Very high	97.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-123.8	-57.3	-166.1	-172.1	0	0	0	0	111.5	V57 L184 T187 W311 L317 P318 Y319	V57-V315 HydrophobicContact CG1-CG1 4.06Å; V57-V315 HydrophobicContact CG2-CG1 4.35Å; L184-V315 HydrophobicContact CD1-CG1 3.94Å; T187-V315 VanDerWaalsContact C-CG2 3.5Å; T187-V315 WeakPolarHBondContact O-CG2 2.96Å; W311-V315 HydrophobicContact CD2-CB 4.12Å; W311-V315 HydrophobicContact CD2-CG2 4.37Å; W311-V315 HydrophobicContact CG-CB 4.49Å; W311-V315 HydrophobicContact CG-CG2 4.26Å; W311-V315 HydrophobicContact CH2-CB 4.48Å; W311-V315 HydrophobicContact CH2-CG1 4.32Å; W311-V315 HydrophobicContact CZ2-CB 3.84Å; W311-V315 HydrophobicContact CZ2-CG1 3.59Å; W311-V315 HydrophobicContact CZ2-CG2 4.48Å; W311-V315 WeakPolarHBondContact O-CB 3.39Å; W311-V315 PolarHBondContact O-N 3.36Å; V315-L317 PolarHBondContact O-N 3.4Å; V315-P318 WeakPolarHBondContact O-CD 3.33Å; V315-Y319 HydrophobicContact CG1-CD2 4.31Å; V315-Y319 WeakPolarHBondContact O-CB 3.5Å; V315-Y319 VanDerWaalsContact O-CD2 3.24Å; V315-Y319 WeakPolarHBondContact O-CD2 3.29Å; V315-Y319 PolarHBondContact O-N 3.01Å; V315-Y319 VanDerWaalsContact O-N 3.13Å
316	W	97.8	Very high	97.2	Very high	33 Å²	33	10.3 Å²	10.3	13%	0.125	5%	0.049	C	C	.	.	I	π-helix	trans	-60.8	-49.3	-174	-173.2	-85.5	0	0	0	112	A53 I56 V57 W311 G312 L320 Y321 F434 Y438	A53-W316 HydrophobicContact CB-CE3 4.29Å; A53-W316 HydrophobicContact CB-CZ3 3.98Å; I56-W316 HydrophobicContact CG2-CH2 4.37Å; I56-W316 HydrophobicContact CG2-CZ3 4.34Å; V57-W316 HydrophobicContact CG2-CE3 4.01Å; V57-W316 HydrophobicContact CG2-CZ3 4.45Å; W311-W316 HydrophobicContact CE3-CB 4.43Å; W311-W316 HydrophobicContact CH2-CB 4.45Å; W311-W316 AromaticContact CH2-CE3 3.86Å; W311-W316 HydrophobicContact CH2-CE3 3.86Å; W311-W316 HydrophobicContact CZ3-CB 3.9Å; W311-W316 HydrophobicContact CZ3-CD2 4.41Å; W311-W316 AromaticContact CZ3-CE3 3.73Å; W311-W316 HydrophobicContact CZ3-CE3 3.73Å; G312-W316 WeakPolarHBondContact O-CB 3.45Å; G312-W316 PolarHBondContact O-N 3.49Å; G312-W316 VanDerWaalsContact O-N 3.11Å; W316-L320 HydrophobicContact CD2-CD1 3.44Å; W316-L320 VanDerWaalsContact CD2-CD1 3.44Å; W316-L320 HydrophobicContact CD2-CG 4.36Å; W316-L320 VanDerWaalsContact CE2-CD1 3.45Å; W316-L320 HydrophobicContact CE3-CD1 3.44Å; W316-L320 VanDerWaalsContact CE3-CD1 3.44Å; W316-L320 HydrophobicContact CG-CD1 4.17Å; W316-L320 HydrophobicContact CH2-CD1 3.55Å; W316-L320 HydrophobicContact CZ2-CD1 3.52Å; W316-L320 HydrophobicContact CZ3-CD1 3.5Å; W316-L320 VanDerWaalsContact O-CB 3.29Å; W316-L320 WeakPolarHBondContact O-CB 3.48Å; W316-L320 PolarHBondContact O-N 3.42Å; W316-Y321 AromaticContact CD1-CE1 3.94Å; W316-F434 AromaticContact CH2-CZ 3.88Å; W316-F434 HydrophobicContact CH2-CZ 3.88Å; W316-F434 HydrophobicContact CZ2-CE1 4.12Å; W316-F434 AromaticContact CZ2-CZ 3.75Å; W316-F434 HydrophobicContact CZ2-CZ 3.75Å; W316-Y438 AromaticContact CD1-CZ 3.97Å; W316-Y438 AromaticContact CE2-CE2 3.67Å; W316-Y438 AromaticContact CE2-CZ 3.93Å; W316-Y438 AromaticContact CZ2-CD2 3.55Å; W316-Y438 HydrophobicContact CZ2-CD2 3.55Å; W316-Y438 AromaticContact CZ2-CE2 3.59Å; W316-Y438 HydrophobicContact CZ2-CE2 3.59Å; W316-Y438 HydrophobicContact CZ2-CG 4.19Å; W316-Y438 AromaticContact NE1-CD2 3.93Å; W316-Y438 AromaticContact NE1-CE1 3.51Å; W316-Y438 AromaticContact NE1-CE2 3.35Å; W316-Y438 AromaticContact NE1-CZ 3.12Å; W316-Y438 PolarHBondContact NE1-OH 2.97Å
317	L	96.5	Very high	97.3	Very high	13 Å²	13	10.6 Å²	10.6	7%	0.068	5%	0.049	C	C	.	.	H	α-helix	trans	-63	-57.2	-179.5	-178.3	166.9	0	0	0	111.1	I248 W251 G312 V315 Y319 Y321	I248-L317 HydrophobicContact CG1-CD1 3.8Å; W251-L317 HydrophobicContact CB-CD2 4.3Å; G312-L317 PolarHBondContact O-N 2.91Å; V315-L317 PolarHBondContact O-N 3.4Å; L317-Y319 VanDerWaalsContact C-N 3.29Å; L317-Y319 PolarHBondContact O-N 3.26Å; L317-Y321 HydrophobicContact CB-CD1 4.44Å; L317-Y321 HydrophobicContact CG-CD1 4.43Å; L317-Y321 HydrophobicContact CG-CD2 4.02Å; L317-Y321 HydrophobicContact CG-CE2 4.27Å; L317-Y321 HydrophobicContact CG-CG 4.13Å; L317-Y321 WeakPolarHBondContact O-CB 3.45Å; L317-Y321 PolarHBondContact O-N 2.75Å; L317-Y321 VanDerWaalsContact O-N 3.07Å
318	P	96.9	Very high	97.3	Very high	5 Å²	5	10.4 Å²	10.4	3%	0.032	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-32.9	-176.3	-28	38.6	0	0	0	114.4	W180 I254 D313 C314 V315 T322	W180-P318 WeakPolarHBondContact CH2-O 3.3Å; I254-P318 HydrophobicContact CD1-CB 3.72Å; D313-P318 WeakPolarHBondContact O-CD 3.47Å; C314-P318 WeakPolarHBondContact O-CG 3.27Å; V315-P318 WeakPolarHBondContact O-CD 3.33Å; P318-T322 WeakPolarHBondContact O-CB 3.12Å; P318-T322 VanDerWaalsContact O-CG2 3.27Å; P318-T322 WeakPolarHBondContact O-CG2 3.32Å; P318-T322 PolarHBondContact O-OG1 3.17Å
319	Y	97.9	Very high	97.5	Very high	3 Å²	3	6.7 Å²	6.7	1%	0.012	3%	0.034	C	C	.	.	H	α-helix	trans	-93.2	-36.3	-174.9	-73.8	-98.4	0	0	0	114.2	V57 V61 W180 L183 L184 T187 V315 L317	V57-Y319 HydrophobicContact CG1-CD1 4.31Å; V57-Y319 HydrophobicContact CG1-CG 3.95Å; V61-Y319 HydrophobicContact CG2-CD1 3.71Å; V61-Y319 HydrophobicContact CG2-CE1 4.38Å; W180-Y319 HydrophobicContact CD2-CD1 4.31Å; W180-Y319 AromaticContact CD2-CE1 3.74Å; W180-Y319 HydrophobicContact CD2-CE1 3.74Å; W180-Y319 AromaticContact CE2-CD1 3.43Å; W180-Y319 VanDerWaalsContact CE2-CD1 3.43Å; W180-Y319 AromaticContact CE2-CE1 3.33Å; W180-Y319 HydrophobicContact CE3-CE1 4.07Å; W180-Y319 HydrophobicContact CG-CE1 4.45Å; W180-Y319 AromaticContact CH2-CD1 3.7Å; W180-Y319 HydrophobicContact CH2-CD1 3.7Å; W180-Y319 HydrophobicContact CH2-CD2 4.23Å; W180-Y319 AromaticContact CH2-CE1 3.67Å; W180-Y319 HydrophobicContact CH2-CE1 3.67Å; W180-Y319 HydrophobicContact CH2-CE2 4.2Å; W180-Y319 AromaticContact CH2-CG 3.96Å; W180-Y319 HydrophobicContact CH2-CG 3.96Å; W180-Y319 AromaticContact CH2-CZ 3.9Å; W180-Y319 AromaticContact CZ2-CD1 3.08Å; W180-Y319 HydrophobicContact CZ2-CD1 3.08Å; W180-Y319 HydrophobicContact CZ2-CD2 4.37Å; W180-Y319 AromaticContact CZ2-CE1 3.32Å; W180-Y319 HydrophobicContact CZ2-CE1 3.32Å; W180-Y319 AromaticContact CZ2-CG 3.67Å; W180-Y319 HydrophobicContact CZ2-CG 3.67Å; W180-Y319 HydrophobicContact CZ3-CD1 4.5Å; W180-Y319 HydrophobicContact CZ3-CE1 4.02Å; W180-Y319 AromaticContact NE1-CD1 3.86Å; W180-Y319 AromaticContact NE1-CE1 3.87Å; W180-Y319 PolarHBondContact O-OH 3.28Å; L183-Y319 PolarHBondContact O-OH 3.08Å; L184-Y319 WeakPolarHBondContact CA-OH 3.47Å; L184-Y319 HydrophobicContact CB-CE1 3.69Å; L184-Y319 HydrophobicContact CD1-CD1 3.8Å; L184-Y319 HydrophobicContact CD1-CD2 4.06Å; L184-Y319 HydrophobicContact CD1-CE1 3.69Å; L184-Y319 HydrophobicContact CD1-CE2 3.96Å; L184-Y319 HydrophobicContact CD1-CG 4.01Å; L184-Y319 HydrophobicContact CG-CE1 4.18Å; L184-Y319 PolarHBondContact N-OH 2.88Å; T187-Y319 HydrophobicContact CG2-CE2 4.02Å; T187-Y319 WeakPolarHBondContact OG1-CE2 3.41Å; V315-Y319 HydrophobicContact CG1-CD2 4.31Å; V315-Y319 WeakPolarHBondContact O-CB 3.5Å; V315-Y319 VanDerWaalsContact O-CD2 3.24Å; V315-Y319 WeakPolarHBondContact O-CD2 3.29Å; V315-Y319 PolarHBondContact O-N 3.01Å; V315-Y319 VanDerWaalsContact O-N 3.13Å; L317-Y319 VanDerWaalsContact C-N 3.29Å; L317-Y319 PolarHBondContact O-N 3.26Å
320	L	97.7	Very high	97.7	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-95	-22.2	-175.7	-56.6	-171.7	0	0	0	113.3	V57 F60 W316 T322 L323 F434	V57-L320 HydrophobicContact CG2-CD1 3.93Å; V57-L320 HydrophobicContact CG2-CD2 4.21Å; V57-L320 HydrophobicContact CG2-CG 4.02Å; F60-L320 HydrophobicContact CB-CD2 4.27Å; F60-L320 HydrophobicContact CD2-CD2 4.01Å; F60-L320 HydrophobicContact CG-CD2 4.34Å; W316-L320 HydrophobicContact CD2-CD1 3.44Å; W316-L320 VanDerWaalsContact CD2-CD1 3.44Å; W316-L320 HydrophobicContact CD2-CG 4.36Å; W316-L320 VanDerWaalsContact CE2-CD1 3.45Å; W316-L320 HydrophobicContact CE3-CD1 3.44Å; W316-L320 VanDerWaalsContact CE3-CD1 3.44Å; W316-L320 HydrophobicContact CG-CD1 4.17Å; W316-L320 HydrophobicContact CH2-CD1 3.55Å; W316-L320 HydrophobicContact CZ2-CD1 3.52Å; W316-L320 HydrophobicContact CZ3-CD1 3.5Å; W316-L320 VanDerWaalsContact O-CB 3.29Å; W316-L320 WeakPolarHBondContact O-CB 3.48Å; W316-L320 PolarHBondContact O-N 3.42Å; L320-T322 VanDerWaalsContact C-N 3.31Å; L320-L323 HydrophobicContact CB-CD1 4.28Å; L320-L323 HydrophobicContact CD2-CD1 4.04Å; L320-L323 HydrophobicContact CD2-CD2 4.27Å; L320-L323 HydrophobicContact CD2-CG 4.37Å; L320-L323 WeakPolarHBondContact O-CD1 3.28Å; L320-L323 WeakPolarHBondContact O-CG 3.41Å; L320-F434 HydrophobicContact CB-CE1 4.15Å; L320-F434 HydrophobicContact CD1-CE1 3.63Å; L320-F434 HydrophobicContact CD1-CZ 4.02Å; L320-F434 HydrophobicContact CG-CE1 4.36Å
321	Y	97.9	Very high	97.8	Very high	28 Å²	28	11.1 Å²	11.1	11%	0.11	5%	0.052	C	C	.	.	S	Bend	trans	-82.4	-15.5	177.1	-71	35.7	0	0	0	112.2	W251 Q280 W316 L317 Q324 Y435 Y438	W251-Y321 HydrophobicContact CE3-CD2 4.25Å; W251-Y321 AromaticContact CH2-CD2 3.8Å; W251-Y321 HydrophobicContact CH2-CD2 3.8Å; W251-Y321 HydrophobicContact CZ2-CD2 4.12Å; W251-Y321 AromaticContact CZ3-CD2 3.87Å; W251-Y321 HydrophobicContact CZ3-CD2 3.87Å; W251-Y321 PolarHBondContact NE1-O 3.31Å; Q280-Y321 PolarHBondContact NE2-O 3.47Å; Q280-Y321 VanDerWaalsContact NE2-O 3.14Å; W316-Y321 AromaticContact CD1-CE1 3.94Å; L317-Y321 HydrophobicContact CB-CD1 4.44Å; L317-Y321 HydrophobicContact CG-CD1 4.43Å; L317-Y321 HydrophobicContact CG-CD2 4.02Å; L317-Y321 HydrophobicContact CG-CE2 4.27Å; L317-Y321 HydrophobicContact CG-CG 4.13Å; L317-Y321 WeakPolarHBondContact O-CB 3.45Å; L317-Y321 PolarHBondContact O-N 2.75Å; L317-Y321 VanDerWaalsContact O-N 3.07Å; Y321-Q324 PolarHBondContact O-OE1 3.3Å; Y321-Q324 VanDerWaalsContact O-OE1 3.1Å; Y321-Y435 HydrophobicContact CD1-CD2 4.29Å; Y321-Y435 AromaticContact CD1-CE2 3.74Å; Y321-Y435 HydrophobicContact CD1-CE2 3.74Å; Y321-Y435 AromaticContact CD2-CE2 3.67Å; Y321-Y435 HydrophobicContact CD2-CE2 3.67Å; Y321-Y435 HydrophobicContact CE1-CE2 4.08Å; Y321-Y435 HydrophobicContact CE2-CE2 4.01Å; Y321-Y435 HydrophobicContact CG-CD2 4.32Å; Y321-Y435 AromaticContact CG-CE2 3.51Å; Y321-Y435 HydrophobicContact CG-CE2 3.51Å; Y321-Y438 HydrophobicContact CE1-CD1 4.31Å; Y321-Y438 AromaticContact CE1-CE1 3.6Å; Y321-Y438 HydrophobicContact CE1-CE1 3.6Å; Y321-Y438 AromaticContact CZ-CE1 3.89Å; Y321-Y438 WeakPolarHBondContact OH-CE1 3.46Å
322	T	98.4	Very high	97.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-104.6	5.1	-178.6	59	0	0	0	0	112.9	W251 I254 P318 L320 Q324 G325 L326	W251-T322 HydrophobicContact CG-CG2 4.3Å; I254-T322 HydrophobicContact CB-CG2 4.09Å; I254-T322 HydrophobicContact CD1-CG2 4.41Å; I254-T322 HydrophobicContact CG2-CG2 3.77Å; P318-T322 WeakPolarHBondContact O-CB 3.12Å; P318-T322 VanDerWaalsContact O-CG2 3.27Å; P318-T322 WeakPolarHBondContact O-CG2 3.32Å; P318-T322 PolarHBondContact O-OG1 3.17Å; L320-T322 VanDerWaalsContact C-N 3.31Å; T322-Q324 PolarHBondContact O-N 3.49Å; T322-Q324 VanDerWaalsContact O-N 3.1Å; T322-G325 PolarHBondContact O-N 3.46Å; T322-L326 PolarHBondContact O-N 3.33Å
323	L	98.2	Very high	97.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-55	-33.5	-177.3	-72.7	168.7	0	0	0	113.3	F60 L320 L326 Y327 L431 F434	F60-L323 HydrophobicContact CB-CD2 4.21Å; F60-L323 HydrophobicContact CD2-CD1 3.6Å; F60-L323 HydrophobicContact CD2-CD2 4.03Å; F60-L323 HydrophobicContact CD2-CG 4.48Å; F60-L323 HydrophobicContact CE2-CD1 3.98Å; L320-L323 HydrophobicContact CB-CD1 4.28Å; L320-L323 HydrophobicContact CD2-CD1 4.04Å; L320-L323 HydrophobicContact CD2-CD2 4.27Å; L320-L323 HydrophobicContact CD2-CG 4.37Å; L320-L323 WeakPolarHBondContact O-CD1 3.28Å; L320-L323 WeakPolarHBondContact O-CG 3.41Å; L323-L326 PolarHBondContact O-N 3.4Å; L323-Y327 WeakPolarHBondContact O-CB 3.3Å; L323-Y327 PolarHBondContact O-N 2.85Å; L323-L431 HydrophobicContact CB-CD2 4.14Å; L323-L431 HydrophobicContact CD2-CD2 4.14Å; L323-F434 HydrophobicContact CD1-CB 4.5Å; L323-F434 HydrophobicContact CD1-CD1 3.91Å
324	Q	98.6	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-46.4	178.2	-61	85	-8.6	0	0	110.6	V276 Y321 T322 L328 C425 P432	V276-Q324 HydrophobicContact CG1-CB 3.97Å; V276-Q324 HydrophobicContact CG2-CB 4.08Å; Y321-Q324 PolarHBondContact O-OE1 3.3Å; Y321-Q324 VanDerWaalsContact O-OE1 3.1Å; T322-Q324 PolarHBondContact O-N 3.49Å; T322-Q324 VanDerWaalsContact O-N 3.1Å; Q324-L328 WeakPolarHBondContact O-CB 3.34Å; Q324-L328 VanDerWaalsContact O-CG 3.22Å; Q324-L328 WeakPolarHBondContact O-CG 3.49Å; Q324-L328 PolarHBondContact O-N 3.45Å; Q324-C425 VanDerWaalsContact CB-SG 3.53Å; Q324-P432 HydrophobicContact CG-CB 4.29Å
325	G	98.4	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.3	-44.3	175.1	0	0	0	0	0	111.4	M273 T322 Y327 L328 V329	M273-G325 WeakPolarHBondContact CE-O 3.37Å; T322-G325 PolarHBondContact O-N 3.46Å; G325-Y327 PolarHBondContact O-N 2.88Å; G325-L328 PolarHBondContact O-N 3.24Å; G325-V329 PolarHBondContact O-N 3.21Å
326	L	98.5	Very high	97.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-49.3	176.5	-177.6	63.6	0	0	0	111.1	C64 F177 Y258 T322 L323 L328 V329 Y330	C64-L326 HydrophobicContact CB-CD2 3.96Å; C64-L326 HydrophobicContact CB-CG 4.21Å; F177-L326 HydrophobicContact CD2-CD1 4.28Å; F177-L326 HydrophobicContact CE2-CD1 3.87Å; Y258-L326 HydrophobicContact CD2-CB 4.47Å; Y258-L326 VanDerWaalsContact CD2-N 3.29Å; Y258-L326 HydrophobicContact CE1-CD1 4.12Å; Y258-L326 HydrophobicContact CE2-CB 3.74Å; Y258-L326 VanDerWaalsContact CE2-N 3.3Å; T322-L326 PolarHBondContact O-N 3.33Å; L323-L326 PolarHBondContact O-N 3.4Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 3.42Å; L326-V329 PolarHBondContact O-N 2.93Å; L326-V329 VanDerWaalsContact O-N 3.15Å; L326-Y330 HydrophobicContact CD1-CD2 4.45Å; L326-Y330 HydrophobicContact CD1-CE2 3.83Å; L326-Y330 HydrophobicContact CG-CE2 4.3Å; L326-Y330 WeakPolarHBondContact O-CD2 3.38Å
327	Y	98.6	Very high	97.9	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-54.7	-46.5	176.7	171.2	-100.9	0	0	0	111.7	C69 L323 G325 V329 Y330 H331 V333 C425 H429 P432	C69-Y327 HydrophobicContact CB-CD2 3.63Å; C69-Y327 HydrophobicContact CB-CE2 4.22Å; L323-Y327 WeakPolarHBondContact O-CB 3.3Å; L323-Y327 PolarHBondContact O-N 2.85Å; G325-Y327 PolarHBondContact O-N 2.88Å; Y327-V329 PolarHBondContact O-N 3.01Å; Y327-Y330 PolarHBondContact O-N 2.75Å; Y327-Y330 VanDerWaalsContact O-N 3.1Å; Y327-H331 HydrophobicContact CD1-CB 4.41Å; Y327-H331 HydrophobicContact CD2-CB 4.35Å; Y327-H331 AromaticContact CD2-CD2 3.72Å; Y327-H331 HydrophobicContact CE1-CB 3.88Å; Y327-H331 HydrophobicContact CE2-CB 3.78Å; Y327-H331 AromaticContact CE2-CD2 3.27Å; Y327-H331 WeakPolarHBondContact CE2-CD2 3.38Å; Y327-H331 AromaticContact CE2-CG 3.6Å; Y327-H331 AromaticContact CZ-CD2 3.93Å; Y327-H331 AromaticContact CZ-CG 3.75Å; Y327-H331 PolarHBondContact O-N 3.06Å; Y327-V333 HydrophobicContact CE1-CG2 4.22Å; Y327-C425 HydrophobicContact CD1-CB 3.62Å; Y327-C425 HydrophobicContact CE1-CB 3.72Å; Y327-C425 WeakPolarHBondContact CE1-O 3.47Å; Y327-H429 HydrophobicContact CD2-CB 4.39Å; Y327-H429 HydrophobicContact CE2-CB 3.64Å; Y327-H429 AromaticContact CE2-CD2 3.68Å; Y327-H429 AromaticContact CE2-CG 3.56Å; Y327-H429 AromaticContact CZ-CD2 3.95Å; Y327-H429 PolarHBondContact OH-CD2 2.94Å; Y327-P432 HydrophobicContact CD1-CG 3.71Å; Y327-P432 HydrophobicContact CD2-CG 4Å; Y327-P432 HydrophobicContact CE1-CG 4.22Å; Y327-P432 HydrophobicContact CG-CG 3.59Å
328	L	98.6	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-20.7	-177.5	-71.3	173.1	0	0	0	113.6	Q262 S272 M273 V276 Q324 G325 L326 H331 V333	Q262-L328 PolarHBondContact NE2-O 3.02Å; S272-L328 WeakPolarHBondContact OG-CD2 3.36Å; M273-L328 HydrophobicContact CB-CD1 4.33Å; M273-L328 HydrophobicContact CE-CB 3.56Å; M273-L328 HydrophobicContact SD-CB 4.35Å; V276-L328 HydrophobicContact CB-CD1 4.49Å; V276-L328 HydrophobicContact CG2-CD1 3.81Å; Q324-L328 WeakPolarHBondContact O-CB 3.34Å; Q324-L328 VanDerWaalsContact O-CG 3.22Å; Q324-L328 WeakPolarHBondContact O-CG 3.49Å; Q324-L328 PolarHBondContact O-N 3.45Å; G325-L328 PolarHBondContact O-N 3.24Å; L326-L328 VanDerWaalsContact C-N 3.31Å; L326-L328 PolarHBondContact O-N 3.42Å; L328-H331 WeakPolarHBondContact CA-O 3.46Å; L328-H331 CarbonylContact O-C 3.51Å; L328-V333 HydrophobicContact CD2-CB 3.91Å; L328-V333 HydrophobicContact CD2-CG2 4.06Å
329	V	98.3	Very high	98	Very high	1 Å²	1	36 Å²	36	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-43.5	170	-177.4	0	0	0	0	110.9	F177 Y258 K261 L265 Y266 M273 G325 L326 Y327	F177-V329 HydrophobicContact CD2-CB 4.45Å; F177-V329 HydrophobicContact CD2-CG1 4.19Å; F177-V329 HydrophobicContact CD2-CG2 4.18Å; F177-V329 HydrophobicContact CE1-CG1 4.31Å; F177-V329 HydrophobicContact CE2-CB 3.8Å; F177-V329 HydrophobicContact CE2-CG1 3.5Å; F177-V329 VanDerWaalsContact CE2-CG1 3.5Å; F177-V329 HydrophobicContact CE2-CG2 4.01Å; F177-V329 HydrophobicContact CZ-CB 4.31Å; F177-V329 HydrophobicContact CZ-CG1 3.57Å; Y258-V329 HydrophobicContact CD1-CG2 4.4Å; Y258-V329 HydrophobicContact CG-CG2 4.15Å; Y258-V329 WeakPolarHBondContact O-CG2 3.2Å; K261-V329 HydrophobicContact CB-CG1 4.18Å; K261-V329 HydrophobicContact CG-CG1 3.79Å; L265-V329 HydrophobicContact CD1-CG1 3.83Å; Y266-V329 WeakPolarHBondContact CE2-O 3.27Å; Y266-V329 PolarHBondContact OH-O 2.95Å; M273-V329 HydrophobicContact CE-CG2 3.92Å; G325-V329 PolarHBondContact O-N 3.21Å; L326-V329 PolarHBondContact O-N 2.93Å; L326-V329 VanDerWaalsContact O-N 3.15Å; Y327-V329 PolarHBondContact O-N 3.01Å
330	Y	97.8	Very high	98	Very high	67 Å²	67	36.6 Å²	36.6	26%	0.263	20%	0.2	S	C	.	.	H	α-helix	trans	-79	-27	178.1	-67	-85.2	0	0	0	112.6	C64 D65 F177 L326 Y327	C64-Y330 HydrophobicContact CB-CD2 4.24Å; C64-Y330 HydrophobicContact CB-CE2 4.11Å; D65-Y330 PolarHBondContact OD1-OH 2.63Å; F177-Y330 HydrophobicContact CE2-CE2 4.01Å; F177-Y330 AromaticContact CZ-CE2 4Å; F177-Y330 HydrophobicContact CZ-CE2 4Å; F177-Y330 AromaticContact CZ-CZ 3.92Å; L326-Y330 HydrophobicContact CD1-CD2 4.45Å; L326-Y330 HydrophobicContact CD1-CE2 3.83Å; L326-Y330 HydrophobicContact CG-CE2 4.3Å; L326-Y330 WeakPolarHBondContact O-CD2 3.38Å; Y327-Y330 PolarHBondContact O-N 2.75Å; Y327-Y330 VanDerWaalsContact O-N 3.1Å
331	H	97.4	Very high	98.1	Very high	38 Å²	38	41.3 Å²	41.3	18%	0.176	23%	0.225	C	C	.	.	S	Bend	trans	-129.9	84.8	-178.1	-69.2	-80.6	0	0	0	110.7	E68 Y327 L328 V333 H429	E68-H331 PolarHBondContact O-NE2 3.23Å; Y327-H331 HydrophobicContact CD1-CB 4.41Å; Y327-H331 HydrophobicContact CD2-CB 4.35Å; Y327-H331 AromaticContact CD2-CD2 3.72Å; Y327-H331 HydrophobicContact CE1-CB 3.88Å; Y327-H331 HydrophobicContact CE2-CB 3.78Å; Y327-H331 AromaticContact CE2-CD2 3.27Å; Y327-H331 WeakPolarHBondContact CE2-CD2 3.38Å; Y327-H331 AromaticContact CE2-CG 3.6Å; Y327-H331 AromaticContact CZ-CD2 3.93Å; Y327-H331 AromaticContact CZ-CG 3.75Å; Y327-H331 PolarHBondContact O-N 3.06Å; L328-H331 WeakPolarHBondContact CA-O 3.46Å; L328-H331 CarbonylContact O-C 3.51Å; H331-V333 PolarHBondContact O-N 2.75Å; H331-H429 AromaticContact CE1-NE2 3.72Å; H331-H429 AromaticContact NE2-CE1 3.89Å; H331-H429 AromaticContact NE2-NE2 3.83Å
332	P	96.6	Very high	98.1	Very high	52 Å²	52	42.7 Å²	42.7	34%	0.338	24%	0.242	S	C	.	.			trans	-67	99.5	176.8	27.3	-33.8	0	0	0	110.4	Y266 T270	Y266-P332 HydrophobicContact CD1-CG 4.23Å; Y266-P332 HydrophobicContact CD2-CB 4.29Å; Y266-P332 HydrophobicContact CD2-CG 4.25Å; Y266-P332 HydrophobicContact CE1-CG 3.93Å; Y266-P332 HydrophobicContact CE2-CB 4.25Å; Y266-P332 HydrophobicContact CE2-CG 3.97Å; Y266-P332 HydrophobicContact CG-CG 4.38Å; T270-P332 HydrophobicContact CG2-CB 3.72Å
333	V	97.6	Very high	98.1	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.206	25%	0.246	C	C	.	.			trans	-93.1	115.3	179.7	177.5	0	0	0	0	110.2	T270 S272 Y327 L328 H331 L335	T270-V333 WeakPolarHBondContact CB-O 3.14Å; S272-V333 VanDerWaalsContact CB-O 3.25Å; S272-V333 WeakPolarHBondContact CB-O 3.18Å; S272-V333 PolarHBondContact OG-O 2.77Å; Y327-V333 HydrophobicContact CE1-CG2 4.22Å; L328-V333 HydrophobicContact CD2-CB 3.91Å; L328-V333 HydrophobicContact CD2-CG2 4.06Å; H331-V333 PolarHBondContact O-N 2.75Å; V333-L335 HydrophobicContact CG1-CD2 3.86Å; V333-L335 HydrophobicContact CG1-CG 4.36Å
334	Q	97.9	Very high	98.1	Very high	121 Å²	121	45.8 Å²	45.8	57%	0.565	26%	0.259	S	S	*	.			trans	-93.1	112.2	168.4	-170.9	66.3	11.9	0	0	109.9	N271	N271-Q334 VanDerWaalsContact N-OE1 3.07Å; N271-Q334 PolarHBondContact ND2-NE2 3.24Å
335	L	97.9	Very high	98.1	Very high	19 Å²	19	50.1 Å²	50.1	10%	0.099	28%	0.281	C	S	.	.			trans	-79.4	147	178.2	-60.9	172.6	0	0	0	110.5	N271 L275 V333 H339 A340	N271-L335 PolarHBondContact ND2-O 3.49Å; N271-L335 PolarHBondContact OD1-N 2.9Å; L275-L335 HydrophobicContact CD1-CD1 4.07Å; V333-L335 HydrophobicContact CG1-CD2 3.86Å; V333-L335 HydrophobicContact CG1-CG 4.36Å; L335-H339 HydrophobicContact CB-CB 4.4Å; L335-A340 HydrophobicContact CB-CB 4.22Å
336	S	98.1	Very high	98.1	Very high	62 Å²	62	52.5 Å²	52.5	43%	0.434	29%	0.294	S	S	.	.			trans	-62.7	152.2	163.6	69.5	0	0	0	0	110.5	A338 H339 A340	S336-A338 VanDerWaalsContact C-N 3.25Å; S336-A338 PolarHBondContact O-N 2.9Å; S336-H339 PolarHBondContact O-N 3.41Å; S336-H339 PolarHBondContact OG-N 3.44Å; S336-H339 PolarHBondContact OG-ND1 3.48Å; S336-A340 PolarHBondContact O-N 3.27Å
337	D	97.8	Very high	98.1	Very high	136 Å²	136	52.6 Å²	52.6	73%	0.727	30%	0.295	S	S	*	.	H	α-helix	trans	-54.8	-39.2	-178.8	-61.7	-18.3	0	0	0	113.3	A340 L341	D337-A340 PolarHBondContact O-N 2.83Å; D337-L341 VanDerWaalsContact O-CB 3.27Å; D337-L341 WeakPolarHBondContact O-CB 3.4Å; D337-L341 PolarHBondContact O-N 3.09Å
338	A	98.2	Very high	98.1	Very high	72 Å²	72	55.5 Å²	55.5	60%	0.595	31%	0.311	S	S	*	.	H	α-helix	trans	-64	-43.9	177.8	0	0	0	0	0	112.4	S336 A342	S336-A338 VanDerWaalsContact C-N 3.25Å; S336-A338 PolarHBondContact O-N 2.9Å; A338-A342 WeakPolarHBondContact O-CB 3.46Å; A338-A342 PolarHBondContact O-N 2.85Å
339	H	97.9	Very high	98.1	Very high	113 Å²	113	58.6 Å²	58.6	52%	0.523	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-44.4	176.5	-74.5	80.7	0	0	0	111.1	L335 S336 L341 A342 V343	L335-H339 HydrophobicContact CB-CB 4.4Å; S336-H339 PolarHBondContact O-N 3.41Å; S336-H339 PolarHBondContact OG-N 3.44Å; S336-H339 PolarHBondContact OG-ND1 3.48Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 3.36Å; H339-A342 PolarHBondContact O-N 3.09Å; H339-V343 WeakPolarHBondContact O-CG2 3.35Å; H339-V343 PolarHBondContact O-N 2.97Å
340	A	98.4	Very high	98.1	Very high	14 Å²	14	58.6 Å²	58.6	12%	0.116	33%	0.33	C	S	.	.	H	α-helix	trans	-58.9	-44.8	176.4	0	0	0	0	0	111.8	L275 L335 S336 D337 V343 L344	L275-A340 HydrophobicContact CD1-CB 3.91Å; L335-A340 HydrophobicContact CB-CB 4.22Å; S336-A340 PolarHBondContact O-N 3.27Å; D337-A340 PolarHBondContact O-N 2.83Å; A340-V343 PolarHBondContact O-N 3.05Å; A340-L344 WeakPolarHBondContact O-CB 3.47Å; A340-L344 PolarHBondContact O-N 3.1Å
341	L	98.3	Very high	98.1	Very high	100 Å²	100	58.9 Å²	58.9	52%	0.524	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-43.5	176.2	-179.9	61.6	0	0	0	111.9	D337 H339 V343 L344 L345	D337-L341 VanDerWaalsContact O-CB 3.27Å; D337-L341 WeakPolarHBondContact O-CB 3.4Å; D337-L341 PolarHBondContact O-N 3.09Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 PolarHBondContact O-N 3.36Å; L341-V343 PolarHBondContact O-N 2.98Å; L341-L344 PolarHBondContact O-N 3.39Å; L341-L345 HydrophobicContact CD1-CD1 4.15Å; L341-L345 HydrophobicContact CD1-CG 4.11Å; L341-L345 HydrophobicContact CG-CD1 4.03Å; L341-L345 HydrophobicContact CG-CG 4.4Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 VanDerWaalsContact O-CG 3.28Å; L341-L345 WeakPolarHBondContact O-CG 3.44Å; L341-L345 PolarHBondContact O-N 3.26Å
342	A	98.6	Very high	98.2	Very high	57 Å²	57	63.5 Å²	63.5	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-43.6	177.8	0	0	0	0	0	112	A338 H339 L345 L346	A338-A342 WeakPolarHBondContact O-CB 3.46Å; A338-A342 PolarHBondContact O-N 2.85Å; H339-A342 PolarHBondContact O-N 3.09Å; A342-L345 PolarHBondContact O-N 3.07Å; A342-L346 WeakPolarHBondContact O-CB 3.28Å; A342-L346 PolarHBondContact O-N 2.79Å
343	V	98.6	Very high	98.2	Very high	13 Å²	13	61.9 Å²	61.9	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-45.6	176.1	170.4	0	0	0	0	111.2	L275 L279 H339 A340 L341 L345 L346 G347 A420 A423 A424	L275-V343 HydrophobicContact CD1-CG1 4.37Å; L279-V343 HydrophobicContact CD1-CG1 4.26Å; H339-V343 WeakPolarHBondContact O-CG2 3.35Å; H339-V343 PolarHBondContact O-N 2.97Å; A340-V343 PolarHBondContact O-N 3.05Å; L341-V343 PolarHBondContact O-N 2.98Å; V343-L345 PolarHBondContact O-N 2.88Å; V343-L346 PolarHBondContact O-N 3.21Å; V343-G347 PolarHBondContact O-N 2.85Å; V343-A420 HydrophobicContact CG1-CB 4.33Å; V343-A420 VanDerWaalsContact CG1-O 3.31Å; V343-A420 WeakPolarHBondContact CG1-O 3.27Å; V343-A423 HydrophobicContact CG2-CB 3.92Å; V343-A424 HydrophobicContact CG1-CB 4.04Å
344	L	98.5	Very high	98.2	Very high	52 Å²	52	61.5 Å²	61.5	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-47.6	176.8	-179.6	62.5	0	0	0	111.4	L275 L279 A340 L341 G347 L348	L275-L344 HydrophobicContact CD2-CB 3.94Å; L275-L344 HydrophobicContact CD2-CD1 4.02Å; L275-L344 HydrophobicContact CD2-CG 4.43Å; L279-L344 HydrophobicContact CD2-CD1 4.19Å; A340-L344 WeakPolarHBondContact O-CB 3.47Å; A340-L344 PolarHBondContact O-N 3.1Å; L341-L344 PolarHBondContact O-N 3.39Å; L344-G347 PolarHBondContact O-N 3.25Å; L344-L348 HydrophobicContact CD1-CD1 3.9Å; L344-L348 HydrophobicContact CD1-CG 4.03Å; L344-L348 HydrophobicContact CG-CD1 3.92Å; L344-L348 HydrophobicContact CG-CG 4.36Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 VanDerWaalsContact O-CG 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.26Å; L344-L348 PolarHBondContact O-N 3.46Å
345	L	98.6	Very high	98.1	Very high	91 Å²	91	58.2 Å²	58.2	48%	0.476	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-43.1	178.1	-71.8	175	0	0	0	111.7	L341 A342 V343 G347 L348 V349	L341-L345 HydrophobicContact CD1-CD1 4.15Å; L341-L345 HydrophobicContact CD1-CG 4.11Å; L341-L345 HydrophobicContact CG-CD1 4.03Å; L341-L345 HydrophobicContact CG-CG 4.4Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 VanDerWaalsContact O-CG 3.28Å; L341-L345 WeakPolarHBondContact O-CG 3.44Å; L341-L345 PolarHBondContact O-N 3.26Å; A342-L345 PolarHBondContact O-N 3.07Å; V343-L345 PolarHBondContact O-N 2.88Å; L345-G347 VanDerWaalsContact C-N 3.33Å; L345-G347 PolarHBondContact O-N 3.31Å; L345-L348 PolarHBondContact O-N 3.27Å; L345-V349 VanDerWaalsContact O-CB 3.28Å; L345-V349 WeakPolarHBondContact O-CB 3.45Å; L345-V349 WeakPolarHBondContact O-CG2 3.46Å; L345-V349 PolarHBondContact O-N 3.46Å
346	L	98.7	Very high	98	Very high	50 Å²	50	58.3 Å²	58.3	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-57.8	-47.1	175.5	178.3	63.9	0	0	0	111.2	A342 V343 G350 M416 L419 A420	A342-L346 WeakPolarHBondContact O-CB 3.28Å; A342-L346 PolarHBondContact O-N 2.79Å; V343-L346 PolarHBondContact O-N 3.21Å; L346-G350 PolarHBondContact O-N 3.39Å; L346-M416 HydrophobicContact CD1-CB 4.11Å; L346-M416 HydrophobicContact CD1-CE 3.83Å; L346-M416 HydrophobicContact CD1-CG 4.31Å; L346-L419 HydrophobicContact CD2-CB 4.32Å; L346-L419 HydrophobicContact CD2-CD2 4.05Å; L346-L419 HydrophobicContact CD2-CG 3.99Å; L346-A420 HydrophobicContact CB-CB 4.3Å; L346-A420 HydrophobicContact CD2-CB 4.11Å; L346-A420 HydrophobicContact CG-CB 4.08Å
347	G	98.3	Very high	98	Very high	3 Å²	3	55.3 Å²	55.3	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-64.7	-46.5	178.7	0	0	0	0	0	113	V343 L344 L345 G350 Y351	V343-G347 PolarHBondContact O-N 2.85Å; L344-G347 PolarHBondContact O-N 3.25Å; L345-G347 VanDerWaalsContact C-N 3.33Å; L345-G347 PolarHBondContact O-N 3.31Å; G347-G350 PolarHBondContact O-N 3.04Å; G347-Y351 WeakPolarHBondContact O-CB 3.39Å; G347-Y351 PolarHBondContact O-N 3.43Å
348	L	98.5	Very high	97.8	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.366	26%	0.262	S	S	.	.	H	α-helix	trans	-68.8	-38.8	-179.8	-68.5	179.7	0	0	0	112.7	I282 L344 L345 Y351 Y352	I282-L348 HydrophobicContact CD1-CD2 3.93Å; L344-L348 HydrophobicContact CD1-CD1 3.9Å; L344-L348 HydrophobicContact CD1-CG 4.03Å; L344-L348 HydrophobicContact CG-CD1 3.92Å; L344-L348 HydrophobicContact CG-CG 4.36Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 VanDerWaalsContact O-CG 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.26Å; L344-L348 PolarHBondContact O-N 3.46Å; L345-L348 PolarHBondContact O-N 3.27Å; L348-Y351 PolarHBondContact O-N 2.69Å; L348-Y352 WeakPolarHBondContact O-CB 3.46Å; L348-Y352 PolarHBondContact O-N 2.86Å
349	V	98.6	Very high	97.5	Very high	66 Å²	66	50.6 Å²	50.6	40%	0.4	26%	0.257	S	S	.	.	H	α-helix	trans	-67.3	-42.3	174.1	174	0	0	0	0	110.2	L345 Y352 I353 M416	L345-V349 VanDerWaalsContact O-CB 3.28Å; L345-V349 WeakPolarHBondContact O-CB 3.45Å; L345-V349 WeakPolarHBondContact O-CG2 3.46Å; L345-V349 PolarHBondContact O-N 3.46Å; V349-Y352 PolarHBondContact O-N 3.29Å; V349-I353 HydrophobicContact CG1-CD1 3.89Å; V349-I353 HydrophobicContact CG1-CG1 4.45Å; V349-I353 WeakPolarHBondContact O-CG1 3.47Å; V349-I353 PolarHBondContact O-N 3.45Å; V349-M416 HydrophobicContact CB-CE 4.2Å; V349-M416 HydrophobicContact CG1-CE 3.73Å
350	G	98.4	Very high	97.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57	-49.6	173.5	0	0	0	0	0	112.1	L346 G347 Y352 I353 F354 G413	L346-G350 PolarHBondContact O-N 3.39Å; G347-G350 PolarHBondContact O-N 3.04Å; G350-Y352 PolarHBondContact O-N 2.83Å; G350-I353 PolarHBondContact O-N 3.47Å; G350-F354 WeakPolarHBondContact O-CB 3.42Å; G350-F354 PolarHBondContact O-N 3.47Å; G350-G413 CarbonylContact C-O 3.15Å; G350-G413 WeakPolarHBondContact CA-O 3.27Å; G350-G413 CarbonylContact O-C 3.32Å; G350-G413 VanDerWaalsContact O-CA 3.27Å; G350-G413 WeakPolarHBondContact O-CA 3.14Å
351	Y	98.1	Very high	97.2	Very high	73 Å²	73	46.5 Å²	46.5	29%	0.286	24%	0.235	S	C	.	.	H	α-helix	trans	-57	-48.9	174.2	172.7	-108.2	0	0	0	112.2	I282 D286 G347 L348 I353 F354 R355	I282-Y351 HydrophobicContact CG2-CD1 4.05Å; I282-Y351 HydrophobicContact CG2-CD2 3.76Å; I282-Y351 HydrophobicContact CG2-CE1 4.08Å; I282-Y351 HydrophobicContact CG2-CE2 3.8Å; I282-Y351 HydrophobicContact CG2-CG 3.89Å; D286-Y351 HydrophobicContact CB-CE2 3.7Å; D286-Y351 VanDerWaalsContact CG-CE2 3.41Å; D286-Y351 WeakPolarHBondContact OD1-CE2 3.37Å; D286-Y351 PolarHBondContact OD1-OH 2.87Å; G347-Y351 WeakPolarHBondContact O-CB 3.39Å; G347-Y351 PolarHBondContact O-N 3.43Å; L348-Y351 PolarHBondContact O-N 2.69Å; Y351-I353 VanDerWaalsContact C-N 3.34Å; Y351-I353 PolarHBondContact O-N 3.39Å; Y351-F354 PolarHBondContact O-N 2.84Å; Y351-R355 HydrophobicContact CE2-CB 4.17Å; Y351-R355 VanDerWaalsContact O-CB 3.29Å; Y351-R355 WeakPolarHBondContact O-CB 3.39Å; Y351-R355 PolarHBondContact O-N 3.5Å
352	Y	98.1	Very high	96.8	Very high	136 Å²	136	43 Å²	43	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-57.4	-46.6	177.7	171.1	-99.9	0	0	0	111.6	L348 V349 G350 S356 F402	L348-Y352 WeakPolarHBondContact O-CB 3.46Å; L348-Y352 PolarHBondContact O-N 2.86Å; V349-Y352 PolarHBondContact O-N 3.29Å; G350-Y352 PolarHBondContact O-N 2.83Å; Y352-S356 WeakPolarHBondContact O-CA 3.2Å; Y352-S356 WeakPolarHBondContact O-CB 3.37Å; Y352-S356 PolarHBondContact O-N 3.34Å; Y352-F402 HydrophobicContact CE1-CE2 4.28Å; Y352-F402 HydrophobicContact CE1-CZ 4.05Å
353	I	98.3	Very high	96.5	Very high	18 Å²	18	43 Å²	43	9%	0.092	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-49.4	177.8	-71.9	168.9	0	0	0	110.3	V349 G350 Y351 R355 T357 F402 F409 M416	V349-I353 HydrophobicContact CG1-CD1 3.89Å; V349-I353 HydrophobicContact CG1-CG1 4.45Å; V349-I353 WeakPolarHBondContact O-CG1 3.47Å; V349-I353 PolarHBondContact O-N 3.45Å; G350-I353 PolarHBondContact O-N 3.47Å; Y351-I353 VanDerWaalsContact C-N 3.34Å; Y351-I353 PolarHBondContact O-N 3.39Å; I353-R355 PolarHBondContact O-N 2.95Å; I353-T357 WeakPolarHBondContact O-CB 3.49Å; I353-T357 PolarHBondContact O-N 3.05Å; I353-T357 PolarHBondContact O-OG1 3.14Å; I353-F402 HydrophobicContact CG1-CE1 4.39Å; I353-F402 HydrophobicContact CG1-CZ 4.31Å; I353-F409 HydrophobicContact CB-CE1 4.48Å; I353-F409 HydrophobicContact CD1-CE1 4.07Å; I353-F409 HydrophobicContact CG1-CE1 4.2Å; I353-F409 HydrophobicContact CG2-CD1 3.41Å; I353-F409 VanDerWaalsContact CG2-CD1 3.41Å; I353-F409 HydrophobicContact CG2-CE1 3.45Å; I353-F409 VanDerWaalsContact CG2-CE1 3.45Å; I353-F409 HydrophobicContact CG2-CG 4.43Å; I353-F409 HydrophobicContact CG2-CZ 4.5Å; I353-F409 WeakPolarHBondContact CG2-O 3.28Å; I353-M416 HydrophobicContact CD1-CE 4.25Å; I353-M416 HydrophobicContact CD1-SD 3.74Å
354	F	97.2	Very high	96.4	Very high	25 Å²	25	42.6 Å²	42.6	11%	0.11	21%	0.206	C	C	.	.	H	α-helix	trans	-56.7	-53.1	179.3	169.5	-97.7	0	0	0	111.7	G350 Y351 N358 N410 D414	G350-F354 WeakPolarHBondContact O-CB 3.42Å; G350-F354 PolarHBondContact O-N 3.47Å; Y351-F354 PolarHBondContact O-N 2.84Å; F354-N358 PolarHBondContact O-N 3.25Å; F354-N358 PolarHBondContact O-ND2 3.46Å; F354-N410 HydrophobicContact CD2-CB 4.47Å; F354-N410 WeakPolarHBondContact CD2-O 3.45Å; F354-D414 HydrophobicContact CD2-CB 4.08Å
355	R	95.4	Very high	96	Very high	52 Å²	52	47.1 Å²	47.1	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-47.9	-176.1	175.8	46.9	54.7	179.4	-0.5	111.7	D286 N290 Y351 I353 T357 N358 H359	D286-R355 IonicContact OD1-CZ 2.7Å; D286-R355 IonicContact OD1-NE 3.31Å; D286-R355 PolarHBondContact OD1-NE 3.28Å; D286-R355 IonicContact OD1-NH2 3.77Å; D286-R355 PolarHBondContact OD1-NH2 2.89Å; D286-R355 IonicContact OD2-CZ 3.69Å; D286-R355 VanDerWaalsContact OD2-CZ 3.31Å; D286-R355 IonicContact OD2-NE 3.51Å; D286-R355 PolarHBondContact OD2-NE 2.85Å; D286-R355 IonicContact OD2-NH2 3.74Å; D286-R355 PolarHBondContact OD2-NH2 3.3Å; N290-R355 VanDerWaalsContact CG-CZ 3.47Å; N290-R355 VanDerWaalsContact CG-NH2 3.28Å; N290-R355 PolarHBondContact ND2-NH1 2.89Å; N290-R355 VanDerWaalsContact ND2-NH1 3.13Å; N290-R355 PolarHBondContact ND2-NH2 3.28Å; N290-R355 PolarHBondContact OD1-NH1 3.08Å; Y351-R355 HydrophobicContact CE2-CB 4.17Å; Y351-R355 VanDerWaalsContact O-CB 3.29Å; Y351-R355 WeakPolarHBondContact O-CB 3.39Å; Y351-R355 PolarHBondContact O-N 3.5Å; I353-R355 PolarHBondContact O-N 2.95Å; R355-T357 PolarHBondContact O-N 3.35Å; R355-N358 PolarHBondContact O-N 3.4Å; R355-H359 WeakPolarHBondContact O-CB 3.23Å; R355-H359 PolarHBondContact O-N 2.89Å
356	S	96.6	Very high	95.5	Very high	21 Å²	21	50.7 Å²	50.7	15%	0.147	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-41.7	-179.9	-171.7	0	0	0	0	111.6	Y352 H359 Q360	Y352-S356 WeakPolarHBondContact O-CA 3.2Å; Y352-S356 WeakPolarHBondContact O-CB 3.37Å; Y352-S356 PolarHBondContact O-N 3.34Å; S356-H359 PolarHBondContact O-N 3.03Å; S356-Q360 VanDerWaalsContact O-CG 3.29Å; S356-Q360 WeakPolarHBondContact O-CG 3.34Å; S356-Q360 PolarHBondContact O-N 2.92Å
357	T	96.6	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-47.2	176.1	-55.1	0	0	0	0	111.1	I353 R355 H359 Q360 K361 F402 W403 F409 N410	I353-T357 WeakPolarHBondContact O-CB 3.49Å; I353-T357 PolarHBondContact O-N 3.05Å; I353-T357 PolarHBondContact O-OG1 3.14Å; R355-T357 PolarHBondContact O-N 3.35Å; T357-H359 PolarHBondContact O-N 2.84Å; T357-Q360 PolarHBondContact O-N 3.49Å; T357-K361 PolarHBondContact O-N 3.02Å; T357-F402 HydrophobicContact CG2-CB 3.76Å; T357-F402 WeakPolarHBondContact OG1-CB 3.12Å; T357-F402 WeakPolarHBondContact OG1-CD2 3.26Å; T357-F402 VanDerWaalsContact OG1-CG 3.31Å; T357-F402 WeakPolarHBondContact OG1-CG 3.3Å; T357-W403 HydrophobicContact CG2-CD2 4.25Å; T357-W403 HydrophobicContact CG2-CG 4.44Å; T357-W403 HydrophobicContact CG2-CZ2 3.84Å; T357-W403 PolarHBondContact O-NE1 3.3Å; T357-F409 HydrophobicContact CG2-CB 4.49Å; T357-N410 HydrophobicContact CG2-CB 3.74Å
358	N	93.9	Very high	94.9	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.032	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-40.1	177.1	-80	-59.6	0	0	0	112.7	F354 R355 K361 D362	F354-N358 PolarHBondContact O-N 3.25Å; F354-N358 PolarHBondContact O-ND2 3.46Å; R355-N358 PolarHBondContact O-N 3.4Å; N358-K361 PolarHBondContact O-N 2.8Å; N358-K361 PolarHBondContact OD1-NZ 2.81Å; N358-D362 PolarHBondContact O-N 3.12Å
359	H	93	Very high	94.6	Very high	102 Å²	102	54.6 Å²	54.6	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-42.8	176.2	179.6	71.4	0	0	0	112.1	R355 S356 T357 K361 D362 L363	R355-H359 WeakPolarHBondContact O-CB 3.23Å; R355-H359 PolarHBondContact O-N 2.89Å; S356-H359 PolarHBondContact O-N 3.03Å; T357-H359 PolarHBondContact O-N 2.84Å; H359-K361 VanDerWaalsContact C-N 3.31Å; H359-K361 PolarHBondContact O-N 3.09Å; H359-D362 PolarHBondContact O-N 3.08Å; H359-L363 VanDerWaalsContact O-CB 3.3Å; H359-L363 WeakPolarHBondContact O-CB 3.44Å; H359-L363 PolarHBondContact O-N 3.46Å
360	Q	96.1	Very high	94.3	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-44	175.6	-76.3	175.5	11.2	0	0	112.1	S356 T357 F364 I373 L398	S356-Q360 VanDerWaalsContact O-CG 3.29Å; S356-Q360 WeakPolarHBondContact O-CG 3.34Å; S356-Q360 PolarHBondContact O-N 2.92Å; T357-Q360 PolarHBondContact O-N 3.49Å; Q360-F364 WeakPolarHBondContact O-CB 3.22Å; Q360-F364 PolarHBondContact O-N 3.33Å; Q360-I373 HydrophobicContact CB-CD1 4.29Å; Q360-I373 HydrophobicContact CG-CG2 4.08Å; Q360-L398 HydrophobicContact CB-CD2 4.43Å
361	K	93.1	Very high	94.1	Very high	31 Å²	31	56.9 Å²	56.9	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-44.8	175.9	172.7	179.6	65.3	-164.4	0	111.9	T357 N358 H359 R365 W403	T357-K361 PolarHBondContact O-N 3.02Å; N358-K361 PolarHBondContact O-N 2.8Å; N358-K361 PolarHBondContact OD1-NZ 2.81Å; H359-K361 VanDerWaalsContact C-N 3.31Å; H359-K361 PolarHBondContact O-N 3.09Å; K361-R365 WeakPolarHBondContact O-CB 3.44Å; K361-R365 VanDerWaalsContact O-CG 3.29Å; K361-R365 WeakPolarHBondContact O-CG 3.4Å; K361-R365 PolarHBondContact O-N 2.88Å; K361-W403 HydrophobicContact CB-CZ2 3.86Å; K361-W403 HydrophobicContact CD-CH2 3.91Å; K361-W403 HydrophobicContact CD-CZ2 3.6Å; K361-W403 HydrophobicContact CG-CZ2 4.3Å
362	D	90.1	Very high	94	Very high	27 Å²	27	56.6 Å²	56.6	14%	0.144	28%	0.28	C	S	.	.	H	α-helix	trans	-66	-48.9	-178.8	-169.9	56.6	0	0	0	111.3	N358 H359 F364 R365 R366	N358-D362 PolarHBondContact O-N 3.12Å; H359-D362 PolarHBondContact O-N 3.08Å; D362-F364 PolarHBondContact O-N 2.87Å; D362-R365 PolarHBondContact O-N 2.92Å; D362-R366 WeakPolarHBondContact O-CG 3.34Å; D362-R366 PolarHBondContact O-N 3.17Å; D362-R366 IonicContact OD1-NE 3.06Å; D362-R366 PolarHBondContact OD1-NE 3.42Å; D362-R366 IonicContact OD1-NH2 3.29Å; D362-R366 IonicContact OD2-CZ 3.11Å; D362-R366 IonicContact OD2-NE 2.63Å; D362-R366 PolarHBondContact OD2-NE 2.57Å; D362-R366 IonicContact OD2-NH2 2.7Å; D362-R366 PolarHBondContact OD2-NH2 2.87Å
363	L	92.4	Very high	93.9	Very high	57 Å²	57	50.7 Å²	50.7	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-56.4	-50.6	175.5	179.3	63.1	0	0	0	111	H359 R365 R366 T367 C371	H359-L363 VanDerWaalsContact O-CB 3.3Å; H359-L363 WeakPolarHBondContact O-CB 3.44Å; H359-L363 PolarHBondContact O-N 3.46Å; L363-R365 VanDerWaalsContact C-N 3.3Å; L363-R365 PolarHBondContact O-N 2.6Å; L363-R366 PolarHBondContact O-N 3.19Å; L363-T367 HydrophobicContact CD1-CG2 3.89Å; L363-T367 WeakPolarHBondContact O-CG2 3.3Å; L363-T367 PolarHBondContact O-N 2.79Å; L363-T367 PolarHBondContact O-OG1 2.77Å; L363-T367 VanDerWaalsContact O-OG1 3.04Å; L363-C371 HydrophobicContact CD1-CB 4.42Å; L363-C371 HydrophobicContact CD2-CB 4.11Å; L363-C371 HydrophobicContact CG-CB 3.92Å
364	F	95.3	Very high	93.7	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-40.9	178.9	177.8	-102.5	0	0	0	113	Q360 D362 E368 G369 P378 Y380 K396 L398	Q360-F364 WeakPolarHBondContact O-CB 3.22Å; Q360-F364 PolarHBondContact O-N 3.33Å; D362-F364 PolarHBondContact O-N 2.87Å; F364-E368 PolarHBondContact O-N 2.79Å; F364-G369 VanDerWaalsContact CE2-CA 3.45Å; F364-G369 PolarHBondContact O-N 2.96Å; F364-P378 HydrophobicContact CD2-CB 4.06Å; F364-P378 HydrophobicContact CD2-CG 3.98Å; F364-P378 HydrophobicContact CE2-CB 4.1Å; F364-P378 HydrophobicContact CE2-CG 4Å; F364-Y380 AromaticContact CE2-CD1 3.74Å; F364-Y380 HydrophobicContact CE2-CD1 3.74Å; F364-Y380 HydrophobicContact CE2-CE1 4.47Å; F364-Y380 HydrophobicContact CE2-CG 4.1Å; F364-Y380 AromaticContact CZ-CD1 3.8Å; F364-Y380 HydrophobicContact CZ-CD1 3.8Å; F364-Y380 HydrophobicContact CZ-CD2 4.41Å; F364-Y380 AromaticContact CZ-CG 3.66Å; F364-Y380 HydrophobicContact CZ-CG 3.66Å; F364-K396 HydrophobicContact CE1-CB 3.57Å; F364-K396 HydrophobicContact CZ-CB 3.65Å; F364-K396 HydrophobicContact CZ-CD 4.2Å; F364-L398 HydrophobicContact CB-CD2 4.27Å; F364-L398 HydrophobicContact CD1-CB 3.98Å; F364-L398 HydrophobicContact CD1-CD1 4.45Å; F364-L398 HydrophobicContact CD2-CD1 3.8Å; F364-L398 HydrophobicContact CE1-CB 4.08Å; F364-L398 HydrophobicContact CE2-CD1 3.99Å; F364-L398 HydrophobicContact CG-CB 4.34Å; F364-L398 HydrophobicContact CG-CD1 4.06Å; F364-L398 HydrophobicContact CG-CD2 4.35Å; F364-L398 HydrophobicContact CG-CG 4.49Å; F364-L398 HydrophobicContact CZ-CD1 4.4Å
365	R	90.5	Very high	93.5	Very high	147 Å²	147	66.7 Å²	66.7	56%	0.555	32%	0.316	S	S	*	.	H	α-helix	trans	-70.4	-42.5	177.5	-75.2	177.1	176.3	-179.1	-0.1	112.2	K361 D362 L363 E368	K361-R365 WeakPolarHBondContact O-CB 3.44Å; K361-R365 VanDerWaalsContact O-CG 3.29Å; K361-R365 WeakPolarHBondContact O-CG 3.4Å; K361-R365 PolarHBondContact O-N 2.88Å; D362-R365 PolarHBondContact O-N 2.92Å; L363-R365 VanDerWaalsContact C-N 3.3Å; L363-R365 PolarHBondContact O-N 2.6Å; R365-E368 PolarHBondContact O-N 2.82Å
366	R	89.1	Confident	93.4	Very high	165 Å²	165	73.8 Å²	73.8	62%	0.623	34%	0.343	S	S	*	.	H	α-helix	trans	-67.1	-35.6	-179.3	-72.4	-175.2	-165.7	-145.5	10.8	113	D362 L363 E368	D362-R366 WeakPolarHBondContact O-CG 3.34Å; D362-R366 PolarHBondContact O-N 3.17Å; D362-R366 IonicContact OD1-NE 3.06Å; D362-R366 PolarHBondContact OD1-NE 3.42Å; D362-R366 IonicContact OD1-NH2 3.29Å; D362-R366 IonicContact OD2-CZ 3.11Å; D362-R366 IonicContact OD2-NE 2.63Å; D362-R366 PolarHBondContact OD2-NE 2.57Å; D362-R366 IonicContact OD2-NH2 2.7Å; D362-R366 PolarHBondContact OD2-NH2 2.87Å; L363-R366 PolarHBondContact O-N 3.19Å; R366-E368 VanDerWaalsContact C-N 3.33Å
367	T	93	Very high	93.4	Very high	45 Å²	45	81.9 Å²	81.9	28%	0.276	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.8	179.7	66	0	0	0	0	112.8	L363 G369 A370 C371	L363-T367 HydrophobicContact CD1-CG2 3.89Å; L363-T367 WeakPolarHBondContact O-CG2 3.3Å; L363-T367 PolarHBondContact O-N 2.79Å; L363-T367 PolarHBondContact O-OG1 2.77Å; L363-T367 VanDerWaalsContact O-OG1 3.04Å; T367-G369 PolarHBondContact O-N 2.85Å; T367-A370 VanDerWaalsContact O-CB 3.26Å; T367-A370 WeakPolarHBondContact O-CB 3.29Å; T367-A370 PolarHBondContact O-N 3.43Å; T367-C371 HydrophobicContact CG2-CB 4.17Å; T367-C371 WeakPolarHBondContact OG1-CB 2.86Å
368	E	91.7	Very high	93.4	Very high	149 Å²	149	82.5 Å²	82.5	70%	0.696	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	35.3	-173.2	-55.3	-166	150.1	0	0	113.6	F364 R365 R366 K396	F364-E368 PolarHBondContact O-N 2.79Å; R365-E368 PolarHBondContact O-N 2.82Å; R366-E368 VanDerWaalsContact C-N 3.33Å; E368-K396 PolarHBondContact O-NZ 3.38Å
369	G	90.9	Very high	93.5	Very high	12 Å²	12	86 Å²	86	12%	0.124	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	-4.5	-176.6	0	0	0	0	0	116.1	F364 T367 C371 P378	F364-G369 VanDerWaalsContact CE2-CA 3.45Å; F364-G369 PolarHBondContact O-N 2.96Å; T367-G369 PolarHBondContact O-N 2.85Å; G369-C371 PolarHBondContact O-N 3.24Å; G369-P378 WeakPolarHBondContact O-CG 3.43Å
370	A	93.3	Very high	93.7	Very high	89 Å²	89	85.2 Å²	85.2	74%	0.736	39%	0.394	S	S	*	.			trans	-78.6	56	171.4	0	0	0	0	0	112.1	T367	T367-A370 VanDerWaalsContact O-CB 3.26Å; T367-A370 WeakPolarHBondContact O-CB 3.29Å; T367-A370 PolarHBondContact O-N 3.43Å
371	C	94.6	Very high	93.8	Very high	24 Å²	24	85.1 Å²	85.1	16%	0.162	39%	0.394	C	S	.	.	S	Bend	trans	-135.1	179.9	176.3	65.2	0	0	0	0	111.1	L363 T367 G369 P378	L363-C371 HydrophobicContact CD1-CB 4.42Å; L363-C371 HydrophobicContact CD2-CB 4.11Å; L363-C371 HydrophobicContact CG-CB 3.92Å; T367-C371 HydrophobicContact CG2-CB 4.17Å; T367-C371 WeakPolarHBondContact OG1-CB 2.86Å; G369-C371 PolarHBondContact O-N 3.24Å; C371-P378 WeakPolarHBondContact O-CD 3.32Å
372	S	95.3	Very high	93.8	Very high	68 Å²	68	87.5 Å²	87.5	48%	0.476	41%	0.405	S	S	.	.			trans	-121.7	129	174.1	-173.3	0	0	0	0	109	R375 R376	S372-R375 WeakPolarHBondContact OG-CA 3.3Å; S372-R376 CarbonylContact C-O 3.58Å; S372-R376 WeakPolarHBondContact CA-O 3.34Å; S372-R376 PolarHBondContact OG-N 3.32Å; S372-R376 PolarHBondContact OG-O 3.3Å
373	I	94.8	Very high	94	Very high	11 Å²	11	86.4 Å²	86.4	6%	0.056	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-116	122.1	176.2	-61	-177.1	0	0	0	107.2	Q360 R375 R376 P378 L398	Q360-I373 HydrophobicContact CB-CD1 4.29Å; Q360-I373 HydrophobicContact CG-CG2 4.08Å; I373-R375 PolarHBondContact O-N 2.89Å; I373-R376 PolarHBondContact N-O 2.85Å; I373-R376 PolarHBondContact O-N 3.49Å; I373-R376 VanDerWaalsContact O-N 3.08Å; I373-P378 HydrophobicContact CD1-CB 3.98Å; I373-P378 HydrophobicContact CG1-CB 4.27Å; I373-L398 HydrophobicContact CD1-CD1 3.7Å; I373-L398 HydrophobicContact CD1-CD2 3.58Å; I373-L398 HydrophobicContact CD1-CG 4.27Å
374	W	94.7	Very high	93.8	Very high	136 Å²	136	87.1 Å²	87.1	52%	0.515	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	45	-172.1	-60.1	-20.1	0	0	0	113.1	R376 F402 V405	W374-R376 PolarHBondContact O-N 2.95Å; W374-F402 HydrophobicContact CH2-CD1 4.25Å; W374-F402 HydrophobicContact CH2-CE1 4.39Å; W374-F402 AromaticContact CZ2-CD1 3.91Å; W374-F402 HydrophobicContact CZ2-CD1 3.91Å; W374-F402 HydrophobicContact CZ2-CD2 4.05Å; W374-F402 AromaticContact CZ2-CE1 3.87Å; W374-F402 HydrophobicContact CZ2-CE1 3.87Å; W374-F402 AromaticContact CZ2-CE2 4Å; W374-F402 HydrophobicContact CZ2-CE2 4Å; W374-F402 HydrophobicContact CZ2-CG 4.01Å; W374-F402 AromaticContact CZ2-CZ 3.92Å; W374-F402 HydrophobicContact CZ2-CZ 3.92Å; W374-V405 HydrophobicContact CH2-CG2 4.31Å
375	R	93.4	Very high	93.3	Very high	244 Å²	244	89.4 Å²	89.4	92%	0.921	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	14.5	-179.9	-53.8	-179.9	178.9	173.7	-0.4	114.7	S372 I373	S372-R375 WeakPolarHBondContact OG-CA 3.3Å; I373-R375 PolarHBondContact O-N 2.89Å
376	R	93.7	Very high	92.9	Very high	201 Å²	201	88.3 Å²	88.3	76%	0.758	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-122.9	154.9	177.4	-62.5	-178.2	-177.7	-173.6	0.6	110.9	S372 I373 W374	S372-R376 CarbonylContact C-O 3.58Å; S372-R376 WeakPolarHBondContact CA-O 3.34Å; S372-R376 PolarHBondContact OG-N 3.32Å; S372-R376 PolarHBondContact OG-O 3.3Å; I373-R376 PolarHBondContact N-O 2.85Å; I373-R376 PolarHBondContact O-N 3.49Å; I373-R376 VanDerWaalsContact O-N 3.08Å; W374-R376 PolarHBondContact O-N 2.95Å
377	K	95.5	Very high	92.1	Very high	190 Å²	190	82.1 Å²	82.1	83%	0.826	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-62.1	131.2	171.3	-69.7	-174	179.4	-178.8	0	108.9
378	P	96.9	Very high	90.9	Very high	14 Å²	14	85 Å²	85	9%	0.091	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-67.4	141.9	-177.6	27.3	-35.1	0	0	0	110.9	F364 G369 C371 I373 L398 S400	F364-P378 HydrophobicContact CD2-CB 4.06Å; F364-P378 HydrophobicContact CD2-CG 3.98Å; F364-P378 HydrophobicContact CE2-CB 4.1Å; F364-P378 HydrophobicContact CE2-CG 4Å; G369-P378 WeakPolarHBondContact O-CG 3.43Å; C371-P378 WeakPolarHBondContact O-CD 3.32Å; I373-P378 HydrophobicContact CD1-CB 3.98Å; I373-P378 HydrophobicContact CG1-CB 4.27Å; P378-L398 HydrophobicContact CB-CD1 3.75Å; P378-S400 VanDerWaalsContact CA-OG 3.29Å; P378-S400 WeakPolarHBondContact CA-OG 3.1Å
379	T	97.2	Very high	89.9	Confident	78 Å²	78	81 Å²	81	48%	0.479	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-92	142.2	168.4	59.7	0	0	0	0	109.1	T399 S400	T379-T399 WeakPolarHBondContact CB-OG1 3.29Å; T379-T399 PolarHBondContact O-N 3.43Å; T379-T399 PolarHBondContact O-OG1 3.09Å; T379-T399 PolarHBondContact OG1-O 3.2Å; T379-T399 PolarHBondContact OG1-OG1 3.17Å; T379-S400 PolarHBondContact N-OG 3.34Å; T379-S400 VanDerWaalsContact N-OG 3.1Å; T379-S400 WeakPolarHBondContact OG1-CB 3.21Å
380	Y	97	Very high	89.2	Confident	87 Å²	87	83.2 Å²	83.2	34%	0.341	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	163.4	-178.2	60.7	-93.9	0	0	0	111.9	F364 E382 K396 L397 T399	F364-Y380 AromaticContact CE2-CD1 3.74Å; F364-Y380 HydrophobicContact CE2-CD1 3.74Å; F364-Y380 HydrophobicContact CE2-CE1 4.47Å; F364-Y380 HydrophobicContact CE2-CG 4.1Å; F364-Y380 AromaticContact CZ-CD1 3.8Å; F364-Y380 HydrophobicContact CZ-CD1 3.8Å; F364-Y380 HydrophobicContact CZ-CD2 4.41Å; F364-Y380 AromaticContact CZ-CG 3.66Å; F364-Y380 HydrophobicContact CZ-CG 3.66Å; Y380-E382 HydrophobicContact CD2-CG 3.99Å; Y380-E382 HydrophobicContact CE2-CG 3.57Å; Y380-K396 HydrophobicContact CD2-CB 4.03Å; Y380-K396 HydrophobicContact CD2-CD 3.93Å; Y380-K396 HydrophobicContact CD2-CG 4Å; Y380-K396 HydrophobicContact CE2-CD 3.69Å; Y380-K396 HydrophobicContact CE2-CG 4.1Å; Y380-K396 HydrophobicContact CG-CB 4.46Å; Y380-L397 CarbonylContact C-O 3.46Å; Y380-L397 WeakPolarHBondContact CA-O 3.11Å; Y380-L397 WeakPolarHBondContact CB-O 3.27Å; Y380-T399 PolarHBondContact N-OG1 2.89Å
381	I	96.4	Very high	88.6	Confident	8 Å²	8	86.8 Å²	86.8	4%	0.041	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.6	172.2	-63.9	166.7	0	0	0	107.8	K396 L397 T399 D461 R464 Y465	I381-K396 WeakPolarHBondContact O-CA 3.47Å; I381-L397 HydrophobicContact CB-CB 4.49Å; I381-L397 PolarHBondContact N-O 3.05Å; I381-L397 PolarHBondContact O-N 3.25Å; I381-T399 HydrophobicContact CD1-CG2 3.97Å; I381-T399 HydrophobicContact CG1-CG2 4.11Å; I381-D461 HydrophobicContact CG2-CB 4.4Å; I381-R464 HydrophobicContact CD1-CB 4.2Å; I381-R464 HydrophobicContact CD1-CG 3.83Å; I381-Y465 VanDerWaalsContact CD1-CA 3.5Å; I381-Y465 HydrophobicContact CD1-CD2 4.27Å
382	E	94.9	Very high	88.1	Confident	81 Å²	81	89.9 Å²	89.9	38%	0.379	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.4	169.7	-63.3	-161.9	159.8	0	0	109.8	Y380 R394 K396	Y380-E382 HydrophobicContact CD2-CG 3.99Å; Y380-E382 HydrophobicContact CE2-CG 3.57Å; E382-R394 IonicContact OE2-CZ 3.77Å; E382-R394 IonicContact OE2-NH2 2.84Å; E382-R394 PolarHBondContact OE2-NH2 3.14Å; E382-K396 HydrophobicContact CG-CG 4.45Å
383	C	92.6	Very high	87.6	Confident	4 Å²	4	89.6 Å²	89.6	3%	0.027	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.4	-177.8	-51.3	0	0	0	0	109.8	R394 S395 L397 Y458 D461	C383-R394 CarbonylContact O-C 3.44Å; C383-R394 WeakPolarHBondContact O-CA 3.19Å; C383-S395 PolarHBondContact N-O 3.1Å; C383-S395 PolarHBondContact O-N 3.31Å; C383-L397 WeakPolarHBondContact SG-CD1 3.37Å; C383-L397 WeakPolarHBondContact SG-CG 3.22Å; C383-Y458 HydrophobicContact CB-CD1 3.65Å; C383-Y458 HydrophobicContact CB-CE1 4.18Å; C383-Y458 HydrophobicContact CB-CG 4.27Å; C383-D461 VanDerWaalsContact CA-OD2 3.26Å; C383-D461 WeakPolarHBondContact CA-OD2 3.22Å; C383-D461 HydrophobicContact CB-CB 3.92Å; C383-D461 VanDerWaalsContact SG-CB 3.54Å
384	S	88.6	Confident	87.4	Confident	72 Å²	72	98.3 Å²	98.3	50%	0.503	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.1	168	55.7	0	0	0	0	110.2	H393 D461	S384-H393 WeakPolarHBondContact CA-O 3.2Å; S384-D461 PolarHBondContact N-OD2 3.45Å
385	Y	84.9	Confident	87.2	Confident	52 Å²	52	93.3 Å²	93.3	20%	0.204	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.1	175.4	69.1	-86.2	0	0	0	111.3	H393 K457 Y458	Y385-H393 HydrophobicContact CD1-CB 4.12Å; Y385-H393 HydrophobicContact CD2-CB 4.32Å; Y385-H393 HydrophobicContact CE1-CB 3.6Å; Y385-H393 HydrophobicContact CE2-CB 3.8Å; Y385-H393 HydrophobicContact CG-CB 4.46Å; Y385-H393 VanDerWaalsContact CZ-CB 3.43Å; Y385-H393 PolarHBondContact N-O 3.33Å; Y385-H393 PolarHBondContact O-N 2.79Å; Y385-K457 WeakPolarHBondContact CB-O 3.32Å; Y385-K457 HydrophobicContact CD2-CD 4.36Å; Y385-K457 HydrophobicContact CD2-CG 4.03Å; Y385-K457 HydrophobicContact CG-CD 4.4Å; Y385-K457 VanDerWaalsContact CG-CE 3.48Å; Y385-K457 HydrophobicContact CG-CG 3.94Å; Y385-K457 VanDerWaalsContact CZ-NZ 3.32Å; Y385-K457 PolarHBondContact OH-NZ 3.33Å; Y385-Y458 HydrophobicContact CD1-CD1 4.07Å; Y385-Y458 AromaticContact CD1-CE1 3.63Å; Y385-Y458 HydrophobicContact CD1-CE1 3.63Å; Y385-Y458 HydrophobicContact CE1-CE1 4.09Å; Y385-Y458 HydrophobicContact CG-CD1 4.49Å; Y385-Y458 HydrophobicContact CG-CE1 4.32Å
386	L	81.9	Confident	87.3	Confident	124 Å²	124	84.5 Å²	84.5	65%	0.649	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.1	171.4	-74.1	161.7	0	0	0	109.4	R391	L386-R391 WeakPolarHBondContact CA-O 3.29Å
387	S	72.1	Confident	87.3	Confident	36 Å²	36	75.7 Å²	75.7	25%	0.252	40%	0.401	S	S	.	.			trans	-80.8	163.9	169.8	169.3	0	0	0	0	110.2	D389 G390 R391 H393	S387-D389 WeakPolarHBondContact CB-OD1 3.1Å; S387-D389 PolarHBondContact O-N 2.87Å; S387-D389 VanDerWaalsContact O-N 3.15Å; S387-D389 PolarHBondContact OG-OD1 2.93Å; S387-G390 PolarHBondContact O-N 3.05Å; S387-R391 PolarHBondContact N-O 3.41Å; S387-H393 VanDerWaalsContact CB-CD2 3.43Å; S387-H393 WeakPolarHBondContact CB-CD2 3.47Å; S387-H393 WeakPolarHBondContact CB-NE2 3.41Å
388	A	67.8	Low	87.4	Confident	104 Å²	104	67.1 Å²	67.1	86%	0.86	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.7	-179.4	0	0	0	0	0	113.1	G390	A388-G390 PolarHBondContact O-N 3.28Å
389	D	70.5	Confident	87.4	Confident	67 Å²	67	67.4 Å²	67.4	36%	0.358	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	9.9	172.9	59.4	-4.7	0	0	0	113.5	R137 S387 R391	R137-D389 IonicContact CZ-OD2 3.92Å; R137-D389 IonicContact NH1-OD2 3.09Å; R137-D389 PolarHBondContact NH1-OD2 2.69Å; R137-D389 VanDerWaalsContact NH1-OD2 3.09Å; R137-D389 IonicContact NH2-OD2 3.83Å; S387-D389 WeakPolarHBondContact CB-OD1 3.1Å; S387-D389 PolarHBondContact O-N 2.87Å; S387-D389 VanDerWaalsContact O-N 3.15Å; S387-D389 PolarHBondContact OG-OD1 2.93Å; D389-R391 PolarHBondContact O-N 3.35Å
390	G	76.2	Confident	87.4	Confident	57 Å²	57	64.7 Å²	64.7	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	75.5	3.6	178.4	0	0	0	0	0	114.5	S387 A388	S387-G390 PolarHBondContact O-N 3.05Å; A388-G390 PolarHBondContact O-N 3.28Å
391	R	81.1	Confident	87.4	Confident	164 Å²	164	61 Å²	61	62%	0.619	34%	0.338	S	S	*	.			trans	-82	136.8	179.7	-65.7	-178	179.2	-176.1	0.2	111	L386 S387 D389 H393	L386-R391 WeakPolarHBondContact CA-O 3.29Å; S387-R391 PolarHBondContact N-O 3.41Å; D389-R391 PolarHBondContact O-N 3.35Å; R391-H393 PolarHBondContact O-CD2 2.87Å
392	S	84.3	Confident	87.5	Confident	89 Å²	89	61.7 Å²	61.7	62%	0.622	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.8	173.7	-174.6	0	0	0	0	110.5
393	H	85.6	Confident	87.6	Confident	63 Å²	63	59 Å²	59	29%	0.292	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.4	179.4	-65.3	-86.9	0	0	0	110.5	S384 Y385 S387 R391	S384-H393 WeakPolarHBondContact CA-O 3.2Å; Y385-H393 HydrophobicContact CD1-CB 4.12Å; Y385-H393 HydrophobicContact CD2-CB 4.32Å; Y385-H393 HydrophobicContact CE1-CB 3.6Å; Y385-H393 HydrophobicContact CE2-CB 3.8Å; Y385-H393 HydrophobicContact CG-CB 4.46Å; Y385-H393 VanDerWaalsContact CZ-CB 3.43Å; Y385-H393 PolarHBondContact N-O 3.33Å; Y385-H393 PolarHBondContact O-N 2.79Å; S387-H393 VanDerWaalsContact CB-CD2 3.43Å; S387-H393 WeakPolarHBondContact CB-CD2 3.47Å; S387-H393 WeakPolarHBondContact CB-NE2 3.41Å; R391-H393 PolarHBondContact O-CD2 2.87Å
394	R	89.5	Confident	87.8	Confident	193 Å²	193	60.1 Å²	60.1	73%	0.728	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	141.4	171.9	-65.3	179.7	78.5	173.6	4.2	110.3	E382 C383	E382-R394 IonicContact OE2-CZ 3.77Å; E382-R394 IonicContact OE2-NH2 2.84Å; E382-R394 PolarHBondContact OE2-NH2 3.14Å; C383-R394 CarbonylContact O-C 3.44Å; C383-R394 WeakPolarHBondContact O-CA 3.19Å
395	S	91.5	Very high	88.2	Confident	32 Å²	32	59.1 Å²	59.1	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	168.3	173.4	-158	0	0	0	0	110.4	C383	C383-S395 PolarHBondContact N-O 3.1Å; C383-S395 PolarHBondContact O-N 3.31Å
396	K	94.4	Very high	88.8	Confident	59 Å²	59	56.6 Å²	56.6	26%	0.257	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.4	178.1	-60.1	-178.3	-179.7	-177.5	0	109.2	F364 E368 Y380 I381 E382	F364-K396 HydrophobicContact CE1-CB 3.57Å; F364-K396 HydrophobicContact CZ-CB 3.65Å; F364-K396 HydrophobicContact CZ-CD 4.2Å; E368-K396 PolarHBondContact O-NZ 3.38Å; Y380-K396 HydrophobicContact CD2-CB 4.03Å; Y380-K396 HydrophobicContact CD2-CD 3.93Å; Y380-K396 HydrophobicContact CD2-CG 4Å; Y380-K396 HydrophobicContact CE2-CD 3.69Å; Y380-K396 HydrophobicContact CE2-CG 4.1Å; Y380-K396 HydrophobicContact CG-CB 4.46Å; I381-K396 WeakPolarHBondContact O-CA 3.47Å; E382-K396 HydrophobicContact CG-CG 4.45Å
397	L	95.3	Very high	89.5	Confident	15 Å²	15	51.3 Å²	51.3	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117	174.4	-64.2	178.3	0	0	0	109.5	Y380 I381 C383 Y458 W462 Y465	Y380-L397 CarbonylContact C-O 3.46Å; Y380-L397 WeakPolarHBondContact CA-O 3.11Å; Y380-L397 WeakPolarHBondContact CB-O 3.27Å; I381-L397 HydrophobicContact CB-CB 4.49Å; I381-L397 PolarHBondContact N-O 3.05Å; I381-L397 PolarHBondContact O-N 3.25Å; C383-L397 WeakPolarHBondContact SG-CD1 3.37Å; C383-L397 WeakPolarHBondContact SG-CG 3.22Å; L397-Y458 HydrophobicContact CD1-CD2 4.22Å; L397-Y458 HydrophobicContact CD2-CD2 4.32Å; L397-Y458 HydrophobicContact CD2-CE2 3.88Å; L397-W462 HydrophobicContact CD1-CE3 3.84Å; L397-W462 HydrophobicContact CD1-CZ3 4.21Å; L397-Y465 HydrophobicContact CB-CD2 3.84Å; L397-Y465 HydrophobicContact CB-CE2 4.17Å; L397-Y465 HydrophobicContact CB-CG 4.28Å; L397-Y465 HydrophobicContact CD1-CD1 4.39Å; L397-Y465 HydrophobicContact CD1-CD2 4.34Å; L397-Y465 HydrophobicContact CD1-CG 3.94Å
398	L	96.8	Very high	90.7	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.3	-175.9	178.3	63.8	0	0	0	111.2	Q360 F364 I373 P378 S400 W403 Y465	Q360-L398 HydrophobicContact CB-CD2 4.43Å; F364-L398 HydrophobicContact CB-CD2 4.27Å; F364-L398 HydrophobicContact CD1-CB 3.98Å; F364-L398 HydrophobicContact CD1-CD1 4.45Å; F364-L398 HydrophobicContact CD2-CD1 3.8Å; F364-L398 HydrophobicContact CE1-CB 4.08Å; F364-L398 HydrophobicContact CE2-CD1 3.99Å; F364-L398 HydrophobicContact CG-CB 4.34Å; F364-L398 HydrophobicContact CG-CD1 4.06Å; F364-L398 HydrophobicContact CG-CD2 4.35Å; F364-L398 HydrophobicContact CG-CG 4.49Å; F364-L398 HydrophobicContact CZ-CD1 4.4Å; I373-L398 HydrophobicContact CD1-CD1 3.7Å; I373-L398 HydrophobicContact CD1-CD2 3.58Å; I373-L398 HydrophobicContact CD1-CG 4.27Å; P378-L398 HydrophobicContact CB-CD1 3.75Å; L398-S400 WeakPolarHBondContact CD1-OG 3.42Å; L398-W403 HydrophobicContact CB-CB 4.32Å; L398-W403 HydrophobicContact CD2-CB 4.07Å; L398-W403 HydrophobicContact CD2-CG 4.03Å; L398-W403 HydrophobicContact CG-CB 4.07Å; L398-W403 HydrophobicContact CG-CG 4.49Å; L398-W403 WeakPolarHBondContact O-CB 3.44Å; L398-Y465 VanDerWaalsContact O-CE2 3.27Å; L398-Y465 WeakPolarHBondContact O-CE2 3.33Å; L398-Y465 PolarHBondContact O-OH 3.35Å
399	T	97.2	Very high	92.1	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.117	25%	0.245	C	C	.	.			trans	-116.1	14.3	-177.9	55	0	0	0	0	113.3	T379 Y380 I381 G404 Y465 T468 V469	T379-T399 WeakPolarHBondContact CB-OG1 3.29Å; T379-T399 PolarHBondContact O-N 3.43Å; T379-T399 PolarHBondContact O-OG1 3.09Å; T379-T399 PolarHBondContact OG1-O 3.2Å; T379-T399 PolarHBondContact OG1-OG1 3.17Å; Y380-T399 PolarHBondContact N-OG1 2.89Å; I381-T399 HydrophobicContact CD1-CG2 3.97Å; I381-T399 HydrophobicContact CG1-CG2 4.11Å; T399-G404 VanDerWaalsContact C-CA 3.5Å; T399-G404 WeakPolarHBondContact O-CA 3.29Å; T399-Y465 HydrophobicContact CG2-CD2 3.57Å; T399-Y465 HydrophobicContact CG2-CE2 3.69Å; T399-T468 HydrophobicContact CG2-CG2 3.94Å; T399-V469 HydrophobicContact CG2-CG2 4.35Å
400	S	96.8	Very high	93.3	Very high	22 Å²	22	43.2 Å²	43.2	15%	0.154	23%	0.23	C	C	.	.	S	Bend	trans	-127.7	167.9	178.5	58.9	0	0	0	0	111.7	P378 T379 L398 G404	P378-S400 VanDerWaalsContact CA-OG 3.29Å; P378-S400 WeakPolarHBondContact CA-OG 3.1Å; T379-S400 PolarHBondContact N-OG 3.34Å; T379-S400 VanDerWaalsContact N-OG 3.1Å; T379-S400 WeakPolarHBondContact OG1-CB 3.21Å; L398-S400 WeakPolarHBondContact CD1-OG 3.42Å; S400-G404 PolarHBondContact O-N 3.1Å
401	G	97.2	Very high	94.3	Very high	9 Å²	9	41.8 Å²	41.8	9%	0.093	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	-147.3	-172.8	0	0	0	0	0	110.5	W403 G404 V405	G401-W403 VanDerWaalsContact C-N 3.28Å; G401-W403 PolarHBondContact O-N 3.08Å; G401-G404 PolarHBondContact O-N 2.84Å; G401-V405 PolarHBondContact O-N 2.85Å
402	F	97.8	Very high	95.1	Very high	22 Å²	22	34.8 Å²	34.8	10%	0.096	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-31.2	179.3	-73.1	-59.4	0	0	0	113	Y352 I353 T357 W374 G404 V405 A406 F409	Y352-F402 HydrophobicContact CE1-CE2 4.28Å; Y352-F402 HydrophobicContact CE1-CZ 4.05Å; I353-F402 HydrophobicContact CG1-CE1 4.39Å; I353-F402 HydrophobicContact CG1-CZ 4.31Å; T357-F402 HydrophobicContact CG2-CB 3.76Å; T357-F402 WeakPolarHBondContact OG1-CB 3.12Å; T357-F402 WeakPolarHBondContact OG1-CD2 3.26Å; T357-F402 VanDerWaalsContact OG1-CG 3.31Å; T357-F402 WeakPolarHBondContact OG1-CG 3.3Å; W374-F402 HydrophobicContact CH2-CD1 4.25Å; W374-F402 HydrophobicContact CH2-CE1 4.39Å; W374-F402 AromaticContact CZ2-CD1 3.91Å; W374-F402 HydrophobicContact CZ2-CD1 3.91Å; W374-F402 HydrophobicContact CZ2-CD2 4.05Å; W374-F402 AromaticContact CZ2-CE1 3.87Å; W374-F402 HydrophobicContact CZ2-CE1 3.87Å; W374-F402 AromaticContact CZ2-CE2 4Å; W374-F402 HydrophobicContact CZ2-CE2 4Å; W374-F402 HydrophobicContact CZ2-CG 4.01Å; W374-F402 AromaticContact CZ2-CZ 3.92Å; W374-F402 HydrophobicContact CZ2-CZ 3.92Å; F402-G404 PolarHBondContact O-N 2.86Å; F402-V405 WeakPolarHBondContact O-CB 3.43Å; F402-V405 PolarHBondContact O-N 3.29Å; F402-V405 VanDerWaalsContact O-N 3.07Å; F402-A406 PolarHBondContact O-N 3.36Å; F402-F409 HydrophobicContact CB-CB 4.29Å; F402-F409 HydrophobicContact CB-CD1 4.02Å; F402-F409 AromaticContact CD1-CD1 3.25Å; F402-F409 HydrophobicContact CD1-CD1 3.25Å; F402-F409 AromaticContact CD1-CE1 3.41Å; F402-F409 HydrophobicContact CD1-CE1 3.41Å; F402-F409 VanDerWaalsContact CD1-CE1 3.41Å; F402-F409 HydrophobicContact CD1-CG 4.31Å; F402-F409 AromaticContact CE1-CD1 3.9Å; F402-F409 HydrophobicContact CE1-CD1 3.9Å; F402-F409 AromaticContact CE1-CE1 3.6Å; F402-F409 HydrophobicContact CE1-CE1 3.6Å; F402-F409 AromaticContact CG-CD1 3.89Å; F402-F409 HydrophobicContact CG-CD1 3.89Å; F402-F409 HydrophobicContact CG-CE1 4.43Å
403	W	97.3	Very high	95.8	Very high	25 Å²	25	30.6 Å²	30.6	10%	0.095	15%	0.153	C	C	.	.	H	α-helix	trans	-69.9	-16.5	173.3	-64.3	89.6	0	0	0	113.3	T357 K361 L398 G401 R407 Y465 V469	T357-W403 HydrophobicContact CG2-CD2 4.25Å; T357-W403 HydrophobicContact CG2-CG 4.44Å; T357-W403 HydrophobicContact CG2-CZ2 3.84Å; T357-W403 PolarHBondContact O-NE1 3.3Å; K361-W403 HydrophobicContact CB-CZ2 3.86Å; K361-W403 HydrophobicContact CD-CH2 3.91Å; K361-W403 HydrophobicContact CD-CZ2 3.6Å; K361-W403 HydrophobicContact CG-CZ2 4.3Å; L398-W403 HydrophobicContact CB-CB 4.32Å; L398-W403 HydrophobicContact CD2-CB 4.07Å; L398-W403 HydrophobicContact CD2-CG 4.03Å; L398-W403 HydrophobicContact CG-CB 4.07Å; L398-W403 HydrophobicContact CG-CG 4.49Å; L398-W403 WeakPolarHBondContact O-CB 3.44Å; G401-W403 VanDerWaalsContact C-N 3.28Å; G401-W403 PolarHBondContact O-N 3.08Å; W403-R407 WeakPolarHBondContact CZ3-O 3.35Å; W403-Y465 PolarHBondContact O-OH 3.18Å; W403-V469 WeakPolarHBondContact O-CG1 3.36Å
404	G	96.5	Very high	96.3	Very high	27 Å²	27	28.1 Å²	28.1	28%	0.278	14%	0.142	S	C	.	.	H	α-helix	trans	-86.2	-16.9	169.4	0	0	0	0	0	113.9	T399 S400 G401 F402	T399-G404 VanDerWaalsContact C-CA 3.5Å; T399-G404 WeakPolarHBondContact O-CA 3.29Å; S400-G404 PolarHBondContact O-N 3.1Å; G401-G404 PolarHBondContact O-N 2.84Å; F402-G404 PolarHBondContact O-N 2.86Å
405	V	97	Very high	96.8	Very high	51 Å²	51	20.1 Å²	20.1	31%	0.309	11%	0.113	S	C	.	.	H	α-helix	trans	-83.3	-49.3	178.5	174.2	0	0	0	0	110.4	W374 G401 F402 F409 P475	W374-V405 HydrophobicContact CH2-CG2 4.31Å; G401-V405 PolarHBondContact O-N 2.85Å; F402-V405 WeakPolarHBondContact O-CB 3.43Å; F402-V405 PolarHBondContact O-N 3.29Å; F402-V405 VanDerWaalsContact O-N 3.07Å; V405-F409 HydrophobicContact CG1-CD2 3.94Å; V405-F409 HydrophobicContact CG1-CE2 3.83Å; V405-F409 HydrophobicContact CG1-CG 4.49Å; V405-F409 HydrophobicContact CG1-CZ 4.29Å; V405-P475 HydrophobicContact CG1-CG 3.44Å; V405-P475 VanDerWaalsContact CG1-CG 3.44Å
406	A	97.6	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.			trans	-151.2	151.7	172.9	0	0	0	0	0	110.1	F402 H408 F409 Y471	F402-A406 PolarHBondContact O-N 3.36Å; A406-H408 PolarHBondContact O-N 2.98Å; A406-H408 VanDerWaalsContact O-N 3.16Å; A406-F409 HydrophobicContact CB-CB 4.16Å; A406-F409 HydrophobicContact CB-CD2 3.88Å; A406-F409 HydrophobicContact CB-CG 4.49Å; A406-F409 PolarHBondContact O-N 2.81Å; A406-Y471 WeakPolarHBondContact CA-O 3.33Å
407	R	97.1	Very high	97.3	Very high	13 Å²	13	18.2 Å²	18.2	5%	0.049	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.8	-175.4	-63.7	-171.6	-64.3	-90.7	-1.2	113.4	W403 E451 Y465 V469 P470 Y471	W403-R407 WeakPolarHBondContact CZ3-O 3.35Å; R407-E451 IonicContact CZ-OE1 2.74Å; R407-E451 IonicContact NE-OE1 3.09Å; R407-E451 PolarHBondContact NE-OE1 3.44Å; R407-E451 IonicContact NH2-OE1 3.77Å; R407-E451 PolarHBondContact NH2-OE1 2.82Å; R407-E451 IonicContact NH2-OE2 3.15Å; R407-Y465 HydrophobicContact CB-CE1 4.22Å; R407-Y465 HydrophobicContact CG-CD1 4.35Å; R407-Y465 HydrophobicContact CG-CE1 3.62Å; R407-V469 WeakPolarHBondContact CD-O 3.23Å; R407-V469 HydrophobicContact CG-CB 4.04Å; R407-V469 HydrophobicContact CG-CG1 3.81Å; R407-V469 WeakPolarHBondContact CG-O 3.2Å; R407-V469 PolarHBondContact NH1-O 3.09Å; R407-P470 PolarHBondContact NH1-O 2.99Å; R407-P470 PolarHBondContact NH2-O 3.37Å; R407-Y471 PolarHBondContact N-O 2.82Å
408	H	96.6	Very high	97.4	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.014	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	43.4	178.8	-60.7	-87	0	0	0	111.9	A406 N410 Y411 C447 D450 R472 L473	A406-H408 PolarHBondContact O-N 2.98Å; A406-H408 VanDerWaalsContact O-N 3.16Å; H408-N410 WeakPolarHBondContact CA-OD1 3.49Å; H408-N410 PolarHBondContact O-N 3.13Å; H408-Y411 HydrophobicContact CB-CD2 3.52Å; H408-Y411 HydrophobicContact CB-CE2 3.98Å; H408-Y411 HydrophobicContact CB-CG 4.08Å; H408-Y411 AromaticContact CG-CD2 3.95Å; H408-Y411 AromaticContact CG-CE2 3.9Å; H408-Y411 AromaticContact ND1-CD2 3.99Å; H408-Y411 AromaticContact ND1-CE2 3.48Å; H408-Y411 WeakPolarHBondContact ND1-CE2 3.36Å; H408-Y411 WeakPolarHBondContact O-CB 3.17Å; H408-Y411 PolarHBondContact O-N 3.18Å; H408-C447 PolarHBondContact CD2-SG 3.29Å; H408-D450 IonicContact CE1-OD2 2.89Å; H408-D450 PolarHBondContact CE1-OD2 2.95Å; H408-R472 WeakPolarHBondContact CA-O 3.5Å; H408-R472 WeakPolarHBondContact CB-O 3.08Å; H408-R472 PolarHBondContact N-O 3.2Å; H408-L473 HydrophobicContact CB-CD2 3.83Å
409	F	97.6	Very high	97.5	Very high	27 Å²	27	20.3 Å²	20.3	12%	0.118	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-20.1	-178.7	-155.1	-108.3	0	0	0	113.7	I353 T357 F402 V405 A406 Y411 T412 G413 P475	I353-F409 HydrophobicContact CB-CE1 4.48Å; I353-F409 HydrophobicContact CD1-CE1 4.07Å; I353-F409 HydrophobicContact CG1-CE1 4.2Å; I353-F409 HydrophobicContact CG2-CD1 3.41Å; I353-F409 VanDerWaalsContact CG2-CD1 3.41Å; I353-F409 HydrophobicContact CG2-CE1 3.45Å; I353-F409 VanDerWaalsContact CG2-CE1 3.45Å; I353-F409 HydrophobicContact CG2-CG 4.43Å; I353-F409 HydrophobicContact CG2-CZ 4.5Å; I353-F409 WeakPolarHBondContact CG2-O 3.28Å; T357-F409 HydrophobicContact CG2-CB 4.49Å; F402-F409 HydrophobicContact CB-CB 4.29Å; F402-F409 HydrophobicContact CB-CD1 4.02Å; F402-F409 AromaticContact CD1-CD1 3.25Å; F402-F409 HydrophobicContact CD1-CD1 3.25Å; F402-F409 AromaticContact CD1-CE1 3.41Å; F402-F409 HydrophobicContact CD1-CE1 3.41Å; F402-F409 VanDerWaalsContact CD1-CE1 3.41Å; F402-F409 HydrophobicContact CD1-CG 4.31Å; F402-F409 AromaticContact CE1-CD1 3.9Å; F402-F409 HydrophobicContact CE1-CD1 3.9Å; F402-F409 AromaticContact CE1-CE1 3.6Å; F402-F409 HydrophobicContact CE1-CE1 3.6Å; F402-F409 AromaticContact CG-CD1 3.89Å; F402-F409 HydrophobicContact CG-CD1 3.89Å; F402-F409 HydrophobicContact CG-CE1 4.43Å; V405-F409 HydrophobicContact CG1-CD2 3.94Å; V405-F409 HydrophobicContact CG1-CE2 3.83Å; V405-F409 HydrophobicContact CG1-CG 4.49Å; V405-F409 HydrophobicContact CG1-CZ 4.29Å; A406-F409 HydrophobicContact CB-CB 4.16Å; A406-F409 HydrophobicContact CB-CD2 3.88Å; A406-F409 HydrophobicContact CB-CG 4.49Å; A406-F409 PolarHBondContact O-N 2.81Å; F409-Y411 VanDerWaalsContact C-N 3.29Å; F409-Y411 PolarHBondContact O-N 2.99Å; F409-T412 HydrophobicContact CE2-CG2 4.25Å; F409-T412 WeakPolarHBondContact O-CB 3.25Å; F409-T412 PolarHBondContact O-N 2.8Å; F409-G413 PolarHBondContact O-N 2.87Å; F409-P475 HydrophobicContact CE2-CG 4.33Å
410	N	96.5	Very high	97.6	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.032	11%	0.11	C	C	.	.	H	α-helix	trans	-60.4	-37.8	169.2	59.8	-59	0	0	0	112	F354 T357 H408 T412 G413 D414	F354-N410 HydrophobicContact CD2-CB 4.47Å; F354-N410 WeakPolarHBondContact CD2-O 3.45Å; T357-N410 HydrophobicContact CG2-CB 3.74Å; H408-N410 WeakPolarHBondContact CA-OD1 3.49Å; H408-N410 PolarHBondContact O-N 3.13Å; N410-T412 VanDerWaalsContact C-N 3.32Å; N410-G413 PolarHBondContact O-N 3.18Å; N410-D414 PolarHBondContact O-N 2.94Å; N410-D414 VanDerWaalsContact O-N 3.11Å
411	Y	97.3	Very high	97.7	Very high	27 Å²	27	18.8 Å²	18.8	11%	0.106	10%	0.104	C	C	.	.	H	α-helix	trans	-69.9	-31.5	176.5	-63.2	-16.7	0	0	0	111.6	H408 F409 D414 L415 L443 C447 L473	H408-Y411 HydrophobicContact CB-CD2 3.52Å; H408-Y411 HydrophobicContact CB-CE2 3.98Å; H408-Y411 HydrophobicContact CB-CG 4.08Å; H408-Y411 AromaticContact CG-CD2 3.95Å; H408-Y411 AromaticContact CG-CE2 3.9Å; H408-Y411 AromaticContact ND1-CD2 3.99Å; H408-Y411 AromaticContact ND1-CE2 3.48Å; H408-Y411 WeakPolarHBondContact ND1-CE2 3.36Å; H408-Y411 WeakPolarHBondContact O-CB 3.17Å; H408-Y411 PolarHBondContact O-N 3.18Å; F409-Y411 VanDerWaalsContact C-N 3.29Å; F409-Y411 PolarHBondContact O-N 2.99Å; Y411-D414 WeakPolarHBondContact O-CB 3.35Å; Y411-D414 PolarHBondContact O-N 3.43Å; Y411-L415 WeakPolarHBondContact O-CG 3.44Å; Y411-L415 PolarHBondContact O-N 2.9Å; Y411-L443 HydrophobicContact CD1-CD2 3.73Å; Y411-L443 HydrophobicContact CD2-CB 4.44Å; Y411-L443 HydrophobicContact CD2-CD2 4.32Å; Y411-L443 HydrophobicContact CE1-CD2 4.07Å; Y411-L443 HydrophobicContact CG-CB 4.42Å; Y411-L443 HydrophobicContact CG-CD2 3.88Å; Y411-C447 HydrophobicContact CD2-CB 4.28Å; Y411-C447 HydrophobicContact CE2-CB 4.18Å; Y411-L473 VanDerWaalsContact CB-CD2 3.47Å; Y411-L473 HydrophobicContact CD2-CD2 3.99Å; Y411-L473 HydrophobicContact CG-CD2 4.24Å
412	T	97.9	Very high	97.7	Very high	18 Å²	18	18.3 Å²	18.3	11%	0.11	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-44.4	171.2	-53.6	0	0	0	0	111.3	F409 N410 D414 L415 M416 L473 I474	F409-T412 HydrophobicContact CE2-CG2 4.25Å; F409-T412 WeakPolarHBondContact O-CB 3.25Å; F409-T412 PolarHBondContact O-N 2.8Å; N410-T412 VanDerWaalsContact C-N 3.32Å; T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 PolarHBondContact O-N 3.2Å; T412-L415 PolarHBondContact O-N 3.41Å; T412-M416 WeakPolarHBondContact O-CG 3.38Å; T412-M416 PolarHBondContact O-N 2.9Å; T412-L473 VanDerWaalsContact OG1-C 3.28Å; T412-L473 PolarHBondContact OG1-O 2.99Å; T412-I474 HydrophobicContact CG2-CG1 4.45Å
413	G	97.9	Very high	97.7	Very high	1 Å²	1	18 Å²	18	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-39.2	173.4	0	0	0	0	0	113.2	G350 F409 N410 M416 G417	G350-G413 CarbonylContact C-O 3.15Å; G350-G413 WeakPolarHBondContact CA-O 3.27Å; G350-G413 CarbonylContact O-C 3.32Å; G350-G413 VanDerWaalsContact O-CA 3.27Å; G350-G413 WeakPolarHBondContact O-CA 3.14Å; F409-G413 PolarHBondContact O-N 2.87Å; N410-G413 PolarHBondContact O-N 3.18Å; G413-M416 WeakPolarHBondContact O-CB 3.2Å; G413-M416 PolarHBondContact O-N 3.21Å; G413-G417 PolarHBondContact O-N 3.31Å; G413-G417 VanDerWaalsContact O-N 3.09Å
414	D	97.5	Very high	97.8	Very high	11 Å²	11	16.8 Å²	16.8	6%	0.059	10%	0.096	C	C	.	.	H	α-helix	trans	-65.2	-40.8	176.7	-160.1	10.8	0	0	0	112.2	Y283 F354 N410 Y411 T412 G417 S418 M439 L443	Y283-D414 WeakPolarHBondContact CE2-OD1 3.14Å; F354-D414 HydrophobicContact CD2-CB 4.08Å; N410-D414 PolarHBondContact O-N 2.94Å; N410-D414 VanDerWaalsContact O-N 3.11Å; Y411-D414 WeakPolarHBondContact O-CB 3.35Å; Y411-D414 PolarHBondContact O-N 3.43Å; T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 PolarHBondContact O-N 3.2Å; D414-G417 PolarHBondContact O-N 3.18Å; D414-S418 WeakPolarHBondContact O-CB 3.21Å; D414-S418 PolarHBondContact O-N 3.05Å; D414-S418 PolarHBondContact O-OG 3.49Å; D414-M439 WeakPolarHBondContact OD2-CE 3.48Å; D414-L443 HydrophobicContact CB-CD1 4Å
415	L	98.3	Very high	97.9	Very high	24 Å²	24	15.6 Å²	15.6	13%	0.126	8%	0.084	C	C	.	.	H	α-helix	trans	-66.8	-35.6	173.9	-69.3	176.8	0	0	0	112.8	Y411 T412 S418 L419 I436 M439 T440 L443	Y411-L415 WeakPolarHBondContact O-CG 3.44Å; Y411-L415 PolarHBondContact O-N 2.9Å; T412-L415 PolarHBondContact O-N 3.41Å; L415-S418 PolarHBondContact O-N 2.91Å; L415-L419 WeakPolarHBondContact O-CB 2.87Å; L415-L419 PolarHBondContact O-N 3.35Å; L415-I436 HydrophobicContact CB-CD1 4.18Å; L415-I436 HydrophobicContact CD2-CD1 3.8Å; L415-I436 VanDerWaalsContact O-CD1 3.27Å; L415-I436 WeakPolarHBondContact O-CD1 3.44Å; L415-M439 HydrophobicContact CD2-CB 4.07Å; L415-T440 WeakPolarHBondContact CD2-OG1 3.31Å; L415-L443 HydrophobicContact CD2-CD1 3.78Å; L415-L443 HydrophobicContact CG-CD1 3.81Å
416	M	98.6	Very high	97.8	Very high	46 Å²	46	13.8 Å²	13.8	23%	0.227	8%	0.075	C	C	.	.	H	α-helix	trans	-63.3	-44.5	173.8	-70.2	173	69.2	0	0	111.4	L346 V349 I353 T412 G413 L419 A420	L346-M416 HydrophobicContact CD1-CB 4.11Å; L346-M416 HydrophobicContact CD1-CE 3.83Å; L346-M416 HydrophobicContact CD1-CG 4.31Å; V349-M416 HydrophobicContact CB-CE 4.2Å; V349-M416 HydrophobicContact CG1-CE 3.73Å; I353-M416 HydrophobicContact CD1-CE 4.25Å; I353-M416 HydrophobicContact CD1-SD 3.74Å; T412-M416 WeakPolarHBondContact O-CG 3.38Å; T412-M416 PolarHBondContact O-N 2.9Å; G413-M416 WeakPolarHBondContact O-CB 3.2Å; G413-M416 PolarHBondContact O-N 3.21Å; M416-L419 PolarHBondContact O-N 3Å; M416-A420 PolarHBondContact O-N 2.99Å
417	G	98.1	Very high	97.8	Very high	6 Å²	6	21.5 Å²	21.5	6%	0.062	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-45.8	173.5	0	0	0	0	0	112	G413 D414 L419 A420 Y421	G413-G417 PolarHBondContact O-N 3.31Å; G413-G417 VanDerWaalsContact O-N 3.09Å; D414-G417 PolarHBondContact O-N 3.18Å; G417-L419 VanDerWaalsContact C-N 3.31Å; G417-L419 PolarHBondContact O-N 3.36Å; G417-A420 WeakPolarHBondContact O-CB 3.25Å; G417-A420 PolarHBondContact O-N 3.28Å; G417-A420 VanDerWaalsContact O-N 3.08Å; G417-Y421 WeakPolarHBondContact O-CD1 3.23Å; G417-Y421 WeakPolarHBondContact O-CE1 3.37Å; G417-Y421 VanDerWaalsContact O-CG 3.3Å; G417-Y421 PolarHBondContact O-N 2.98Å
418	S	98.4	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-43	176.6	-60.7	0	0	0	0	112.4	D414 L415 Y421 C422 Y435	D414-S418 WeakPolarHBondContact O-CB 3.21Å; D414-S418 PolarHBondContact O-N 3.05Å; D414-S418 PolarHBondContact O-OG 3.49Å; L415-S418 PolarHBondContact O-N 2.91Å; S418-Y421 PolarHBondContact O-N 2.75Å; S418-C422 PolarHBondContact O-N 2.89Å; S418-C422 PolarHBondContact O-SG 2.71Å; S418-Y435 WeakPolarHBondContact OG-CE1 3.44Å
419	L	98.6	Very high	97.5	Very high	70 Å²	70	26 Å²	26	37%	0.366	15%	0.148	S	C	.	.	H	α-helix	trans	-66.9	-39.1	175.7	179.7	60.7	0	0	0	111.6	L346 L415 M416 G417 Y421 C422 A423 Y433 I436	L346-L419 HydrophobicContact CD2-CB 4.32Å; L346-L419 HydrophobicContact CD2-CD2 4.05Å; L346-L419 HydrophobicContact CD2-CG 3.99Å; L415-L419 WeakPolarHBondContact O-CB 2.87Å; L415-L419 PolarHBondContact O-N 3.35Å; M416-L419 PolarHBondContact O-N 3Å; G417-L419 VanDerWaalsContact C-N 3.31Å; G417-L419 PolarHBondContact O-N 3.36Å; L419-Y421 VanDerWaalsContact C-N 3.33Å; L419-Y421 PolarHBondContact O-N 3.43Å; L419-C422 PolarHBondContact O-N 2.87Å; L419-A423 VanDerWaalsContact O-CB 3.29Å; L419-A423 WeakPolarHBondContact O-CB 3.05Å; L419-A423 PolarHBondContact O-N 3.3Å; L419-Y433 HydrophobicContact CD1-CE1 4.39Å; L419-I436 HydrophobicContact CB-CD1 4.16Å; L419-I436 HydrophobicContact CB-CG1 4.28Å
420	A	98.6	Very high	97.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-40.6	176.4	0	0	0	0	0	112	L279 V343 L346 M416 G417 C422 A423 A424	L279-A420 HydrophobicContact CD1-CB 4.02Å; V343-A420 HydrophobicContact CG1-CB 4.33Å; V343-A420 VanDerWaalsContact CG1-O 3.31Å; V343-A420 WeakPolarHBondContact CG1-O 3.27Å; L346-A420 HydrophobicContact CB-CB 4.3Å; L346-A420 HydrophobicContact CD2-CB 4.11Å; L346-A420 HydrophobicContact CG-CB 4.08Å; M416-A420 PolarHBondContact O-N 2.99Å; G417-A420 WeakPolarHBondContact O-CB 3.25Å; G417-A420 PolarHBondContact O-N 3.28Å; G417-A420 VanDerWaalsContact O-N 3.08Å; A420-C422 VanDerWaalsContact C-N 3.33Å; A420-C422 PolarHBondContact O-N 3.31Å; A420-A423 PolarHBondContact O-N 3.47Å; A420-A424 PolarHBondContact O-N 2.99Å
421	Y	98.3	Very high	97.4	Very high	8 Å²	8	30 Å²	30	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-46.8	175.4	-51	-20.9	0	0	0	110.9	L279 Q280 Y283 G417 S418 L419 A424 Y435	L279-Y421 HydrophobicContact CB-CD1 3.84Å; L279-Y421 HydrophobicContact CB-CE1 3.63Å; L279-Y421 HydrophobicContact CD1-CD1 4.45Å; Q280-Y421 HydrophobicContact CG-CD1 3.89Å; Q280-Y421 HydrophobicContact CG-CD2 3.89Å; Q280-Y421 HydrophobicContact CG-CE1 3.93Å; Q280-Y421 HydrophobicContact CG-CE2 3.91Å; Q280-Y421 HydrophobicContact CG-CG 3.9Å; Y283-Y421 WeakPolarHBondContact CB-OH 3.49Å; G417-Y421 WeakPolarHBondContact O-CD1 3.23Å; G417-Y421 WeakPolarHBondContact O-CE1 3.37Å; G417-Y421 VanDerWaalsContact O-CG 3.3Å; G417-Y421 PolarHBondContact O-N 2.98Å; S418-Y421 PolarHBondContact O-N 2.75Å; L419-Y421 VanDerWaalsContact C-N 3.33Å; L419-Y421 PolarHBondContact O-N 3.43Å; Y421-A424 WeakPolarHBondContact O-CB 3.48Å; Y421-Y435 HydrophobicContact CD2-CD1 4.05Å; Y421-Y435 AromaticContact CD2-CE1 3.53Å; Y421-Y435 HydrophobicContact CD2-CE1 3.53Å; Y421-Y435 AromaticContact CE2-CE1 3.84Å; Y421-Y435 HydrophobicContact CE2-CE1 3.84Å
422	C	98.6	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.4	-44.2	179.4	-56.6	0	0	0	0	112.1	S418 L419 A420 A424 C425 P432 Y433 I436	S418-C422 PolarHBondContact O-N 2.89Å; S418-C422 PolarHBondContact O-SG 2.71Å; L419-C422 PolarHBondContact O-N 2.87Å; A420-C422 VanDerWaalsContact C-N 3.33Å; A420-C422 PolarHBondContact O-N 3.31Å; C422-A424 PolarHBondContact O-N 2.91Å; C422-C425 VanDerWaalsContact O-CB 3.3Å; C422-C425 WeakPolarHBondContact O-CB 3.25Å; C422-C425 PolarHBondContact O-N 2.85Å; C422-P432 PolarHBondContact SG-O 3.45Å; C422-Y433 HydrophobicContact CB-CD1 3.64Å; C422-Y433 HydrophobicContact CB-CD2 4.47Å; C422-Y433 HydrophobicContact CB-CE1 3.75Å; C422-Y433 HydrophobicContact CB-CG 4.02Å; C422-I436 HydrophobicContact CB-CG2 4.48Å
423	A	98.4	Very high	97.5	Very high	15 Å²	15	29.6 Å²	29.6	12%	0.124	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-25.6	-178.4	0	0	0	0	0	112.9	V343 L419 A420 C425 G426	V343-A423 HydrophobicContact CG2-CB 3.92Å; L419-A423 VanDerWaalsContact O-CB 3.29Å; L419-A423 WeakPolarHBondContact O-CB 3.05Å; L419-A423 PolarHBondContact O-N 3.3Å; A420-A423 PolarHBondContact O-N 3.47Å; A423-C425 PolarHBondContact O-N 3.4Å; A423-G426 PolarHBondContact O-N 2.72Å; A423-G426 VanDerWaalsContact O-N 3.09Å
424	A	98.3	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.5	171.2	0	0	0	0	0	112.5	S272 L275 V276 V343 A420 Y421 C422 G426	S272-A424 WeakPolarHBondContact CB-O 3.4Å; L275-A424 HydrophobicContact CB-CB 4.44Å; V276-A424 HydrophobicContact CG2-CB 3.57Å; V343-A424 HydrophobicContact CG1-CB 4.04Å; A420-A424 PolarHBondContact O-N 2.99Å; Y421-A424 WeakPolarHBondContact O-CB 3.48Å; C422-A424 PolarHBondContact O-N 2.91Å; A424-G426 VanDerWaalsContact C-N 3.26Å; A424-G426 PolarHBondContact O-N 3.43Å
425	C	98.2	Very high	97.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.014	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.3	177.6	-58.9	0	0	0	0	114.2	Q324 Y327 C422 A423 P432	Q324-C425 VanDerWaalsContact CB-SG 3.53Å; Y327-C425 HydrophobicContact CD1-CB 3.62Å; Y327-C425 HydrophobicContact CE1-CB 3.72Å; Y327-C425 WeakPolarHBondContact CE1-O 3.47Å; C422-C425 VanDerWaalsContact O-CB 3.3Å; C422-C425 WeakPolarHBondContact O-CB 3.25Å; C422-C425 PolarHBondContact O-N 2.85Å; A423-C425 PolarHBondContact O-N 3.4Å; C425-P432 HydrophobicContact CB-CB 3.8Å; C425-P432 HydrophobicContact CB-CG 3.75Å
426	G	96.2	Very high	97.5	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	17%	0.172	C	C	.	.			trans	70.2	-158.4	-171.8	0	0	0	0	0	112.5	A423 A424 Y433	A423-G426 PolarHBondContact O-N 2.72Å; A423-G426 VanDerWaalsContact O-N 3.09Å; A424-G426 VanDerWaalsContact C-N 3.26Å; A424-G426 PolarHBondContact O-N 3.43Å; G426-Y433 WeakPolarHBondContact O-CE2 3.38Å; G426-Y433 PolarHBondContact O-OH 3.19Å
427	F	95.9	Very high	97.4	Very high	162 Å²	162	33 Å²	33	71%	0.711	19%	0.186	S	C	*	.	S	Bend	trans	-124.4	11	-171.7	-60.2	-82.1	0	0	0	113.9	H429 Y433	F427-H429 VanDerWaalsContact C-N 3.33Å; F427-H429 PolarHBondContact O-N 2.99Å; F427-Y433 HydrophobicContact CD1-CE2 4.46Å; F427-Y433 AromaticContact CD1-CZ 3.83Å; F427-Y433 WeakPolarHBondContact CD1-OH 3.22Å; F427-Y433 HydrophobicContact CE1-CE1 4.31Å; F427-Y433 AromaticContact CE1-CZ 3.91Å; F427-Y433 WeakPolarHBondContact CE1-OH 3.26Å
428	G	93	Very high	97.3	Very high	65 Å²	65	34.8 Å²	34.8	67%	0.67	19%	0.191	S	C	*	.	S	Bend	trans	-69.6	-29.9	-178.1	0	0	0	0	0	113.5
429	H	94.8	Very high	97.3	Very high	44 Å²	44	35 Å²	35	20%	0.204	19%	0.192	C	C	.	.			trans	-132.3	145.2	-177.1	-72.3	-114.9	0	0	0	111.3	E68 C69 Y327 H331 F427 Y433	E68-H429 PolarHBondContact O-CE1 3.25Å; C69-H429 PolarHBondContact O-ND1 3.41Å; C69-H429 VanDerWaalsContact O-ND1 3.11Å; Y327-H429 HydrophobicContact CD2-CB 4.39Å; Y327-H429 HydrophobicContact CE2-CB 3.64Å; Y327-H429 AromaticContact CE2-CD2 3.68Å; Y327-H429 AromaticContact CE2-CG 3.56Å; Y327-H429 AromaticContact CZ-CD2 3.95Å; Y327-H429 PolarHBondContact OH-CD2 2.94Å; H331-H429 AromaticContact CE1-NE2 3.72Å; H331-H429 AromaticContact NE2-CE1 3.89Å; H331-H429 AromaticContact NE2-NE2 3.83Å; F427-H429 VanDerWaalsContact C-N 3.33Å; F427-H429 PolarHBondContact O-N 2.99Å; H429-Y433 WeakPolarHBondContact O-CD2 3.01Å
430	I	96.5	Very high	97.2	Very high	117 Å²	117	34.2 Å²	34.2	60%	0.6	19%	0.19	S	C	*	.	S	Bend	trans	-84.3	-18	176	-167.2	165.6	0	0	0	112.9	I71 Y433 F434	I71-I430 HydrophobicContact CD1-CG2 3.32Å; I71-I430 HydrophobicContact CG1-CG2 3.58Å; I430-Y433 WeakPolarHBondContact O-CA 3.48Å; I430-Y433 WeakPolarHBondContact O-CB 3.43Å; I430-Y433 PolarHBondContact O-N 3.26Å; I430-F434 PolarHBondContact O-N 2.77Å
431	L	97.2	Very high	97.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-53.2	-48.3	-177.8	178.9	148	0	0	0	113	F60 A63 C69 I71 L323 Y433 F434	F60-L431 HydrophobicContact CD2-CG 4.49Å; A63-L431 HydrophobicContact CB-CD1 4.28Å; C69-L431 HydrophobicContact CB-CD1 4.06Å; C69-L431 HydrophobicContact CB-CD2 4.42Å; I71-L431 HydrophobicContact CG2-CB 4Å; I71-L431 HydrophobicContact CG2-CD1 3.9Å; I71-L431 HydrophobicContact CG2-CG 4.31Å; L323-L431 HydrophobicContact CB-CD2 4.14Å; L323-L431 HydrophobicContact CD2-CD2 4.14Å; L431-Y433 PolarHBondContact O-N 3.2Å; L431-F434 VanDerWaalsContact O-CB 3.32Å; L431-F434 WeakPolarHBondContact O-CB 3.43Å; L431-F434 PolarHBondContact O-N 2.89Å; L431-F434 VanDerWaalsContact O-N 3.16Å
432	P	97.8	Very high	96.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60	-30.7	176.8	-25.5	36.4	0	0	0	113.5	Q324 Y327 C422 C425 F434 Y435	Q324-P432 HydrophobicContact CG-CB 4.29Å; Y327-P432 HydrophobicContact CD1-CG 3.71Å; Y327-P432 HydrophobicContact CD2-CG 4Å; Y327-P432 HydrophobicContact CE1-CG 4.22Å; Y327-P432 HydrophobicContact CG-CG 3.59Å; C422-P432 PolarHBondContact SG-O 3.45Å; C425-P432 HydrophobicContact CB-CB 3.8Å; C425-P432 HydrophobicContact CB-CG 3.75Å; P432-F434 VanDerWaalsContact C-N 3.27Å; P432-F434 PolarHBondContact O-N 2.98Å; P432-Y435 PolarHBondContact O-N 2.96Å
433	Y	98.1	Very high	96.6	Very high	34 Å²	34	40.9 Å²	40.9	13%	0.133	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-78	-7.9	-178.1	-68.5	-94.2	0	0	0	113.8	L419 C422 G426 F427 H429 I430 L431 Y435 I436 V437	L419-Y433 HydrophobicContact CD1-CE1 4.39Å; C422-Y433 HydrophobicContact CB-CD1 3.64Å; C422-Y433 HydrophobicContact CB-CD2 4.47Å; C422-Y433 HydrophobicContact CB-CE1 3.75Å; C422-Y433 HydrophobicContact CB-CG 4.02Å; G426-Y433 WeakPolarHBondContact O-CE2 3.38Å; G426-Y433 PolarHBondContact O-OH 3.19Å; F427-Y433 HydrophobicContact CD1-CE2 4.46Å; F427-Y433 AromaticContact CD1-CZ 3.83Å; F427-Y433 WeakPolarHBondContact CD1-OH 3.22Å; F427-Y433 HydrophobicContact CE1-CE1 4.31Å; F427-Y433 AromaticContact CE1-CZ 3.91Å; F427-Y433 WeakPolarHBondContact CE1-OH 3.26Å; H429-Y433 WeakPolarHBondContact O-CD2 3.01Å; I430-Y433 WeakPolarHBondContact O-CA 3.48Å; I430-Y433 WeakPolarHBondContact O-CB 3.43Å; I430-Y433 PolarHBondContact O-N 3.26Å; L431-Y433 PolarHBondContact O-N 3.2Å; Y433-Y435 PolarHBondContact O-N 3.25Å; Y433-I436 HydrophobicContact CD1-CG2 4.17Å; Y433-I436 WeakPolarHBondContact O-CG2 3.35Å; Y433-I436 PolarHBondContact O-N 3.39Å; Y433-V437 WeakPolarHBondContact O-CG2 3.48Å; Y433-V437 PolarHBondContact O-N 3.38Å
434	F	97.4	Very high	96.5	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.193	23%	0.232	C	C	.	.	H	α-helix	trans	-53.7	-37.7	168.2	171.3	-97.8	0	0	0	111.7	F60 W316 L320 L323 I430 L431 P432 I436 V437 Y438	F60-F434 HydrophobicContact CD2-CD1 4.44Å; F60-F434 HydrophobicContact CD2-CG 4.45Å; F60-F434 HydrophobicContact CE2-CB 3.55Å; F60-F434 AromaticContact CE2-CD1 3.66Å; F60-F434 HydrophobicContact CE2-CD1 3.66Å; F60-F434 AromaticContact CE2-CD2 3.65Å; F60-F434 HydrophobicContact CE2-CD2 3.65Å; F60-F434 HydrophobicContact CE2-CE1 4.26Å; F60-F434 HydrophobicContact CE2-CE2 4.23Å; F60-F434 AromaticContact CE2-CG 3.32Å; F60-F434 HydrophobicContact CE2-CG 3.32Å; F60-F434 HydrophobicContact CE2-CZ 4.5Å; F60-F434 HydrophobicContact CZ-CB 4.09Å; F60-F434 HydrophobicContact CZ-CD1 4.37Å; F60-F434 AromaticContact CZ-CD2 3.54Å; F60-F434 HydrophobicContact CZ-CD2 3.54Å; F60-F434 HydrophobicContact CZ-CE2 4.01Å; F60-F434 AromaticContact CZ-CG 3.74Å; F60-F434 HydrophobicContact CZ-CG 3.74Å; W316-F434 AromaticContact CH2-CZ 3.88Å; W316-F434 HydrophobicContact CH2-CZ 3.88Å; W316-F434 HydrophobicContact CZ2-CE1 4.12Å; W316-F434 AromaticContact CZ2-CZ 3.75Å; W316-F434 HydrophobicContact CZ2-CZ 3.75Å; L320-F434 HydrophobicContact CB-CE1 4.15Å; L320-F434 HydrophobicContact CD1-CE1 3.63Å; L320-F434 HydrophobicContact CD1-CZ 4.02Å; L320-F434 HydrophobicContact CG-CE1 4.36Å; L323-F434 HydrophobicContact CD1-CB 4.5Å; L323-F434 HydrophobicContact CD1-CD1 3.91Å; I430-F434 PolarHBondContact O-N 2.77Å; L431-F434 VanDerWaalsContact O-CB 3.32Å; L431-F434 WeakPolarHBondContact O-CB 3.43Å; L431-F434 PolarHBondContact O-N 2.89Å; L431-F434 VanDerWaalsContact O-N 3.16Å; P432-F434 VanDerWaalsContact C-N 3.27Å; P432-F434 PolarHBondContact O-N 2.98Å; F434-I436 PolarHBondContact O-N 3.49Å; F434-V437 PolarHBondContact O-N 3.46Å; F434-Y438 HydrophobicContact CE1-CG 4.41Å; F434-Y438 WeakPolarHBondContact O-CB 3.21Å; F434-Y438 PolarHBondContact O-N 3.28Å
435	Y	97.6	Very high	96.1	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-48.7	-177.5	-175.8	-100.9	0	0	0	112.8	Y321 S418 Y421 P432 Y433 V437 Y438 M439	Y321-Y435 HydrophobicContact CD1-CD2 4.29Å; Y321-Y435 AromaticContact CD1-CE2 3.74Å; Y321-Y435 HydrophobicContact CD1-CE2 3.74Å; Y321-Y435 AromaticContact CD2-CE2 3.67Å; Y321-Y435 HydrophobicContact CD2-CE2 3.67Å; Y321-Y435 HydrophobicContact CE1-CE2 4.08Å; Y321-Y435 HydrophobicContact CE2-CE2 4.01Å; Y321-Y435 HydrophobicContact CG-CD2 4.32Å; Y321-Y435 AromaticContact CG-CE2 3.51Å; Y321-Y435 HydrophobicContact CG-CE2 3.51Å; S418-Y435 WeakPolarHBondContact OG-CE1 3.44Å; Y421-Y435 HydrophobicContact CD2-CD1 4.05Å; Y421-Y435 AromaticContact CD2-CE1 3.53Å; Y421-Y435 HydrophobicContact CD2-CE1 3.53Å; Y421-Y435 AromaticContact CE2-CE1 3.84Å; Y421-Y435 HydrophobicContact CE2-CE1 3.84Å; P432-Y435 PolarHBondContact O-N 2.96Å; Y433-Y435 PolarHBondContact O-N 3.25Å; Y435-V437 VanDerWaalsContact C-N 3.33Å; Y435-V437 PolarHBondContact O-N 2.92Å; Y435-Y438 PolarHBondContact O-N 2.89Å; Y435-M439 HydrophobicContact CD1-CG 4.12Å; Y435-M439 HydrophobicContact CD2-CG 4.41Å; Y435-M439 HydrophobicContact CE1-CG 3.72Å; Y435-M439 HydrophobicContact CE2-CG 4.02Å; Y435-M439 HydrophobicContact CE2-SD 4.44Å; Y435-M439 HydrophobicContact CG-CG 4.45Å; Y435-M439 WeakPolarHBondContact O-CB 3.33Å; Y435-M439 VanDerWaalsContact O-CG 3.32Å; Y435-M439 WeakPolarHBondContact O-CG 3.41Å; Y435-M439 PolarHBondContact O-N 3.36Å
436	I	98.1	Very high	95.7	Very high	25 Å²	25	49.8 Å²	49.8	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-36.4	178	-179.8	61.2	0	0	0	111.8	L415 L419 C422 Y433 F434 T440	L415-I436 HydrophobicContact CB-CD1 4.18Å; L415-I436 HydrophobicContact CD2-CD1 3.8Å; L415-I436 VanDerWaalsContact O-CD1 3.27Å; L415-I436 WeakPolarHBondContact O-CD1 3.44Å; L419-I436 HydrophobicContact CB-CD1 4.16Å; L419-I436 HydrophobicContact CB-CG1 4.28Å; C422-I436 HydrophobicContact CB-CG2 4.48Å; Y433-I436 HydrophobicContact CD1-CG2 4.17Å; Y433-I436 WeakPolarHBondContact O-CG2 3.35Å; Y433-I436 PolarHBondContact O-N 3.39Å; F434-I436 PolarHBondContact O-N 3.49Å; I436-T440 WeakPolarHBondContact O-CB 3.4Å; I436-T440 PolarHBondContact O-N 2.7Å; I436-T440 PolarHBondContact O-OG1 3.05Å
437	V	97.9	Very high	95.5	Very high	84 Å²	84	49.2 Å²	49.2	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-50.1	175.4	173.9	0	0	0	0	110.4	Y433 F434 Y435 T440 I441	Y433-V437 WeakPolarHBondContact O-CG2 3.48Å; Y433-V437 PolarHBondContact O-N 3.38Å; F434-V437 PolarHBondContact O-N 3.46Å; Y435-V437 VanDerWaalsContact C-N 3.33Å; Y435-V437 PolarHBondContact O-N 2.92Å; V437-T440 WeakPolarHBondContact O-CB 3.12Å; V437-T440 PolarHBondContact O-N 2.91Å; V437-I441 HydrophobicContact CG1-CD1 4.1Å; V437-I441 WeakPolarHBondContact O-CG1 3.01Å; V437-I441 PolarHBondContact O-N 3.18Å
438	Y	96.2	Very high	95.3	Very high	43 Å²	43	44.9 Å²	44.9	17%	0.169	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-48.6	177	163.4	-102.6	0	0	0	111.8	W316 Y321 F434 Y435 T440 I441 L442	W316-Y438 AromaticContact CD1-CZ 3.97Å; W316-Y438 AromaticContact CE2-CE2 3.67Å; W316-Y438 AromaticContact CE2-CZ 3.93Å; W316-Y438 AromaticContact CZ2-CD2 3.55Å; W316-Y438 HydrophobicContact CZ2-CD2 3.55Å; W316-Y438 AromaticContact CZ2-CE2 3.59Å; W316-Y438 HydrophobicContact CZ2-CE2 3.59Å; W316-Y438 HydrophobicContact CZ2-CG 4.19Å; W316-Y438 AromaticContact NE1-CD2 3.93Å; W316-Y438 AromaticContact NE1-CE1 3.51Å; W316-Y438 AromaticContact NE1-CE2 3.35Å; W316-Y438 AromaticContact NE1-CZ 3.12Å; W316-Y438 PolarHBondContact NE1-OH 2.97Å; Y321-Y438 HydrophobicContact CE1-CD1 4.31Å; Y321-Y438 AromaticContact CE1-CE1 3.6Å; Y321-Y438 HydrophobicContact CE1-CE1 3.6Å; Y321-Y438 AromaticContact CZ-CE1 3.89Å; Y321-Y438 WeakPolarHBondContact OH-CE1 3.46Å; F434-Y438 HydrophobicContact CE1-CG 4.41Å; F434-Y438 WeakPolarHBondContact O-CB 3.21Å; F434-Y438 PolarHBondContact O-N 3.28Å; Y435-Y438 PolarHBondContact O-N 2.89Å; Y438-T440 VanDerWaalsContact C-N 3.27Å; Y438-T440 PolarHBondContact O-N 2.88Å; Y438-I441 PolarHBondContact O-N 2.85Å; Y438-L442 HydrophobicContact CE1-CD2 4.19Å; Y438-L442 WeakPolarHBondContact O-CB 3.33Å; Y438-L442 PolarHBondContact O-N 3.22Å
439	M	97.2	Very high	95.1	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.025	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-37	178.5	-76.3	-62.9	-69.9	0	0	111.7	D414 L415 Y435 L442 L443	D414-M439 WeakPolarHBondContact OD2-CE 3.48Å; L415-M439 HydrophobicContact CD2-CB 4.07Å; Y435-M439 HydrophobicContact CD1-CG 4.12Å; Y435-M439 HydrophobicContact CD2-CG 4.41Å; Y435-M439 HydrophobicContact CE1-CG 3.72Å; Y435-M439 HydrophobicContact CE2-CG 4.02Å; Y435-M439 HydrophobicContact CE2-SD 4.44Å; Y435-M439 HydrophobicContact CG-CG 4.45Å; Y435-M439 WeakPolarHBondContact O-CB 3.33Å; Y435-M439 VanDerWaalsContact O-CG 3.32Å; Y435-M439 WeakPolarHBondContact O-CG 3.41Å; Y435-M439 PolarHBondContact O-N 3.36Å; M439-L442 PolarHBondContact O-N 3.47Å; M439-L442 HydrophobicContact SD-CD2 4.08Å; M439-L443 HydrophobicContact CE-CD1 4.14Å; M439-L443 HydrophobicContact CE-CG 4.46Å; M439-L443 VanDerWaalsContact O-CB 3.27Å; M439-L443 WeakPolarHBondContact O-CB 3.36Å; M439-L443 VanDerWaalsContact O-CG 3.24Å; M439-L443 WeakPolarHBondContact O-CG 3.37Å; M439-L443 PolarHBondContact O-N 3.05Å
440	T	97.4	Very high	94.8	Very high	54 Å²	54	44.8 Å²	44.8	33%	0.331	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-49.4	174	-58	0	0	0	0	111.2	L415 I436 V437 Y438 L442 L443 V444	L415-T440 WeakPolarHBondContact CD2-OG1 3.31Å; I436-T440 WeakPolarHBondContact O-CB 3.4Å; I436-T440 PolarHBondContact O-N 2.7Å; I436-T440 PolarHBondContact O-OG1 3.05Å; V437-T440 WeakPolarHBondContact O-CB 3.12Å; V437-T440 PolarHBondContact O-N 2.91Å; Y438-T440 VanDerWaalsContact C-N 3.27Å; Y438-T440 PolarHBondContact O-N 2.88Å; T440-L442 PolarHBondContact O-N 3.06Å; T440-L443 PolarHBondContact O-N 2.79Å; T440-V444 HydrophobicContact CG2-CG2 4.33Å; T440-V444 WeakPolarHBondContact O-CB 3.49Å; T440-V444 VanDerWaalsContact O-CG2 3.23Å; T440-V444 WeakPolarHBondContact O-CG2 3.49Å; T440-V444 PolarHBondContact O-N 2.95Å
441	I	95.7	Very high	94.6	Very high	114 Å²	114	39.9 Å²	39.9	59%	0.585	20%	0.2	S	C	*	.	H	α-helix	trans	-60.3	-47.5	177.8	-65.5	166	0	0	0	110.5	V437 Y438 H445	V437-I441 HydrophobicContact CG1-CD1 4.1Å; V437-I441 WeakPolarHBondContact O-CG1 3.01Å; V437-I441 PolarHBondContact O-N 3.18Å; Y438-I441 PolarHBondContact O-N 2.85Å; I441-H445 VanDerWaalsContact O-CB 3.28Å; I441-H445 WeakPolarHBondContact O-CB 3.43Å; I441-H445 PolarHBondContact O-N 2.72Å
442	L	92.9	Very high	94.2	Very high	28 Å²	28	46 Å²	46	15%	0.147	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-49.6	179.6	-180	70	0	0	0	111.6	Y438 M439 T440 H445 R446	Y438-L442 HydrophobicContact CE1-CD2 4.19Å; Y438-L442 WeakPolarHBondContact O-CB 3.33Å; Y438-L442 PolarHBondContact O-N 3.22Å; M439-L442 PolarHBondContact O-N 3.47Å; M439-L442 HydrophobicContact SD-CD2 4.08Å; T440-L442 PolarHBondContact O-N 3.06Å; L442-H445 PolarHBondContact O-N 3.06Å; L442-R446 VanDerWaalsContact O-CB 3.25Å; L442-R446 WeakPolarHBondContact O-CB 3.5Å; L442-R446 PolarHBondContact O-N 2.92Å
443	L	94.8	Very high	93.6	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-73.4	-34.8	-175.4	-69.5	175.5	0	0	0	112.5	Y411 D414 L415 M439 T440 R446 C447	Y411-L443 HydrophobicContact CD1-CD2 3.73Å; Y411-L443 HydrophobicContact CD2-CB 4.44Å; Y411-L443 HydrophobicContact CD2-CD2 4.32Å; Y411-L443 HydrophobicContact CE1-CD2 4.07Å; Y411-L443 HydrophobicContact CG-CB 4.42Å; Y411-L443 HydrophobicContact CG-CD2 3.88Å; D414-L443 HydrophobicContact CB-CD1 4Å; L415-L443 HydrophobicContact CD2-CD1 3.78Å; L415-L443 HydrophobicContact CG-CD1 3.81Å; M439-L443 HydrophobicContact CE-CD1 4.14Å; M439-L443 HydrophobicContact CE-CG 4.46Å; M439-L443 VanDerWaalsContact O-CB 3.27Å; M439-L443 WeakPolarHBondContact O-CB 3.36Å; M439-L443 VanDerWaalsContact O-CG 3.24Å; M439-L443 WeakPolarHBondContact O-CG 3.37Å; M439-L443 PolarHBondContact O-N 3.05Å; T440-L443 PolarHBondContact O-N 2.79Å; L443-R446 PolarHBondContact O-N 3.5Å; L443-C447 WeakPolarHBondContact O-CB 3.22Å; L443-C447 PolarHBondContact O-N 3.04Å
444	V	94.8	Very high	93.2	Very high	46 Å²	46	49.1 Å²	49.1	28%	0.279	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-47.5	171.7	170.2	0	0	0	0	110.2	T440 R446 C447 V448 L473 F478	T440-V444 HydrophobicContact CG2-CG2 4.33Å; T440-V444 WeakPolarHBondContact O-CB 3.49Å; T440-V444 VanDerWaalsContact O-CG2 3.23Å; T440-V444 WeakPolarHBondContact O-CG2 3.49Å; T440-V444 PolarHBondContact O-N 2.95Å; V444-R446 VanDerWaalsContact C-N 3.34Å; V444-R446 PolarHBondContact O-N 2.66Å; V444-C447 WeakPolarHBondContact O-CB 3.44Å; V444-C447 PolarHBondContact O-N 3.22Å; V444-V448 WeakPolarHBondContact O-CG2 3.01Å; V444-V448 PolarHBondContact O-N 3.24Å; V444-L473 HydrophobicContact CG2-CD1 3.96Å; V444-F478 HydrophobicContact CG1-CE1 4.35Å; V444-F478 HydrophobicContact CG1-CZ 4.31Å; V444-F478 HydrophobicContact CG2-CE1 4.36Å
445	H	90.8	Very high	93	Very high	106 Å²	106	49.3 Å²	49.3	49%	0.491	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-43.3	176.3	178.8	-116.3	0	0	0	111.8	I441 L442 V448 R449	I441-H445 VanDerWaalsContact O-CB 3.28Å; I441-H445 WeakPolarHBondContact O-CB 3.43Å; I441-H445 PolarHBondContact O-N 2.72Å; L442-H445 PolarHBondContact O-N 3.06Å; H445-V448 PolarHBondContact O-N 2.83Å; H445-R449 WeakPolarHBondContact CE1-CD 3.49Å; H445-R449 WeakPolarHBondContact O-CG 3.31Å; H445-R449 PolarHBondContact O-N 2.76Å
446	R	90	Very high	92.5	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-41.9	176.2	-168.6	173.4	-174	133.4	-5.5	112	I298 D299 L442 L443 V444 R449 D450	I298-R446 VanDerWaalsContact CG2-NH2 3.29Å; D299-R446 IonicContact OD1-NH1 2.75Å; D299-R446 IonicContact OD2-CZ 2.7Å; D299-R446 IonicContact OD2-NH1 2.98Å; D299-R446 PolarHBondContact OD2-NH1 3.04Å; D299-R446 IonicContact OD2-NH2 3.5Å; D299-R446 PolarHBondContact OD2-NH2 3.33Å; L442-R446 VanDerWaalsContact O-CB 3.25Å; L442-R446 WeakPolarHBondContact O-CB 3.5Å; L442-R446 PolarHBondContact O-N 2.92Å; L443-R446 PolarHBondContact O-N 3.5Å; V444-R446 VanDerWaalsContact C-N 3.34Å; V444-R446 PolarHBondContact O-N 2.66Å; R446-R449 PolarHBondContact O-N 3.39Å; R446-D450 WeakPolarHBondContact O-CB 3.3Å; R446-D450 PolarHBondContact O-N 3.38Å
447	C	92.3	Very high	92	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-54.3	174.9	172.9	0	0	0	0	110.9	H408 Y411 L443 V444 R449 D450 E451	H408-C447 PolarHBondContact CD2-SG 3.29Å; Y411-C447 HydrophobicContact CD2-CB 4.28Å; Y411-C447 HydrophobicContact CE2-CB 4.18Å; L443-C447 WeakPolarHBondContact O-CB 3.22Å; L443-C447 PolarHBondContact O-N 3.04Å; V444-C447 WeakPolarHBondContact O-CB 3.44Å; V444-C447 PolarHBondContact O-N 3.22Å; C447-R449 VanDerWaalsContact C-N 3.3Å; C447-R449 PolarHBondContact O-N 3.27Å; C447-D450 PolarHBondContact O-N 3.44Å; C447-D450 VanDerWaalsContact O-N 3.12Å; C447-E451 WeakPolarHBondContact O-CG 3.36Å; C447-E451 PolarHBondContact O-N 3Å
448	V	91.2	Very high	91.6	Very high	71 Å²	71	52.4 Å²	52.4	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-41.5	-179.2	173.9	0	0	0	0	111.8	V444 H445 E451 H452	V444-V448 WeakPolarHBondContact O-CG2 3.01Å; V444-V448 PolarHBondContact O-N 3.24Å; H445-V448 PolarHBondContact O-N 2.83Å; V448-E451 PolarHBondContact O-N 2.85Å; V448-H452 WeakPolarHBondContact O-CB 3.3Å; V448-H452 PolarHBondContact O-N 2.9Å
449	R	88.2	Confident	91.4	Very high	66 Å²	66	51.9 Å²	51.9	25%	0.249	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-43.8	175.7	-74.7	179.1	63.2	-155.2	-0.4	112.4	D303 H445 R446 C447 R453	D303-R449 IonicContact OD1-CZ 3.44Å; D303-R449 IonicContact OD1-NH1 3.06Å; D303-R449 IonicContact OD1-NH2 3.5Å; D303-R449 PolarHBondContact OD1-NH2 2.84Å; D303-R449 IonicContact OD2-NH1 3.59Å; D303-R449 IonicContact OD2-NH2 2.97Å; H445-R449 WeakPolarHBondContact CE1-CD 3.49Å; H445-R449 WeakPolarHBondContact O-CG 3.31Å; H445-R449 PolarHBondContact O-N 2.76Å; R446-R449 PolarHBondContact O-N 3.39Å; C447-R449 VanDerWaalsContact C-N 3.3Å; C447-R449 PolarHBondContact O-N 3.27Å; R449-R453 VanDerWaalsContact O-CG 3.32Å; R449-R453 WeakPolarHBondContact O-CG 3.34Å; R449-R453 PolarHBondContact O-N 2.63Å; R449-R453 VanDerWaalsContact O-N 3.15Å
450	D	88.4	Confident	91.3	Very high	42 Å²	42	60.3 Å²	60.3	23%	0.225	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-42.4	179	-162.9	54.9	0	0	0	111.3	H408 R446 C447 H452 R453 C454	H408-D450 IonicContact CE1-OD2 2.89Å; H408-D450 PolarHBondContact CE1-OD2 2.95Å; R446-D450 WeakPolarHBondContact O-CB 3.3Å; R446-D450 PolarHBondContact O-N 3.38Å; C447-D450 PolarHBondContact O-N 3.44Å; C447-D450 VanDerWaalsContact O-N 3.12Å; D450-H452 PolarHBondContact O-N 2.93Å; D450-R453 WeakPolarHBondContact O-CB 3.39Å; D450-R453 PolarHBondContact O-N 2.84Å; D450-R453 IonicContact OD1-CZ 2.71Å; D450-R453 IonicContact OD1-NH1 3.34Å; D450-R453 PolarHBondContact OD1-NH1 3.2Å; D450-R453 VanDerWaalsContact OD1-NH1 3.09Å; D450-C454 WeakPolarHBondContact O-CB 3.47Å; D450-C454 PolarHBondContact O-N 2.89Å; D450-C454 PolarHBondContact O-SG 2.86Å
451	E	92.3	Very high	91.2	Very high	13 Å²	13	59.6 Å²	59.6	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-42.4	175.7	-67.3	-160.3	152.9	0	0	112.6	R407 C447 V448 R453 C454 S455 W462 R472	R407-E451 IonicContact CZ-OE1 2.74Å; R407-E451 IonicContact NE-OE1 3.09Å; R407-E451 PolarHBondContact NE-OE1 3.44Å; R407-E451 IonicContact NH2-OE1 3.77Å; R407-E451 PolarHBondContact NH2-OE1 2.82Å; R407-E451 IonicContact NH2-OE2 3.15Å; C447-E451 WeakPolarHBondContact O-CG 3.36Å; C447-E451 PolarHBondContact O-N 3Å; V448-E451 PolarHBondContact O-N 2.85Å; E451-R453 VanDerWaalsContact C-N 3.26Å; E451-R453 PolarHBondContact O-N 3.25Å; E451-C454 PolarHBondContact O-N 3.08Å; E451-S455 VanDerWaalsContact O-CB 3.3Å; E451-S455 WeakPolarHBondContact O-CB 3.17Å; E451-S455 PolarHBondContact O-N 2.81Å; E451-W462 HydrophobicContact CB-CZ2 4.13Å; E451-W462 HydrophobicContact CG-CZ2 3.97Å; E451-R472 WeakPolarHBondContact OE1-CG 3.41Å; E451-R472 IonicContact OE1-NE 3.5Å; E451-R472 PolarHBondContact OE1-NE 2.9Å; E451-R472 IonicContact OE2-CZ 3.31Å; E451-R472 VanDerWaalsContact OE2-CZ 3.31Å; E451-R472 IonicContact OE2-NE 3.27Å; E451-R472 PolarHBondContact OE2-NE 3.45Å; E451-R472 IonicContact OE2-NH2 2.77Å; E451-R472 PolarHBondContact OE2-NH2 3.34Å
452	H	89.9	Confident	91.2	Very high	130 Å²	130	55 Å²	55	60%	0.602	28%	0.278	S	S	*	.	H	α-helix	trans	-59.4	-41.8	175.9	-176.8	69.1	0	0	0	110.9	V448 D450 S455 S456	V448-H452 WeakPolarHBondContact O-CB 3.3Å; V448-H452 PolarHBondContact O-N 2.9Å; D450-H452 PolarHBondContact O-N 2.93Å; H452-S455 PolarHBondContact O-N 2.91Å; H452-S456 PolarHBondContact O-N 3.15Å; H452-S456 PolarHBondContact O-OG 2.87Å; H452-S456 VanDerWaalsContact O-OG 3.1Å
453	R	84.9	Confident	91.3	Very high	82 Å²	82	61.8 Å²	61.8	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-45	175.8	-72.4	172.2	53.7	-127	-15.4	112.4	H302 R449 D450 E451 S455 S456 K457	H302-R453 PolarHBondContact CD2-NH1 3.36Å; H302-R453 PolarHBondContact CD2-NH2 2.85Å; H302-R453 PolarHBondContact CE1-NH2 3.21Å; H302-R453 VanDerWaalsContact CE1-NH2 3.27Å; H302-R453 PolarHBondContact NE2-NH2 3.1Å; R449-R453 VanDerWaalsContact O-CG 3.32Å; R449-R453 WeakPolarHBondContact O-CG 3.34Å; R449-R453 PolarHBondContact O-N 2.63Å; R449-R453 VanDerWaalsContact O-N 3.15Å; D450-R453 WeakPolarHBondContact O-CB 3.39Å; D450-R453 PolarHBondContact O-N 2.84Å; D450-R453 IonicContact OD1-CZ 2.71Å; D450-R453 IonicContact OD1-NH1 3.34Å; D450-R453 PolarHBondContact OD1-NH1 3.2Å; D450-R453 VanDerWaalsContact OD1-NH1 3.09Å; E451-R453 VanDerWaalsContact C-N 3.26Å; E451-R453 PolarHBondContact O-N 3.25Å; R453-S455 VanDerWaalsContact C-N 3.3Å; R453-S455 PolarHBondContact O-N 3.24Å; R453-S456 PolarHBondContact O-N 3.38Å; R453-K457 VanDerWaalsContact O-CB 3.27Å; R453-K457 WeakPolarHBondContact O-CB 3.19Å; R453-K457 PolarHBondContact O-N 2.72Å
454	C	89.9	Confident	91.4	Very high	20 Å²	20	68.8 Å²	68.8	14%	0.135	33%	0.328	C	S	.	.	H	α-helix	trans	-63.2	-38.1	177.1	-76.2	0	0	0	0	111.8	D450 E451 K457 Y458 W462	D450-C454 WeakPolarHBondContact O-CB 3.47Å; D450-C454 PolarHBondContact O-N 2.89Å; D450-C454 PolarHBondContact O-SG 2.86Å; E451-C454 PolarHBondContact O-N 3.08Å; C454-K457 PolarHBondContact O-N 2.79Å; C454-Y458 HydrophobicContact CB-CD2 4.22Å; C454-Y458 HydrophobicContact CB-CE2 4.46Å; C454-Y458 WeakPolarHBondContact O-CD2 3.44Å; C454-Y458 PolarHBondContact O-N 3.18Å; C454-W462 HydrophobicContact CB-CD2 3.61Å; C454-W462 HydrophobicContact CB-CE3 3.54Å; C454-W462 HydrophobicContact CB-CG 4.39Å; C454-W462 HydrophobicContact CB-CH2 3.62Å; C454-W462 HydrophobicContact CB-CZ2 3.71Å; C454-W462 HydrophobicContact CB-CZ3 3.54Å
455	S	91.6	Very high	91.6	Very high	48 Å²	48	67 Å²	67	34%	0.336	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-47.5	173	-175.2	0	0	0	0	111.8	E451 H452 R453 K457 G459 W462	E451-S455 VanDerWaalsContact O-CB 3.3Å; E451-S455 WeakPolarHBondContact O-CB 3.17Å; E451-S455 PolarHBondContact O-N 2.81Å; H452-S455 PolarHBondContact O-N 2.91Å; R453-S455 VanDerWaalsContact C-N 3.3Å; R453-S455 PolarHBondContact O-N 3.24Å; S455-K457 VanDerWaalsContact C-N 3.28Å; S455-K457 PolarHBondContact O-N 2.86Å; S455-G459 VanDerWaalsContact O-CA 3.28Å; S455-G459 WeakPolarHBondContact O-CA 3.42Å; S455-G459 PolarHBondContact O-N 3.41Å; S455-W462 VanDerWaalsContact CB-CD1 3.47Å
456	S	88.1	Confident	91.9	Very high	74 Å²	74	63.4 Å²	63.4	52%	0.517	30%	0.302	S	S	.	.	H	α-helix	trans	-65.5	-31.9	177.3	-63.9	0	0	0	0	112.7	H452 R453	H452-S456 PolarHBondContact O-N 3.15Å; H452-S456 PolarHBondContact O-OG 2.87Å; H452-S456 VanDerWaalsContact O-OG 3.1Å; R453-S456 PolarHBondContact O-N 3.38Å
457	K	87.4	Confident	92.2	Very high	82 Å²	82	67 Å²	67	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-80	-48.5	-179.3	-175.1	-179.1	178.6	-167.4	0	113.3	Y385 R453 C454 S455	Y385-K457 WeakPolarHBondContact CB-O 3.32Å; Y385-K457 HydrophobicContact CD2-CD 4.36Å; Y385-K457 HydrophobicContact CD2-CG 4.03Å; Y385-K457 HydrophobicContact CG-CD 4.4Å; Y385-K457 VanDerWaalsContact CG-CE 3.48Å; Y385-K457 HydrophobicContact CG-CG 3.94Å; Y385-K457 VanDerWaalsContact CZ-NZ 3.32Å; Y385-K457 PolarHBondContact OH-NZ 3.33Å; R453-K457 VanDerWaalsContact O-CB 3.27Å; R453-K457 WeakPolarHBondContact O-CB 3.19Å; R453-K457 PolarHBondContact O-N 2.72Å; C454-K457 PolarHBondContact O-N 2.79Å; S455-K457 VanDerWaalsContact C-N 3.28Å; S455-K457 PolarHBondContact O-N 2.86Å
458	Y	90.4	Very high	92.4	Very high	18 Å²	18	70.6 Å²	70.6	7%	0.071	35%	0.347	C	S	.	.	H	α-helix	trans	-105.1	-8	-171.1	-53.5	-63.4	0	0	0	113.5	C383 Y385 L397 C454 K460 D461 W462	C383-Y458 HydrophobicContact CB-CD1 3.65Å; C383-Y458 HydrophobicContact CB-CE1 4.18Å; C383-Y458 HydrophobicContact CB-CG 4.27Å; Y385-Y458 HydrophobicContact CD1-CD1 4.07Å; Y385-Y458 AromaticContact CD1-CE1 3.63Å; Y385-Y458 HydrophobicContact CD1-CE1 3.63Å; Y385-Y458 HydrophobicContact CE1-CE1 4.09Å; Y385-Y458 HydrophobicContact CG-CD1 4.49Å; Y385-Y458 HydrophobicContact CG-CE1 4.32Å; L397-Y458 HydrophobicContact CD1-CD2 4.22Å; L397-Y458 HydrophobicContact CD2-CD2 4.32Å; L397-Y458 HydrophobicContact CD2-CE2 3.88Å; C454-Y458 HydrophobicContact CB-CD2 4.22Å; C454-Y458 HydrophobicContact CB-CE2 4.46Å; C454-Y458 WeakPolarHBondContact O-CD2 3.44Å; C454-Y458 PolarHBondContact O-N 3.18Å; Y458-K460 PolarHBondContact O-N 2.82Å; Y458-K460 VanDerWaalsContact O-N 3.09Å; Y458-D461 PolarHBondContact O-N 2.83Å; Y458-W462 HydrophobicContact CD2-CE3 4.3Å
459	G	91.8	Very high	92.7	Very high	33 Å²	33	67.2 Å²	67.2	34%	0.34	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	-114.9	172.1	0	0	0	0	0	113.6	S455 D461 W462 R463	S455-G459 VanDerWaalsContact O-CA 3.28Å; S455-G459 WeakPolarHBondContact O-CA 3.42Å; S455-G459 PolarHBondContact O-N 3.41Å; G459-D461 VanDerWaalsContact C-N 3.32Å; G459-D461 PolarHBondContact O-N 3.16Å; G459-W462 WeakPolarHBondContact O-CB 3.46Å; G459-W462 PolarHBondContact O-N 3.34Å; G459-R463 PolarHBondContact O-N 3.25Å
460	K	94.3	Very high	93.1	Very high	182 Å²	182	67.4 Å²	67.4	79%	0.791	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-35.1	-178.7	-65.4	-179.2	-178	176.5	0	112.7	Y458 W462 R463 R464	Y458-K460 PolarHBondContact O-N 2.82Å; Y458-K460 VanDerWaalsContact O-N 3.09Å; K460-W462 VanDerWaalsContact C-N 3.28Å; K460-W462 PolarHBondContact O-N 2.89Å; K460-R463 WeakPolarHBondContact O-CB 3.12Å; K460-R463 PolarHBondContact O-N 2.86Å; K460-R464 PolarHBondContact O-N 3.37Å; K460-R464 VanDerWaalsContact O-N 3.07Å
461	D	95	Very high	93.6	Very high	39 Å²	39	69.7 Å²	69.7	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-31.2	179.3	-59.8	-36.2	0	0	0	111.2	I381 C383 S384 Y458 G459 R464 Y465	I381-D461 HydrophobicContact CG2-CB 4.4Å; C383-D461 VanDerWaalsContact CA-OD2 3.26Å; C383-D461 WeakPolarHBondContact CA-OD2 3.22Å; C383-D461 HydrophobicContact CB-CB 3.92Å; C383-D461 VanDerWaalsContact SG-CB 3.54Å; S384-D461 PolarHBondContact N-OD2 3.45Å; Y458-D461 PolarHBondContact O-N 2.83Å; G459-D461 VanDerWaalsContact C-N 3.32Å; G459-D461 PolarHBondContact O-N 3.16Å; D461-R464 PolarHBondContact O-N 3.41Å; D461-Y465 PolarHBondContact O-N 2.88Å
462	W	96.1	Very high	93.8	Very high	17 Å²	17	72.6 Å²	72.6	6%	0.064	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-42.4	170.7	-173	-114.6	0	0	0	112	L397 E451 C454 S455 Y458 G459 K460 R464 Y465 T466	L397-W462 HydrophobicContact CD1-CE3 3.84Å; L397-W462 HydrophobicContact CD1-CZ3 4.21Å; E451-W462 HydrophobicContact CB-CZ2 4.13Å; E451-W462 HydrophobicContact CG-CZ2 3.97Å; C454-W462 HydrophobicContact CB-CD2 3.61Å; C454-W462 HydrophobicContact CB-CE3 3.54Å; C454-W462 HydrophobicContact CB-CG 4.39Å; C454-W462 HydrophobicContact CB-CH2 3.62Å; C454-W462 HydrophobicContact CB-CZ2 3.71Å; C454-W462 HydrophobicContact CB-CZ3 3.54Å; S455-W462 VanDerWaalsContact CB-CD1 3.47Å; Y458-W462 HydrophobicContact CD2-CE3 4.3Å; G459-W462 WeakPolarHBondContact O-CB 3.46Å; G459-W462 PolarHBondContact O-N 3.34Å; K460-W462 VanDerWaalsContact C-N 3.28Å; K460-W462 PolarHBondContact O-N 2.89Å; W462-R464 VanDerWaalsContact C-N 3.34Å; W462-R464 PolarHBondContact O-N 3.21Å; W462-Y465 HydrophobicContact CD2-CD1 4.39Å; W462-Y465 AromaticContact CE3-CD1 3.65Å; W462-Y465 HydrophobicContact CE3-CD1 3.65Å; W462-Y465 HydrophobicContact CE3-CE1 4.41Å; W462-Y465 HydrophobicContact CE3-CG 4.32Å; W462-Y465 AromaticContact CH2-CD1 3.68Å; W462-Y465 HydrophobicContact CH2-CD1 3.68Å; W462-Y465 AromaticContact CH2-CE1 3.73Å; W462-Y465 HydrophobicContact CH2-CE1 3.73Å; W462-Y465 HydrophobicContact CZ2-CD1 4.37Å; W462-Y465 AromaticContact CZ3-CD1 3.25Å; W462-Y465 HydrophobicContact CZ3-CD1 3.25Å; W462-Y465 AromaticContact CZ3-CE1 3.57Å; W462-Y465 HydrophobicContact CZ3-CE1 3.57Å; W462-Y465 HydrophobicContact CZ3-CG 4.23Å; W462-Y465 CarbonylContact O-C 3.47Å; W462-Y465 WeakPolarHBondContact O-CA 3.26Å; W462-Y465 WeakPolarHBondContact O-CB 3.34Å; W462-Y465 PolarHBondContact O-N 3.02Å; W462-Y465 VanDerWaalsContact O-N 3.08Å; W462-T466 HydrophobicContact CD2-CG2 4.34Å; W462-T466 HydrophobicContact CG-CG2 4.49Å; W462-T466 HydrophobicContact CZ2-CG2 4.17Å; W462-T466 PolarHBondContact O-N 3.42Å; W462-T466 PolarHBondContact O-OG1 3.4Å
463	R	96.4	Very high	94	Very high	170 Å²	170	66.7 Å²	66.7	64%	0.642	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-46	176.4	-66.8	-174.9	-173.3	-176.1	0.9	111.3	G459 K460 Y465 T466 D467	G459-R463 PolarHBondContact O-N 3.25Å; K460-R463 WeakPolarHBondContact O-CB 3.12Å; K460-R463 PolarHBondContact O-N 2.86Å; R463-Y465 PolarHBondContact O-N 2.83Å; R463-T466 WeakPolarHBondContact CA-OG1 3.34Å; R463-T466 PolarHBondContact O-N 3.5Å; R463-T466 VanDerWaalsContact O-N 3.12Å; R463-T466 PolarHBondContact O-OG1 3.33Å; R463-D467 PolarHBondContact O-N 3Å
464	R	96.9	Very high	94.4	Very high	153 Å²	153	66.5 Å²	66.5	58%	0.577	33%	0.33	S	S	*	.	H	α-helix	trans	-57.5	-38.5	174.2	-170.9	-176	175.7	179.4	0.6	111.9	I381 K460 D461 W462 T468	I381-R464 HydrophobicContact CD1-CB 4.2Å; I381-R464 HydrophobicContact CD1-CG 3.83Å; K460-R464 PolarHBondContact O-N 3.37Å; K460-R464 VanDerWaalsContact O-N 3.07Å; D461-R464 PolarHBondContact O-N 3.41Å; W462-R464 VanDerWaalsContact C-N 3.34Å; W462-R464 PolarHBondContact O-N 3.21Å; R464-T468 WeakPolarHBondContact O-CB 3.41Å; R464-T468 PolarHBondContact O-N 2.82Å; R464-T468 VanDerWaalsContact O-N 3.08Å; R464-T468 PolarHBondContact O-OG1 3.06Å
465	Y	97.4	Very high	94.7	Very high	8 Å²	8	68.2 Å²	68.2	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-45.9	175.4	-179.3	-108.1	0	0	0	112.4	I381 L397 L398 T399 W403 R407 D461 W462 R463 D467 T468 V469	I381-Y465 VanDerWaalsContact CD1-CA 3.5Å; I381-Y465 HydrophobicContact CD1-CD2 4.27Å; L397-Y465 HydrophobicContact CB-CD2 3.84Å; L397-Y465 HydrophobicContact CB-CE2 4.17Å; L397-Y465 HydrophobicContact CB-CG 4.28Å; L397-Y465 HydrophobicContact CD1-CD1 4.39Å; L397-Y465 HydrophobicContact CD1-CD2 4.34Å; L397-Y465 HydrophobicContact CD1-CG 3.94Å; L398-Y465 VanDerWaalsContact O-CE2 3.27Å; L398-Y465 WeakPolarHBondContact O-CE2 3.33Å; L398-Y465 PolarHBondContact O-OH 3.35Å; T399-Y465 HydrophobicContact CG2-CD2 3.57Å; T399-Y465 HydrophobicContact CG2-CE2 3.69Å; W403-Y465 PolarHBondContact O-OH 3.18Å; R407-Y465 HydrophobicContact CB-CE1 4.22Å; R407-Y465 HydrophobicContact CG-CD1 4.35Å; R407-Y465 HydrophobicContact CG-CE1 3.62Å; D461-Y465 PolarHBondContact O-N 2.88Å; W462-Y465 HydrophobicContact CD2-CD1 4.39Å; W462-Y465 AromaticContact CE3-CD1 3.65Å; W462-Y465 HydrophobicContact CE3-CD1 3.65Å; W462-Y465 HydrophobicContact CE3-CE1 4.41Å; W462-Y465 HydrophobicContact CE3-CG 4.32Å; W462-Y465 AromaticContact CH2-CD1 3.68Å; W462-Y465 HydrophobicContact CH2-CD1 3.68Å; W462-Y465 AromaticContact CH2-CE1 3.73Å; W462-Y465 HydrophobicContact CH2-CE1 3.73Å; W462-Y465 HydrophobicContact CZ2-CD1 4.37Å; W462-Y465 AromaticContact CZ3-CD1 3.25Å; W462-Y465 HydrophobicContact CZ3-CD1 3.25Å; W462-Y465 AromaticContact CZ3-CE1 3.57Å; W462-Y465 HydrophobicContact CZ3-CE1 3.57Å; W462-Y465 HydrophobicContact CZ3-CG 4.23Å; W462-Y465 CarbonylContact O-C 3.47Å; W462-Y465 WeakPolarHBondContact O-CA 3.26Å; W462-Y465 WeakPolarHBondContact O-CB 3.34Å; W462-Y465 PolarHBondContact O-N 3.02Å; W462-Y465 VanDerWaalsContact O-N 3.08Å; R463-Y465 PolarHBondContact O-N 2.83Å; Y465-D467 VanDerWaalsContact C-N 3.3Å; Y465-D467 PolarHBondContact O-N 3.12Å; Y465-T468 PolarHBondContact O-N 3.13Å; Y465-V469 HydrophobicContact CE2-CG2 4.18Å; Y465-V469 PolarHBondContact O-N 2.7Å
466	T	97	Very high	94.7	Very high	32 Å²	32	68.6 Å²	68.6	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-66.8	-30.7	177.1	55.8	0	0	0	0	112.8	W462 R463 T468 V469 P470	W462-T466 HydrophobicContact CD2-CG2 4.34Å; W462-T466 HydrophobicContact CG-CG2 4.49Å; W462-T466 HydrophobicContact CZ2-CG2 4.17Å; W462-T466 PolarHBondContact O-N 3.42Å; W462-T466 PolarHBondContact O-OG1 3.4Å; R463-T466 WeakPolarHBondContact CA-OG1 3.34Å; R463-T466 PolarHBondContact O-N 3.5Å; R463-T466 VanDerWaalsContact O-N 3.12Å; R463-T466 PolarHBondContact O-OG1 3.33Å; T466-T468 VanDerWaalsContact C-N 3.35Å; T466-V469 CarbonylContact O-C 3.58Å; T466-P470 WeakPolarHBondContact O-CA 3.41Å
467	D	97	Very high	94.9	Very high	127 Å²	127	71.9 Å²	71.9	68%	0.679	36%	0.363	S	S	*	.	H	α-helix	trans	-70.6	-34.4	173.8	-62.4	-21	0	0	0	111.4	R463 Y465	R463-D467 PolarHBondContact O-N 3Å; Y465-D467 VanDerWaalsContact C-N 3.3Å; Y465-D467 PolarHBondContact O-N 3.12Å
468	T	97.2	Very high	95	Very high	75 Å²	75	71.8 Å²	71.8	46%	0.46	36%	0.363	S	S	.	.	H	α-helix	trans	-75.9	-39.5	178.8	-55	0	0	0	0	111.9	T399 R464 Y465 T466	T399-T468 HydrophobicContact CG2-CG2 3.94Å; R464-T468 WeakPolarHBondContact O-CB 3.41Å; R464-T468 PolarHBondContact O-N 2.82Å; R464-T468 VanDerWaalsContact O-N 3.08Å; R464-T468 PolarHBondContact O-OG1 3.06Å; Y465-T468 PolarHBondContact O-N 3.13Å; T466-T468 VanDerWaalsContact C-N 3.35Å
469	V	97.6	Very high	95.2	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.006	38%	0.377	C	S	.	.	S	Bend	trans	-124.6	85	-179.1	-173.7	0	0	0	0	107.4	T399 W403 R407 Y465 T466 Y471	T399-V469 HydrophobicContact CG2-CG2 4.35Å; W403-V469 WeakPolarHBondContact O-CG1 3.36Å; R407-V469 WeakPolarHBondContact CD-O 3.23Å; R407-V469 HydrophobicContact CG-CB 4.04Å; R407-V469 HydrophobicContact CG-CG1 3.81Å; R407-V469 WeakPolarHBondContact CG-O 3.2Å; R407-V469 PolarHBondContact NH1-O 3.09Å; Y465-V469 HydrophobicContact CE2-CG2 4.18Å; Y465-V469 PolarHBondContact O-N 2.7Å; T466-V469 CarbonylContact O-C 3.58Å; V469-Y471 PolarHBondContact O-N 3.3Å
470	P	96.6	Very high	95.4	Very high	70 Å²	70	76.6 Å²	76.6	46%	0.455	38%	0.379	S	S	.	.			trans	-73.9	-25.3	-167.2	27.1	-35.1	0	0	0	114.8	R407 T466	R407-P470 PolarHBondContact NH1-O 2.99Å; R407-P470 PolarHBondContact NH2-O 3.37Å; T466-P470 WeakPolarHBondContact O-CA 3.41Å
471	Y	97.7	Very high	95.5	Very high	90 Å²	90	70.8 Å²	70.8	35%	0.353	36%	0.356	S	S	.	.			trans	-88.5	141.8	-175.6	-49	-66	0	0	0	112.3	A406 R407 V469 P475 G476	A406-Y471 WeakPolarHBondContact CA-O 3.33Å; R407-Y471 PolarHBondContact N-O 2.82Å; V469-Y471 PolarHBondContact O-N 3.3Å; Y471-P475 HydrophobicContact CD2-CB 3.91Å; Y471-P475 HydrophobicContact CE2-CB 4.26Å; Y471-P475 HydrophobicContact CG-CB 4.33Å; Y471-G476 VanDerWaalsContact CE1-CA 3.48Å
472	R	95.9	Very high	95.5	Very high	74 Å²	74	72.6 Å²	72.6	28%	0.279	37%	0.365	S	S	.	.	S	Bend	trans	-80.8	-57.4	176	-69.1	-178.5	169.5	123	0.6	111.7	H408 E451 F478	H408-R472 WeakPolarHBondContact CA-O 3.5Å; H408-R472 WeakPolarHBondContact CB-O 3.08Å; H408-R472 PolarHBondContact N-O 3.2Å; E451-R472 WeakPolarHBondContact OE1-CG 3.41Å; E451-R472 IonicContact OE1-NE 3.5Å; E451-R472 PolarHBondContact OE1-NE 2.9Å; E451-R472 IonicContact OE2-CZ 3.31Å; E451-R472 VanDerWaalsContact OE2-CZ 3.31Å; E451-R472 IonicContact OE2-NE 3.27Å; E451-R472 PolarHBondContact OE2-NE 3.45Å; E451-R472 IonicContact OE2-NH2 2.77Å; E451-R472 PolarHBondContact OE2-NH2 3.34Å; R472-F478 HydrophobicContact CB-CD1 3.83Å; R472-F478 HydrophobicContact CB-CE1 3.91Å; R472-F478 HydrophobicContact CB-CG 4.45Å; R472-F478 WeakPolarHBondContact CB-OXT 3.41Å; R472-F478 VanDerWaalsContact CD-CE1 3.49Å; R472-F478 HydrophobicContact CG-CD1 4.5Å; R472-F478 HydrophobicContact CG-CE1 4.3Å; R472-F478 VanDerWaalsContact N-C 3.27Å; R472-F478 PolarHBondContact N-O 3.09Å; R472-F478 PolarHBondContact N-OXT 3.31Å
473	L	94.7	Very high	95.5	Very high	6 Å²	6	76.1 Å²	76.1	3%	0.031	38%	0.384	C	S	.	.	S	Bend	trans	-122.5	-61.3	-170.5	-65.4	177.6	0	0	0	110.8	H408 Y411 T412 V444 F478	H408-L473 HydrophobicContact CB-CD2 3.83Å; Y411-L473 VanDerWaalsContact CB-CD2 3.47Å; Y411-L473 HydrophobicContact CD2-CD2 3.99Å; Y411-L473 HydrophobicContact CG-CD2 4.24Å; T412-L473 VanDerWaalsContact OG1-C 3.28Å; T412-L473 PolarHBondContact OG1-O 2.99Å; V444-L473 HydrophobicContact CG2-CD1 3.96Å; L473-F478 HydrophobicContact CB-CD1 4.26Å; L473-F478 HydrophobicContact CD1-CD1 3.92Å; L473-F478 HydrophobicContact CD1-CE1 4.11Å; L473-F478 HydrophobicContact CG-CD1 4.07Å; L473-F478 HydrophobicContact CG-CE1 4.4Å; L473-F478 PolarHBondContact N-O 2.88Å
474	I	94.6	Very high	95.4	Very high	78 Å²	78	69.9 Å²	69.9	40%	0.4	37%	0.367	S	S	.	.	S	Bend	trans	-114.3	113	-171.4	-55.2	172.7	0	0	0	108.2	T412 G476 L477 F478	T412-I474 HydrophobicContact CG2-CG1 4.45Å; I474-G476 PolarHBondContact O-N 2.89Å; I474-L477 HydrophobicContact CB-CB 4.22Å; I474-L477 HydrophobicContact CB-CD1 4.42Å; I474-L477 HydrophobicContact CG2-CB 4.26Å; I474-L477 HydrophobicContact CG2-CD1 3.83Å; I474-L477 HydrophobicContact CG2-CG 4.21Å; I474-L477 PolarHBondContact O-N 3.19Å; I474-F478 PolarHBondContact N-O 3.27Å; I474-F478 PolarHBondContact O-N 3.29Å; I474-F478 VanDerWaalsContact O-N 3.08Å
475	P	94.4	Very high	95.3	Very high	56 Å²	56	63.9 Å²	63.9	36%	0.364	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	129.5	178	-26.9	34.8	0	0	0	112.3	V405 F409 Y471 L477	V405-P475 HydrophobicContact CG1-CG 3.44Å; V405-P475 VanDerWaalsContact CG1-CG 3.44Å; F409-P475 HydrophobicContact CE2-CG 4.33Å; Y471-P475 HydrophobicContact CD2-CB 3.91Å; Y471-P475 HydrophobicContact CE2-CB 4.26Å; Y471-P475 HydrophobicContact CG-CB 4.33Å; P475-L477 VanDerWaalsContact C-N 3.31Å; P475-L477 PolarHBondContact O-N 2.81Å
476	G	92.8	Very high	95.2	Very high	55 Å²	55	68.2 Å²	68.2	57%	0.567	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-6.9	-178.9	0	0	0	0	0	115.6	Y471 I474	Y471-G476 VanDerWaalsContact CE1-CA 3.48Å; I474-G476 PolarHBondContact O-N 2.89Å
477	L	92.6	Very high	95	Very high	144 Å²	144	71.3 Å²	71.3	75%	0.754	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-52.5	179.5	-63.9	-179.4	0	0	0	113.3	I474 P475	I474-L477 HydrophobicContact CB-CB 4.22Å; I474-L477 HydrophobicContact CB-CD1 4.42Å; I474-L477 HydrophobicContact CG2-CB 4.26Å; I474-L477 HydrophobicContact CG2-CD1 3.83Å; I474-L477 HydrophobicContact CG2-CG 4.21Å; I474-L477 PolarHBondContact O-N 3.19Å; P475-L477 VanDerWaalsContact C-N 3.31Å; P475-L477 PolarHBondContact O-N 2.81Å
478	F	89.3	Confident	94.8	Very high	79 Å²	79	66.2 Å²	66.2	35%	0.346	37%	0.365	S	S	.	.			trans	-148.2	0	-173.6	-175.6	-116.1	0	0	0	113.1	V444 R472 L473 I474	V444-F478 HydrophobicContact CG1-CE1 4.35Å; V444-F478 HydrophobicContact CG1-CZ 4.31Å; V444-F478 HydrophobicContact CG2-CE1 4.36Å; R472-F478 HydrophobicContact CB-CD1 3.83Å; R472-F478 HydrophobicContact CB-CE1 3.91Å; R472-F478 HydrophobicContact CB-CG 4.45Å; R472-F478 WeakPolarHBondContact CB-OXT 3.41Å; R472-F478 VanDerWaalsContact CD-CE1 3.49Å; R472-F478 HydrophobicContact CG-CD1 4.5Å; R472-F478 HydrophobicContact CG-CE1 4.3Å; R472-F478 VanDerWaalsContact N-C 3.27Å; R472-F478 PolarHBondContact N-O 3.09Å; R472-F478 PolarHBondContact N-OXT 3.31Å; L473-F478 HydrophobicContact CB-CD1 4.26Å; L473-F478 HydrophobicContact CD1-CD1 3.92Å; L473-F478 HydrophobicContact CD1-CE1 4.11Å; L473-F478 HydrophobicContact CG-CD1 4.07Å; L473-F478 HydrophobicContact CG-CE1 4.4Å; L473-F478 PolarHBondContact N-O 2.88Å; I474-F478 PolarHBondContact N-O 3.27Å; I474-F478 PolarHBondContact O-N 3.29Å; I474-F478 VanDerWaalsContact O-N 3.08Å

Retrieved 478 of 478 residues in 318.5 ms (Link to these results)

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