A0A087YR96_POEFO Loading...

Sulfotransferase

Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to catalyze the transfer of a sulfo group to position 3 of glucosamine residues in heparan. Catalyzes the rate limiting step in the biosynthesis of heparan sulfate (HSact). This modification is a crucial step in the biosynthesis of anticoagulant heparan sulfate as it completes the structure of the antithrombin pentasaccharide binding site.

AlphaFold DB , UniProt , Accession A0A087YR96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	37.2	Very low	240 Å²	240	143.5 Å²	143.5	100%	1.182	82%	0.821	S	S	*	*				0	97.5	0	-68.2	-162.4	-105.8	0	0	106.6
2	A	37.4	Very low	37.4	Very low	105 Å²	105	139 Å²	139	87%	0.868	81%	0.814	S	S	*	*				62.3	121.4	104.1	0	0	0	0	0	111.3
3	A	37.6	Very low	37.2	Very low	86 Å²	86	142.5 Å²	142.5	71%	0.711	82%	0.821	S	S	*	*			cis	-166.2	151.5	38.7	0	0	0	0	0	113.2
4	L	37.1	Very low	37	Very low	150 Å²	150	145.6 Å²	145.6	79%	0.785	83%	0.825	S	S	*	*			trans	25.8	121.8	146	-69.9	101.8	0	0	0	120.7
5	L	37.8	Very low	37	Very low	153 Å²	153	143.7 Å²	143.7	80%	0.801	82%	0.824	S	S	*	*				82.4	127.4	62.9	-85.3	166	0	0	0	115.9
6	L	35.8	Very low	37.3	Very low	140 Å²	140	141.9 Å²	141.9	73%	0.733	82%	0.82	S	S	*	*			trans	102.1	89.7	154	-74	127.1	0	0	0	119.2	L8	L6-L8 HydrophobicContact CD2-CD1 3.97Å
7	G	34.7	Very low	37.2	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	82%	0.819	S	S	*	*			trans	-117	111.2	148	0	0	0	0	0	109.1
8	L	39.8	Very low	37.3	Very low	138 Å²	138	142.5 Å²	142.5	72%	0.723	82%	0.823	S	S	*	*			trans	-128.4	105.7	178.9	-112.2	150.3	0	0	0	109.7	L6	L6-L8 HydrophobicContact CD2-CD1 3.97Å
9	L	37.7	Very low	37.1	Very low	133 Å²	133	141.5 Å²	141.5	70%	0.696	82%	0.822	S	S	*	*			trans	31.5	109.8	141.2	-73.2	129.2	0	0	0	119.3	F11	L9-F11 HydrophobicContact CD2-CD2 4.13Å; L9-F11 HydrophobicContact CD2-CE2 3.91Å; L9-F11 PolarHBondContact O-N 3.41Å
10	L	37.6	Very low	37	Very low	181 Å²	181	140.3 Å²	140.3	95%	0.948	82%	0.821	S	S	*	*			trans	-70.4	112.6	152.8	-84.7	142.1	0	0	0	109.6
11	F	37.8	Very low	37	Very low	172 Å²	172	145.2 Å²	145.2	75%	0.754	83%	0.826	S	S	*	*			trans	-116.1	119.6	162.4	-106.3	-82.6	0	0	0	109.5	L9	L9-F11 HydrophobicContact CD2-CD2 4.13Å; L9-F11 HydrophobicContact CD2-CE2 3.91Å; L9-F11 PolarHBondContact O-N 3.41Å
12	A	39.4	Very low	37.3	Very low	90 Å²	90	138.8 Å²	138.8	74%	0.744	80%	0.802	S	S	*	*			trans	-68.1	127.1	170.9	0	0	0	0	0	109.9
13	M	34	Very low	36.9	Very low	184 Å²	184	141.9 Å²	141.9	91%	0.906	80%	0.803	S	S	*	*			trans	-102.8	100.6	166.8	-66.3	-158.7	83.7	0	0	109.3
14	Q	35	Very low	36.7	Very low	187 Å²	187	142.1 Å²	142.1	87%	0.874	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-89.7	124.5	158.1	-73.2	177.2	-13.1	0	0	107.6
15	S	36.4	Very low	36.5	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.6	136.5	172.5	-51.4	0	0	0	0	110.3
16	P	42.8	Very low	36.1	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-79.2	154.1	-179.2	31	-33.1	0	0	0	112.5
17	P	35.8	Very low	35.7	Very low	125 Å²	125	135.9 Å²	135.9	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-79.8	134.3	176.4	31.7	-31.2	0	0	0	111.4
18	L	37.6	Very low	35.7	Very low	169 Å²	169	138.1 Å²	138.1	89%	0.885	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.9	131.4	173.2	-81.7	160.9	0	0	0	110.8
19	P	33.7	Very low	35.2	Very low	123 Å²	123	136.9 Å²	136.9	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.1	136.6	-179.1	31.6	-31	0	0	0	112.4
20	S	35.3	Very low	35	Very low	117 Å²	117	136 Å²	136	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-97.1	127.7	168.7	-35.2	0	0	0	0	109.6
21	R	37	Very low	35	Very low	245 Å²	245	133 Å²	133	93%	0.925	81%	0.812	S	S	*	*			trans	-140.7	160.4	164.9	-104.8	-151.2	166.5	167.3	-3.4	111
22	P	42	Very low	34.8	Very low	104 Å²	104	130.3 Å²	130.3	68%	0.675	81%	0.812	S	S	*	*			trans	-116.1	169.5	-133.8	41	-30.1	0	0	0	112.8
23	L	30.7	Very low	34.9	Very low	171 Å²	171	133.1 Å²	133.1	90%	0.895	82%	0.819	S	S	*	*			trans	-151.2	120.1	149.7	-100.8	123.7	0	0	0	110.2
24	A	33.1	Very low	34.8	Very low	91 Å²	91	129.2 Å²	129.2	75%	0.752	81%	0.81	S	S	*	*			trans	-90.9	137.2	153.8	0	0	0	0	0	106.8
25	D	31.8	Very low	34.9	Very low	163 Å²	163	125.6 Å²	125.6	87%	0.872	81%	0.806	S	S	*	*			trans	-151.4	141.4	144.8	-128.2	-14.2	0	0	0	110.9
26	G	30	Very low	35	Very low	76 Å²	76	126.3 Å²	126.3	78%	0.784	81%	0.807	S	S	*	*			trans	-81.8	154.2	-177	0	0	0	0	0	112.6
27	G	27.3	Very low	34.6	Very low	72 Å²	72	125 Å²	125	74%	0.742	81%	0.806	S	S	*	*			trans	-175.5	104.7	172.6	0	0	0	0	0	111.3
28	S	34.8	Very low	34.9	Very low	127 Å²	127	123.6 Å²	123.6	89%	0.888	81%	0.806	S	S	*	*			trans	-60.3	127.9	170	54.4	0	0	0	0	111.5
29	S	30.3	Very low	34.7	Very low	112 Å²	112	123 Å²	123	78%	0.783	80%	0.803	S	S	*	*			trans	-152.7	119.9	154.3	51.3	0	0	0	0	110.5
30	S	33.6	Very low	35	Very low	116 Å²	116	124.2 Å²	124.2	81%	0.811	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.3	136.7	171.7	-45.2	0	0	0	0	109.7
31	P	36.7	Very low	35.3	Very low	118 Å²	118	121.4 Å²	121.4	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-78	145.5	168.6	3.2	12.5	0	0	0	110.3
32	P	33.4	Very low	35.7	Very low	115 Å²	115	116 Å²	116	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.2	143.9	-179.1	29.8	-31.8	0	0	0	110.9	S34	P32-S34 PolarHBondContact O-N 2.95Å
33	T	42.4	Very low	36.4	Very low	148 Å²	148	114.1 Å²	114.1	91%	0.908	78%	0.78	S	S	*	*			trans	-54.4	103.3	161.9	34.3	0	0	0	0	110.4
34	S	31.5	Very low	38.2	Very low	102 Å²	102	111.9 Å²	111.9	71%	0.713	78%	0.779	S	S	*	*			trans	-110.6	111	158.3	53.1	0	0	0	0	108.5	P32	P32-S34 PolarHBondContact O-N 2.95Å
35	S	36.7	Very low	40.4	Very low	112 Å²	112	111 Å²	111	78%	0.783	76%	0.759	S	S	*	*			trans	-55.3	128.7	165.3	-51.8	0	0	0	0	108.6	A37	S35-A37 PolarHBondContact O-N 2.98Å
36	P	38.6	Very low	42.9	Very low	130 Å²	130	107.3 Å²	107.3	84%	0.844	74%	0.743	S	S	*	*			trans	-72.1	109.2	170.2	27.4	-27.8	0	0	0	107.6
37	A	35	Very low	45.6	Very low	88 Å²	88	111.4 Å²	111.4	73%	0.727	75%	0.748	S	S	*	*			trans	-52.2	141.6	159.5	0	0	0	0	0	108.8	S35 D39	S35-A37 PolarHBondContact O-N 2.98Å; A37-D39 PolarHBondContact O-N 2.74Å
38	A	41.4	Very low	48.6	Very low	97 Å²	97	110.6 Å²	110.6	80%	0.802	74%	0.739	S	S	*	*			trans	-57.9	98.8	176.7	0	0	0	0	0	109.9	N40	A38-N40 VanDerWaalsContact C-N 3.29Å; A38-N40 PolarHBondContact O-N 2.99Å
39	D	34	Very low	51.4	Low	155 Å²	155	105.6 Å²	105.6	83%	0.829	70%	0.703	S	S	*	*			trans	-74.5	89	169.1	-167.1	14.2	0	0	0	107.5	A37 G41	A37-D39 PolarHBondContact O-N 2.74Å; D39-G41 PolarHBondContact O-N 3.2Å
40	N	40.2	Very low	54.6	Low	150 Å²	150	104.2 Å²	104.2	80%	0.802	69%	0.686	S	S	*	*			trans	-76.6	57	173.8	-124.6	13.3	0	0	0	109	A38 T42	A38-N40 VanDerWaalsContact C-N 3.29Å; A38-N40 PolarHBondContact O-N 2.99Å; N40-T42 VanDerWaalsContact C-N 3.34Å; N40-T42 PolarHBondContact O-N 3.33Å
41	G	40.7	Very low	57.6	Low	57 Å²	57	101.1 Å²	101.1	59%	0.588	66%	0.659	S	S	*	*			trans	-66.3	93.3	172.3	0	0	0	0	0	109	D39 A43	D39-G41 PolarHBondContact O-N 3.2Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.07Å
42	T	46.7	Very low	60.4	Low	133 Å²	133	97 Å²	97	82%	0.816	63%	0.63	S	S	*	*			trans	-64.1	94.3	167	39.7	0	0	0	0	107.3	N40 S44	N40-T42 VanDerWaalsContact C-N 3.34Å; N40-T42 PolarHBondContact O-N 3.33Å; T42-S44 PolarHBondContact O-N 3.43Å
43	A	56.1	Low	63.5	Low	64 Å²	64	94.3 Å²	94.3	53%	0.529	61%	0.609	S	S	.	*			trans	-53.5	114.3	166.7	0	0	0	0	0	107.1	G41 H45	G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.07Å; A43-H45 VanDerWaalsContact CB-NE2 3.26Å; A43-H45 WeakPolarHBondContact CB-NE2 3.36Å; A43-H45 PolarHBondContact O-CD2 3.12Å; A43-H45 PolarHBondContact O-N 3.12Å; A43-H45 PolarHBondContact O-NE2 3.32Å
44	S	68	Low	66.2	Low	124 Å²	124	87.4 Å²	87.4	87%	0.867	57%	0.566	S	S	*	*			trans	-62.8	101.2	177.6	166.5	0	0	0	0	108	T42	T42-S44 PolarHBondContact O-N 3.43Å
45	H	79.9	Confident	69.4	Low	73 Å²	73	85.1 Å²	85.1	34%	0.338	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-100.8	148.3	172.7	-61.7	-61.3	0	0	0	109	A43 N47 Y108	A43-H45 VanDerWaalsContact CB-NE2 3.26Å; A43-H45 WeakPolarHBondContact CB-NE2 3.36Å; A43-H45 PolarHBondContact O-CD2 3.12Å; A43-H45 PolarHBondContact O-N 3.12Å; A43-H45 PolarHBondContact O-NE2 3.32Å; H45-N47 PolarHBondContact O-N 3.02Å; H45-Y108 HydrophobicContact CB-CD1 3.88Å; H45-Y108 HydrophobicContact CB-CD2 4.31Å; H45-Y108 HydrophobicContact CB-CE1 4.18Å; H45-Y108 HydrophobicContact CB-CG 3.94Å; H45-Y108 AromaticContact CD2-CD2 3.56Å; H45-Y108 AromaticContact CD2-CE1 3.69Å; H45-Y108 AromaticContact CD2-CE2 3.13Å; H45-Y108 WeakPolarHBondContact CD2-CE2 3.38Å; H45-Y108 AromaticContact CD2-CZ 3.18Å; H45-Y108 AromaticContact CE1-CD2 3.43Å; H45-Y108 VanDerWaalsContact CE1-CD2 3.43Å; H45-Y108 WeakPolarHBondContact CE1-CD2 3.25Å; H45-Y108 AromaticContact CE1-CE2 3.44Å; H45-Y108 VanDerWaalsContact CE1-CE2 3.44Å; H45-Y108 WeakPolarHBondContact CE1-CE2 3.1Å; H45-Y108 AromaticContact CG-CD1 3.88Å; H45-Y108 AromaticContact CG-CD2 3.5Å; H45-Y108 VanDerWaalsContact CG-CD2 3.5Å; H45-Y108 AromaticContact CG-CE1 3.97Å; H45-Y108 AromaticContact CG-CE2 3.62Å; H45-Y108 AromaticContact CG-CG 3.63Å; H45-Y108 AromaticContact CG-CZ 3.83Å; H45-Y108 AromaticContact ND1-CD2 3.42Å; H45-Y108 WeakPolarHBondContact ND1-CD2 3.4Å; H45-Y108 AromaticContact ND1-CE2 3.79Å; H45-Y108 AromaticContact ND1-CG 3.84Å; H45-Y108 AromaticContact NE2-CD2 3.51Å; H45-Y108 AromaticContact NE2-CE2 3Å; H45-Y108 WeakPolarHBondContact NE2-CE2 3.42Å; H45-Y108 AromaticContact NE2-CZ 3.53Å
46	P	83.4	Confident	72.4	Confident	84 Å²	84	79.9 Å²	79.9	55%	0.545	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-57.3	135.3	-179.8	-21.4	31.9	0	0	0	111.3	G48 T49	P46-G48 PolarHBondContact O-N 3.27Å; P46-T49 HydrophobicContact CB-CG2 3.96Å; P46-T49 HydrophobicContact CG-CG2 4.36Å; P46-T49 WeakPolarHBondContact O-CB 3.33Å; P46-T49 PolarHBondContact O-N 3.18Å; P46-T49 VanDerWaalsContact O-N 3.17Å; P46-T49 PolarHBondContact O-OG1 3.29Å
47	N	86.5	Confident	75.2	Confident	163 Å²	163	73.7 Å²	73.7	87%	0.872	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	136.3	175.2	-83.8	-8.2	0	0	0	110.7	H45	H45-N47 PolarHBondContact O-N 3.02Å
48	G	90	Very high	78.3	Confident	54 Å²	54	69.5 Å²	69.5	56%	0.557	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	1.8	-178.3	0	0	0	0	0	115	P46	P46-G48 PolarHBondContact O-N 3.27Å
49	T	95.4	Very high	81	Confident	23 Å²	23	64.9 Å²	64.9	14%	0.141	40%	0.395	C	S	.	.			trans	-96.3	150.1	172.5	64.9	0	0	0	0	111.9	P46 A109 F110	P46-T49 HydrophobicContact CB-CG2 3.96Å; P46-T49 HydrophobicContact CG-CG2 4.36Å; P46-T49 WeakPolarHBondContact O-CB 3.33Å; P46-T49 PolarHBondContact O-N 3.18Å; P46-T49 VanDerWaalsContact O-N 3.17Å; P46-T49 PolarHBondContact O-OG1 3.29Å; T49-A109 WeakPolarHBondContact CA-O 3.3Å; T49-F110 HydrophobicContact CG2-CD1 3.81Å; T49-F110 HydrophobicContact CG2-CD2 4.07Å; T49-F110 HydrophobicContact CG2-CE1 3.62Å; T49-F110 HydrophobicContact CG2-CE2 3.89Å; T49-F110 HydrophobicContact CG2-CG 4.04Å; T49-F110 HydrophobicContact CG2-CZ 3.66Å
50	L	95.9	Very high	84.1	Confident	82 Å²	82	57.5 Å²	57.5	43%	0.429	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157	173.3	57.7	140.2	0	0	0	110.7	Q52 A109 P111	L50-Q52 HydrophobicContact CD1-CG 3.7Å; L50-Q52 HydrophobicContact CG-CG 4.01Å; L50-A109 PolarHBondContact N-O 3.31Å; L50-A109 PolarHBondContact O-N 2.95Å; L50-A109 VanDerWaalsContact O-O 3.13Å; L50-P111 HydrophobicContact CD2-CG 4.06Å
51	Q	96.9	Very high	86.9	Confident	52 Å²	52	50.4 Å²	50.4	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.9	167.5	-64.6	-178.3	-63.3	0	0	109.1	L103 S104 M106 Y108	Q51-L103 HydrophobicContact CB-CD1 3.98Å; Q51-L103 HydrophobicContact CB-CG 4.19Å; Q51-L103 PolarHBondContact NE2-O 3.11Å; Q51-S104 VanDerWaalsContact NE2-C 3.32Å; Q51-S104 PolarHBondContact NE2-O 3.21Å; Q51-M106 PolarHBondContact NE2-O 2.88Å; Q51-Y108 HydrophobicContact CG-CD1 4.3Å; Q51-Y108 HydrophobicContact CG-CD2 3.83Å; Q51-Y108 HydrophobicContact CG-CE1 4.17Å; Q51-Y108 HydrophobicContact CG-CE2 3.67Å; Q51-Y108 HydrophobicContact CG-CG 4.14Å
52	Q	96.5	Very high	89.7	Confident	31 Å²	31	51.7 Å²	51.7	15%	0.145	30%	0.304	C	S	.	.			trans	-128.8	145	177.8	-61.1	-177.5	48.2	0	0	109.6	L50 L103 M106 F110	L50-Q52 HydrophobicContact CD1-CG 3.7Å; L50-Q52 HydrophobicContact CG-CG 4.01Å; Q52-L103 VanDerWaalsContact C-CD1 3.44Å; Q52-M106 WeakPolarHBondContact O-CB 3.47Å; Q52-M106 VanDerWaalsContact O-CG 3.23Å; Q52-M106 WeakPolarHBondContact O-CG 3.42Å; Q52-F110 PolarHBondContact NE2-O 2.95Å; Q52-F110 VanDerWaalsContact NE2-O 3.1Å
53	L	98.4	Very high	92.1	Very high	58 Å²	58	47.4 Å²	47.4	30%	0.304	27%	0.274	S	S	.	.			trans	-61	146.4	169.8	-71.8	179.5	0	0	0	109.7	Q55 Y102 L103 M135	L53-Q55 PolarHBondContact O-N 3.43Å; L53-Q55 PolarHBondContact O-NE2 2.8Å; L53-Q55 PolarHBondContact O-OE1 3.35Å; L53-Y102 HydrophobicContact CD2-CD1 3.73Å; L53-Y102 HydrophobicContact CD2-CE1 4.34Å; L53-L103 HydrophobicContact CD2-CB 4.07Å; L53-L103 HydrophobicContact CD2-CD1 4.21Å; L53-L103 HydrophobicContact CG-CD1 4.22Å; L53-M135 HydrophobicContact CD1-CG 4.33Å; L53-M135 HydrophobicContact CD1-SD 4.23Å; L53-M135 HydrophobicContact CD2-SD 4.44Å
54	P	98.4	Very high	94.1	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.019	25%	0.249	C	C	.	.			trans	-67.3	132.1	-174.7	25.8	-31.2	0	0	0	111	I56 I57 Y102 M106 T115 E117 I139	P54-I56 VanDerWaalsContact C-N 3.31Å; P54-I57 HydrophobicContact CB-CG1 4.37Å; P54-I57 HydrophobicContact CG-CD1 4.41Å; P54-I57 HydrophobicContact CG-CG1 4.22Å; P54-Y102 HydrophobicContact CG-CE1 3.83Å; P54-Y102 WeakPolarHBondContact CG-OH 3.32Å; P54-M106 HydrophobicContact CB-SD 4.26Å; P54-M106 HydrophobicContact CG-SD 4.09Å; P54-T115 WeakPolarHBondContact CA-O 3.13Å; P54-T115 HydrophobicContact CB-CG2 4.3Å; P54-E117 HydrophobicContact CB-CG 4.47Å; P54-E117 HydrophobicContact CG-CG 4.27Å; P54-I139 WeakPolarHBondContact O-CD1 3.45Å
55	Q	98.7	Very high	95.6	Very high	55 Å²	55	39.8 Å²	39.8	26%	0.257	22%	0.222	S	C	.	.	S	Bend	trans	-83.5	-16.5	168.3	-60.3	81.4	6.7	0	0	111.2	L53 L114 T115 I139 K140	L53-Q55 PolarHBondContact O-N 3.43Å; L53-Q55 PolarHBondContact O-NE2 2.8Å; L53-Q55 PolarHBondContact O-OE1 3.35Å; Q55-L114 HydrophobicContact CB-CD2 4.11Å; Q55-L114 HydrophobicContact CG-CD2 4.14Å; Q55-T115 PolarHBondContact N-O 3.38Å; Q55-T115 VanDerWaalsContact N-O 3.08Å; Q55-I139 VanDerWaalsContact O-CG1 3.31Å; Q55-I139 WeakPolarHBondContact O-CG1 3.41Å; Q55-K140 PolarHBondContact O-N 2.79Å; Q55-K140 VanDerWaalsContact O-N 3.13Å
56	I	98.8	Very high	96.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.1	-178.2	-51.6	163.7	0	0	0	109.8	P54 L114 T115 V116 E117 K140 L142 L234	P54-I56 VanDerWaalsContact C-N 3.31Å; I56-L114 HydrophobicContact CD1-CB 3.95Å; I56-L114 HydrophobicContact CD1-CD1 3.89Å; I56-T115 PolarHBondContact N-O 3.2Å; I56-V116 HydrophobicContact CB-CB 3.96Å; I56-V116 HydrophobicContact CB-CG2 3.84Å; I56-V116 HydrophobicContact CG2-CB 4.32Å; I56-V116 HydrophobicContact CG2-CG2 3.7Å; I56-V116 WeakPolarHBondContact O-CA 3.46Å; I56-E117 PolarHBondContact O-N 2.68Å; I56-K140 WeakPolarHBondContact CA-O 3.42Å; I56-L142 HydrophobicContact CG2-CD1 3.87Å; I56-L142 HydrophobicContact CG2-CG 3.97Å; I56-L234 HydrophobicContact CD1-CD1 3.59Å; I56-L234 HydrophobicContact CD1-CD2 3.76Å; I56-L234 HydrophobicContact CD1-CG 4.23Å; I56-L234 HydrophobicContact CG1-CD1 4.46Å; I56-L234 HydrophobicContact CG1-CD2 3.75Å; I56-L234 HydrophobicContact CG2-CD2 4.19Å
57	I	98.9	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.7	170.7	-57	179.2	0	0	0	110	P54 I59 F89 E117 Y122 I132 M135 I139 K140 L141 L142	P54-I57 HydrophobicContact CB-CG1 4.37Å; P54-I57 HydrophobicContact CG-CD1 4.41Å; P54-I57 HydrophobicContact CG-CG1 4.22Å; I57-I59 HydrophobicContact CB-CG2 4.14Å; I57-I59 HydrophobicContact CG2-CG2 3.59Å; I57-I59 PolarHBondContact O-N 3.34Å; I57-F89 HydrophobicContact CD1-CE2 4Å; I57-E117 HydrophobicContact CG1-CG 4.07Å; I57-E117 HydrophobicContact CG2-CG 4.11Å; I57-Y122 HydrophobicContact CG2-CD2 3.81Å; I57-Y122 HydrophobicContact CG2-CE2 3.89Å; I57-I132 HydrophobicContact CD1-CD1 4.07Å; I57-I132 HydrophobicContact CD1-CG1 4.39Å; I57-I132 HydrophobicContact CD1-CG2 4.06Å; I57-M135 HydrophobicContact CD1-CE 4.36Å; I57-I139 HydrophobicContact CD1-CD1 3.48Å; I57-I139 VanDerWaalsContact CD1-CD1 3.48Å; I57-I139 HydrophobicContact CG1-CD1 3.64Å; I57-K140 PolarHBondContact N-O 3.48Å; I57-L141 HydrophobicContact CB-CD2 4.06Å; I57-L141 WeakPolarHBondContact O-CA 3.38Å; I57-L142 PolarHBondContact O-N 3.38Å
58	I	98.9	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	98	166.8	-59.7	160.5	0	0	0	108.1	G60 T66 L69 I70 V116 E117 K118 T119 L142	I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.27Å; I58-T66 HydrophobicContact CG2-CG2 3.99Å; I58-L69 HydrophobicContact CD1-CB 4.5Å; I58-L69 HydrophobicContact CD1-CD2 4.16Å; I58-L69 HydrophobicContact CD1-CG 3.99Å; I58-L69 HydrophobicContact CG1-CD2 4.1Å; I58-L69 HydrophobicContact CG1-CG 4.45Å; I58-L69 HydrophobicContact CG2-CD2 3.99Å; I58-I70 HydrophobicContact CD1-CB 3.58Å; I58-I70 HydrophobicContact CD1-CD1 4.43Å; I58-I70 HydrophobicContact CD1-CG1 3.98Å; I58-V116 HydrophobicContact CD1-CG2 4.07Å; I58-V116 HydrophobicContact CG1-CG2 4.19Å; I58-E117 PolarHBondContact N-O 2.99Å; I58-K118 HydrophobicContact CB-CB 3.87Å; I58-K118 HydrophobicContact CB-CG 3.81Å; I58-K118 HydrophobicContact CD1-CB 4.22Å; I58-K118 HydrophobicContact CD1-CG 4.41Å; I58-K118 HydrophobicContact CG2-CB 4.43Å; I58-K118 HydrophobicContact CG2-CG 3.81Å; I58-K118 WeakPolarHBondContact O-CA 3.23Å; I58-T119 PolarHBondContact O-N 3.43Å; I58-L142 CarbonylContact C-O 3.44Å; I58-L142 WeakPolarHBondContact CA-O 3.47Å; I58-L142 HydrophobicContact CB-CB 4.46Å; I58-L142 HydrophobicContact CG1-CB 3.86Å; I58-L142 HydrophobicContact CG1-CD1 3.92Å; I58-L142 HydrophobicContact CG1-CG 4.41Å
59	I	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-14.4	-168.2	57.2	170.1	0	0	0	113.5	I57 P120 Y122 F123 L141 L142 L143 W202	I57-I59 HydrophobicContact CB-CG2 4.14Å; I57-I59 HydrophobicContact CG2-CG2 3.59Å; I57-I59 PolarHBondContact O-N 3.34Å; I59-P120 CarbonylContact O-C 3.5Å; I59-Y122 HydrophobicContact CG2-CD2 4.48Å; I59-Y122 WeakPolarHBondContact O-CB 3.29Å; I59-F123 HydrophobicContact CD1-CD2 4.07Å; I59-F123 VanDerWaalsContact O-CB 3.3Å; I59-F123 WeakPolarHBondContact O-CB 3.41Å; I59-F123 PolarHBondContact O-N 3.41Å; I59-L141 HydrophobicContact CD1-CB 4.47Å; I59-L141 HydrophobicContact CG2-CD2 3.81Å; I59-L142 WeakPolarHBondContact CG1-O 3.46Å; I59-L142 PolarHBondContact N-O 3Å; I59-L143 HydrophobicContact CD1-CB 4.35Å; I59-L143 HydrophobicContact CD1-CD1 4.46Å; I59-L143 HydrophobicContact CG1-CB 4.29Å; I59-L143 HydrophobicContact CG1-CD1 4.25Å; I59-W202 HydrophobicContact CB-CH2 3.68Å; I59-W202 HydrophobicContact CB-CZ2 3.83Å; I59-W202 HydrophobicContact CB-CZ3 4.4Å; I59-W202 HydrophobicContact CD1-CD2 3.72Å; I59-W202 HydrophobicContact CD1-CE3 3.82Å; I59-W202 HydrophobicContact CD1-CG 4.43Å; I59-W202 HydrophobicContact CD1-CH2 3.79Å; I59-W202 HydrophobicContact CD1-CZ2 3.71Å; I59-W202 HydrophobicContact CD1-CZ3 3.85Å; I59-W202 HydrophobicContact CG1-CH2 4.34Å; I59-W202 HydrophobicContact CG1-CZ2 4.33Å; I59-W202 HydrophobicContact CG2-CH2 3.29Å; I59-W202 HydrophobicContact CG2-CZ2 3.99Å; I59-W202 HydrophobicContact CG2-CZ3 3.77Å
60	G	98.8	Very high	98.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-167.8	-172.1	0	0	0	0	0	113.6	I58 T66 I144	I58-G60 VanDerWaalsContact C-N 3.34Å; I58-G60 PolarHBondContact O-N 3.27Å; G60-T66 WeakPolarHBondContact O-CG2 3.29Å; G60-I144 CarbonylContact C-O 3.46Å; G60-I144 WeakPolarHBondContact O-CG2 3.29Å; G60-I144 PolarHBondContact O-N 2.97Å
61	V	98.8	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.			cis	-88	154.7	-5.9	71.7	0	0	0	0	111.2	K63 G64 T66 F123 T124 I144 L145 R151 Y195	V61-K63 PolarHBondContact O-N 3.41Å; V61-K63 VanDerWaalsContact O-N 3.14Å; V61-G64 PolarHBondContact O-N 3.46Å; V61-T66 WeakPolarHBondContact O-CG2 3.25Å; V61-F123 HydrophobicContact CB-CD1 4.04Å; V61-F123 HydrophobicContact CG2-CD1 3.84Å; V61-F123 HydrophobicContact CG2-CE1 4.44Å; V61-T124 HydrophobicContact CG2-CG2 4.29Å; V61-I144 PolarHBondContact N-O 3.08Å; V61-L145 HydrophobicContact CB-CD2 3.85Å; V61-L145 HydrophobicContact CG1-CD2 3.69Å; V61-R151 HydrophobicContact CG1-CG 4.22Å; V61-Y195 HydrophobicContact CB-CE1 4.46Å; V61-Y195 HydrophobicContact CG1-CE1 3.99Å; V61-Y195 HydrophobicContact CG2-CE1 4.31Å
62	R	98.7	Very high	98.5	Very high	85 Å²	85	20.2 Å²	20.2	32%	0.321	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	123.4	167.7	169.7	169.7	168.7	148.9	-0.5	110.5	G64 P120 R151 D155	R62-G64 PolarHBondContact O-N 3.48Å; R62-P120 HydrophobicContact CB-CB 4.15Å; R62-P120 PolarHBondContact N-O 3Å; R62-R151 WeakPolarHBondContact O-CD 3.44Å; R62-R151 PolarHBondContact O-NH1 3.43Å; R62-D155 IonicContact CZ-OD1 3.88Å; R62-D155 IonicContact NE-OD1 3.17Å; R62-D155 PolarHBondContact NE-OD1 3.23Å; R62-D155 IonicContact NE-OD2 2.63Å; R62-D155 PolarHBondContact NE-OD2 3.39Å; R62-D155 IonicContact NH2-OD1 3.36Å; R62-D155 PolarHBondContact NH2-OD1 2.91Å
63	K	98.4	Very high	98.6	Very high	43 Å²	43	18.7 Å²	18.7	19%	0.187	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	12.1	-175.6	-50.2	-59.4	-63.6	-176.8	0	116	V61 G65 R151 S154 D155 Q158	V61-K63 PolarHBondContact O-N 3.41Å; V61-K63 VanDerWaalsContact O-N 3.14Å; K63-G65 VanDerWaalsContact C-N 3.31Å; K63-R151 HydrophobicContact CB-CG 4.29Å; K63-S154 VanDerWaalsContact CE-O 3.28Å; K63-S154 WeakPolarHBondContact CE-O 3.46Å; K63-S154 WeakPolarHBondContact CE-OG 3.37Å; K63-D155 HydrophobicContact CG-CB 4.13Å; K63-Q158 HydrophobicContact CD-CB 4.16Å; K63-Q158 HydrophobicContact CD-CG 4.48Å
64	G	98.4	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.3	171	0	0	0	0	0	114.6	V61 R62 I144 R146	V61-G64 PolarHBondContact O-N 3.46Å; R62-G64 PolarHBondContact O-N 3.48Å; G64-I144 VanDerWaalsContact O-CD1 3.3Å; G64-I144 WeakPolarHBondContact O-CD1 3.35Å; G64-I144 WeakPolarHBondContact O-CG1 3.45Å; G64-R146 WeakPolarHBondContact O-CD 3.3Å; G64-R146 WeakPolarHBondContact O-CG 3.49Å
65	G	98.4	Very high	98.5	Very high	28 Å²	28	18.4 Å²	18.4	29%	0.289	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	15.6	-175.7	0	0	0	0	0	114	K63 R67 A68 L69	K63-G65 VanDerWaalsContact C-N 3.31Å; G65-R67 VanDerWaalsContact C-N 3.25Å; G65-R67 PolarHBondContact O-N 2.98Å; G65-R67 VanDerWaalsContact O-N 3.1Å; G65-A68 WeakPolarHBondContact O-CA 3.16Å; G65-A68 WeakPolarHBondContact O-CB 3.31Å; G65-A68 PolarHBondContact O-N 3.08Å; G65-L69 PolarHBondContact O-N 3.25Å
66	T	98.6	Very high	98.5	Very high	10 Å²	10	16 Å²	16	6%	0.061	8%	0.084	C	C	.	.	H	α-helix	trans	-50.1	-39.9	-176.8	59.8	0	0	0	0	114	I58 G60 V61 L69 I70 K118 P120 I144	I58-T66 HydrophobicContact CG2-CG2 3.99Å; G60-T66 WeakPolarHBondContact O-CG2 3.29Å; V61-T66 WeakPolarHBondContact O-CG2 3.25Å; T66-L69 PolarHBondContact O-N 3.15Å; T66-I70 PolarHBondContact O-N 3.45Å; T66-K118 WeakPolarHBondContact O-CD 3.47Å; T66-K118 PolarHBondContact OG1-NZ 3.37Å; T66-P120 HydrophobicContact CG2-CB 4.12Å; T66-P120 HydrophobicContact CG2-CG 4.04Å; T66-P120 VanDerWaalsContact OG1-CG 3.28Å; T66-P120 WeakPolarHBondContact OG1-CG 3.25Å; T66-I144 HydrophobicContact CG2-CG2 3.53Å
67	R	98.4	Very high	98.4	Very high	48 Å²	48	19.4 Å²	19.4	18%	0.181	11%	0.109	C	C	.	.	H	α-helix	trans	-67.2	-38.7	176.9	177.3	58.8	70.1	-179.7	-1.1	111.4	G65 L69 I70 E71 Q83 L265 K269	G65-R67 VanDerWaalsContact C-N 3.25Å; G65-R67 PolarHBondContact O-N 2.98Å; G65-R67 VanDerWaalsContact O-N 3.1Å; R67-L69 VanDerWaalsContact C-N 3.34Å; R67-I70 WeakPolarHBondContact O-CG2 3.26Å; R67-E71 VanDerWaalsContact CD-OE1 3.29Å; R67-E71 WeakPolarHBondContact CD-OE1 3.48Å; R67-E71 HydrophobicContact CG-CG 4.19Å; R67-E71 IonicContact CZ-OE1 2.67Å; R67-E71 IonicContact NE-OE1 2.73Å; R67-E71 IonicContact NH1-OE1 3.23Å; R67-E71 PolarHBondContact NH1-OE1 3.34Å; R67-E71 WeakPolarHBondContact O-CB 3.18Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 2.93Å; R67-Q83 PolarHBondContact NH1-O 3.44Å; R67-Q83 PolarHBondContact NH2-O 3.19Å; R67-L265 HydrophobicContact CG-CD2 4.39Å; R67-K269 HydrophobicContact CB-CD 4.42Å
68	A	98.5	Very high	98.4	Very high	18 Å²	18	20.6 Å²	20.6	15%	0.149	12%	0.118	C	C	.	.	H	α-helix	trans	-61.4	-48.2	174	0	0	0	0	0	110	G65 I70 E71 M72 L219 L265	G65-A68 WeakPolarHBondContact O-CA 3.16Å; G65-A68 WeakPolarHBondContact O-CB 3.31Å; G65-A68 PolarHBondContact O-N 3.08Å; A68-I70 PolarHBondContact O-N 3.12Å; A68-E71 PolarHBondContact O-N 3.04Å; A68-M72 HydrophobicContact CB-CE 4.27Å; A68-M72 HydrophobicContact CB-SD 4.48Å; A68-M72 WeakPolarHBondContact O-CB 3.46Å; A68-M72 WeakPolarHBondContact O-CG 3.47Å; A68-M72 PolarHBondContact O-N 3.43Å; A68-L219 HydrophobicContact CB-CD2 4.32Å; A68-L265 HydrophobicContact CB-CD1 3.67Å
69	L	98.9	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.8	-49.1	-179.9	179.6	59.5	0	0	0	113.1	I58 G65 T66 R67 M72 L73 L142 I144 V214 L219 M227 V230	I58-L69 HydrophobicContact CD1-CB 4.5Å; I58-L69 HydrophobicContact CD1-CD2 4.16Å; I58-L69 HydrophobicContact CD1-CG 3.99Å; I58-L69 HydrophobicContact CG1-CD2 4.1Å; I58-L69 HydrophobicContact CG1-CG 4.45Å; I58-L69 HydrophobicContact CG2-CD2 3.99Å; G65-L69 PolarHBondContact O-N 3.25Å; T66-L69 PolarHBondContact O-N 3.15Å; R67-L69 VanDerWaalsContact C-N 3.34Å; L69-M72 PolarHBondContact O-N 2.9Å; L69-L73 VanDerWaalsContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CB 3.39Å; L69-L73 PolarHBondContact O-N 3.04Å; L69-L142 HydrophobicContact CD2-CB 4.21Å; L69-L142 HydrophobicContact CD2-CD1 4.38Å; L69-I144 HydrophobicContact CB-CD1 4.31Å; L69-I144 HydrophobicContact CD2-CB 4.07Å; L69-I144 HydrophobicContact CD2-CG2 4.13Å; L69-V214 HydrophobicContact CD1-CG2 4.27Å; L69-V214 HydrophobicContact CD2-CG2 4.05Å; L69-L219 HydrophobicContact CB-CD2 4.44Å; L69-M227 HydrophobicContact CD1-CE 4.36Å; L69-M227 HydrophobicContact CD1-SD 3.84Å; L69-V230 HydrophobicContact CD1-CG2 4.15Å
70	I	98.7	Very high	98.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-41.8	179.8	-162.5	168.7	0	0	0	111.6	I58 T66 R67 A68 M72 L73 S74 A81 V116 K118	I58-I70 HydrophobicContact CD1-CB 3.58Å; I58-I70 HydrophobicContact CD1-CD1 4.43Å; I58-I70 HydrophobicContact CD1-CG1 3.98Å; T66-I70 PolarHBondContact O-N 3.45Å; R67-I70 WeakPolarHBondContact O-CG2 3.26Å; A68-I70 PolarHBondContact O-N 3.12Å; I70-M72 VanDerWaalsContact C-N 3.33Å; I70-M72 PolarHBondContact O-N 2.98Å; I70-L73 PolarHBondContact O-N 3.23Å; I70-S74 PolarHBondContact O-N 2.87Å; I70-S74 PolarHBondContact O-OG 3.19Å; I70-A81 HydrophobicContact CD1-CB 3.7Å; I70-A81 HydrophobicContact CG1-CB 3.67Å; I70-V116 HydrophobicContact CD1-CG1 4.27Å; I70-V116 HydrophobicContact CG1-CG1 4.13Å; I70-K118 HydrophobicContact CB-CB 4.42Å; I70-K118 HydrophobicContact CB-CD 4.16Å; I70-K118 HydrophobicContact CD1-CB 3.71Å; I70-K118 HydrophobicContact CG2-CD 3.82Å
71	E	98.4	Very high	98.3	Very high	33 Å²	33	23.3 Å²	23.3	15%	0.154	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-34.6	-178.9	-63.5	-66.7	154.5	0	0	112.3	R67 A68 L256 R263 L265	R67-E71 VanDerWaalsContact CD-OE1 3.29Å; R67-E71 WeakPolarHBondContact CD-OE1 3.48Å; R67-E71 HydrophobicContact CG-CG 4.19Å; R67-E71 IonicContact CZ-OE1 2.67Å; R67-E71 IonicContact NE-OE1 2.73Å; R67-E71 IonicContact NH1-OE1 3.23Å; R67-E71 PolarHBondContact NH1-OE1 3.34Å; R67-E71 WeakPolarHBondContact O-CB 3.18Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 2.93Å; A68-E71 PolarHBondContact O-N 3.04Å; E71-L256 HydrophobicContact CB-CD1 3.77Å; E71-R263 IonicContact OE2-CZ 2.85Å; E71-R263 IonicContact OE2-NH1 3.94Å; E71-R263 PolarHBondContact OE2-NH1 3.31Å; E71-R263 IonicContact OE2-NH2 2.78Å; E71-R263 PolarHBondContact OE2-NH2 2.82Å; E71-L265 HydrophobicContact CB-CD2 4.1Å; E71-L265 HydrophobicContact CG-CD2 3.85Å
72	M	98.6	Very high	98.3	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.044	14%	0.139	C	C	.	.	H	α-helix	trans	-71.4	-39.2	174.3	-67.9	173.1	173.9	0	0	111.4	A68 L69 I70 S74 L75 L219 P223 M227 I240 F245 L256	A68-M72 HydrophobicContact CB-CE 4.27Å; A68-M72 HydrophobicContact CB-SD 4.48Å; A68-M72 WeakPolarHBondContact O-CB 3.46Å; A68-M72 WeakPolarHBondContact O-CG 3.47Å; A68-M72 PolarHBondContact O-N 3.43Å; L69-M72 PolarHBondContact O-N 2.9Å; I70-M72 VanDerWaalsContact C-N 3.33Å; I70-M72 PolarHBondContact O-N 2.98Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-L75 VanDerWaalsContact O-CB 3.28Å; M72-L75 WeakPolarHBondContact O-CB 3.21Å; M72-L75 WeakPolarHBondContact O-CD1 3.46Å; M72-L75 WeakPolarHBondContact O-CG 3.42Å; M72-L75 PolarHBondContact O-N 2.9Å; M72-L219 HydrophobicContact SD-CD1 3.85Å; M72-L219 HydrophobicContact SD-CD2 4.14Å; M72-L219 HydrophobicContact SD-CG 4.05Å; M72-P223 HydrophobicContact CE-CB 3.77Å; M72-P223 HydrophobicContact CE-CG 4.4Å; M72-P223 HydrophobicContact SD-CB 3.94Å; M72-M227 HydrophobicContact CB-CE 3.92Å; M72-M227 HydrophobicContact CB-CG 4.12Å; M72-M227 HydrophobicContact CB-SD 3.7Å; M72-M227 HydrophobicContact SD-CG 4.41Å; M72-M227 HydrophobicContact SD-SD 4.32Å; M72-I240 WeakPolarHBondContact O-CD1 3Å; M72-F245 HydrophobicContact CB-CE1 4.41Å; M72-F245 HydrophobicContact CE-CD1 4.5Å; M72-F245 HydrophobicContact CE-CE1 4.2Å; M72-F245 HydrophobicContact CG-CE1 3.89Å; M72-F245 HydrophobicContact SD-CE1 4.09Å; M72-L256 HydrophobicContact CE-CD2 4.21Å; M72-L256 HydrophobicContact CG-CD1 4.44Å; M72-L256 HydrophobicContact CG-CD2 3.7Å
73	L	98.4	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.5	-35.7	177	-175.5	59.4	0	0	0	111.9	L69 I70 L75 H76 V79 V116 L142 M227 V230 L234 L236	L69-L73 VanDerWaalsContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CB 3.39Å; L69-L73 PolarHBondContact O-N 3.04Å; I70-L73 PolarHBondContact O-N 3.23Å; L73-L75 PolarHBondContact O-N 2.81Å; L73-L75 VanDerWaalsContact O-N 3.09Å; L73-H76 WeakPolarHBondContact O-CB 3.36Å; L73-H76 PolarHBondContact O-N 2.83Å; L73-V79 HydrophobicContact CD1-CG2 4.26Å; L73-V79 HydrophobicContact CD2-CG1 4.29Å; L73-V79 HydrophobicContact CG-CB 4.5Å; L73-V79 HydrophobicContact CG-CG1 4.01Å; L73-V79 HydrophobicContact CG-CG2 4.33Å; L73-V116 HydrophobicContact CD2-CG1 4.42Å; L73-V116 HydrophobicContact CD2-CG2 4.3Å; L73-L142 HydrophobicContact CD2-CD1 3.98Å; L73-M227 HydrophobicContact CB-CE 3.99Å; L73-M227 HydrophobicContact CD1-CE 4.23Å; L73-V230 HydrophobicContact CD1-CG1 3.92Å; L73-L234 HydrophobicContact CD1-CD1 3.93Å; L73-L234 HydrophobicContact CD2-CD1 4.04Å; L73-L236 HydrophobicContact CD1-CD1 4.31Å
74	S	97.1	Very high	97.9	Very high	36 Å²	36	30.6 Å²	30.6	25%	0.252	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-4	174.6	-57.4	0	0	0	0	114.7	I70 M72 A81	I70-S74 PolarHBondContact O-N 2.87Å; I70-S74 PolarHBondContact O-OG 3.19Å; M72-S74 VanDerWaalsContact C-N 3.34Å; S74-A81 WeakPolarHBondContact OG-CB 3.26Å
75	L	97.8	Very high	97.9	Very high	18 Å²	18	34.1 Å²	34.1	9%	0.094	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.5	168.2	-63.8	170.1	0	0	0	111.9	M72 L73 I240 N244 F245 L256 D258	M72-L75 VanDerWaalsContact O-CB 3.28Å; M72-L75 WeakPolarHBondContact O-CB 3.21Å; M72-L75 WeakPolarHBondContact O-CD1 3.46Å; M72-L75 WeakPolarHBondContact O-CG 3.42Å; M72-L75 PolarHBondContact O-N 2.9Å; L73-L75 PolarHBondContact O-N 2.81Å; L73-L75 VanDerWaalsContact O-N 3.09Å; L75-I240 HydrophobicContact CB-CD1 4.49Å; L75-I240 HydrophobicContact CB-CG1 4.16Å; L75-N244 HydrophobicContact CD1-CB 3.85Å; L75-F245 HydrophobicContact CD1-CE1 4.38Å; L75-F245 HydrophobicContact CD1-CZ 4.32Å; L75-L256 HydrophobicContact CD1-CD2 4.25Å; L75-D258 HydrophobicContact CD2-CB 3.71Å
76	H	98.1	Very high	97.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	19%	0.186	C	C	.	.	S	Bend	trans	-81.3	125.2	178	-169.5	-70.6	0	0	0	110.3	L73 A78 V79 E231 E237 Q239 I240	L73-H76 WeakPolarHBondContact O-CB 3.36Å; L73-H76 PolarHBondContact O-N 2.83Å; H76-A78 VanDerWaalsContact CE1-CB 3.43Å; H76-A78 WeakPolarHBondContact CE1-CB 3.14Å; H76-A78 WeakPolarHBondContact ND1-CB 3.4Å; H76-A78 PolarHBondContact ND1-N 3.34Å; H76-A78 PolarHBondContact O-N 3.25Å; H76-A78 VanDerWaalsContact O-N 3.15Å; H76-V79 HydrophobicContact CB-CB 4.47Å; H76-V79 HydrophobicContact CB-CG2 4.14Å; H76-V79 PolarHBondContact O-N 3.35Å; H76-E231 IonicContact CD2-OE1 3.2Å; H76-E237 PolarHBondContact CD2-O 3.23Å; H76-E237 PolarHBondContact NE2-O 2.83Å; H76-Q239 WeakPolarHBondContact NE2-CG 3.44Å; H76-I240 HydrophobicContact CB-CD1 4.24Å; H76-I240 HydrophobicContact CB-CG1 4.3Å
77	S	97.1	Very high	97.9	Very high	75 Å²	75	34.2 Å²	34.2	52%	0.524	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.4	-174.5	60.9	0	0	0	0	114.3	V79 Q113 Q239	S77-V79 VanDerWaalsContact C-N 3.27Å; S77-V79 PolarHBondContact O-N 3.48Å; S77-Q113 PolarHBondContact O-NE2 3.13Å; S77-Q239 VanDerWaalsContact N-OE1 3.14Å; S77-Q239 VanDerWaalsContact OG-CD 3.31Å; S77-Q239 PolarHBondContact OG-NE2 2.8Å; S77-Q239 VanDerWaalsContact OG-NE2 3.16Å; S77-Q239 PolarHBondContact OG-OE1 2.65Å
78	A	98	Very high	97.9	Very high	25 Å²	25	32 Å²	32	21%	0.207	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	7.1	174.9	0	0	0	0	0	114.7	H76 Q113 L114 L236	H76-A78 VanDerWaalsContact CE1-CB 3.43Å; H76-A78 WeakPolarHBondContact CE1-CB 3.14Å; H76-A78 WeakPolarHBondContact ND1-CB 3.4Å; H76-A78 PolarHBondContact ND1-N 3.34Å; H76-A78 PolarHBondContact O-N 3.25Å; H76-A78 VanDerWaalsContact O-N 3.15Å; A78-Q113 CarbonylContact O-C 3.53Å; A78-Q113 WeakPolarHBondContact O-CA 3.45Å; A78-L114 PolarHBondContact O-N 2.95Å; A78-L236 HydrophobicContact CB-CD2 4.12Å
79	V	98.3	Very high	97.9	Very high	8 Å²	8	31.2 Å²	31.2	5%	0.048	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.6	-180	-177.2	0	0	0	0	111.3	L73 H76 S77 L114 V116 L236	L73-V79 HydrophobicContact CD1-CG2 4.26Å; L73-V79 HydrophobicContact CD2-CG1 4.29Å; L73-V79 HydrophobicContact CG-CB 4.5Å; L73-V79 HydrophobicContact CG-CG1 4.01Å; L73-V79 HydrophobicContact CG-CG2 4.33Å; H76-V79 HydrophobicContact CB-CB 4.47Å; H76-V79 HydrophobicContact CB-CG2 4.14Å; H76-V79 PolarHBondContact O-N 3.35Å; S77-V79 VanDerWaalsContact C-N 3.27Å; S77-V79 PolarHBondContact O-N 3.48Å; V79-L114 CarbonylContact C-O 3.44Å; V79-L114 WeakPolarHBondContact CA-O 3.47Å; V79-V116 HydrophobicContact CG1-CB 4.26Å; V79-V116 HydrophobicContact CG1-CG1 3.51Å; V79-L236 HydrophobicContact CG2-CD1 3.6Å; V79-L236 HydrophobicContact CG2-CD2 4.46Å
80	V	98.2	Very high	97.9	Very high	28 Å²	28	32.1 Å²	32.1	17%	0.17	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	124.2	174.6	-167.5	0	0	0	0	109.5	P107 A109 Q113 L114 T115 V116	V80-P107 HydrophobicContact CB-CG 4.19Å; V80-P107 HydrophobicContact CG1-CB 3.62Å; V80-P107 HydrophobicContact CG1-CG 3.53Å; V80-A109 HydrophobicContact CB-CB 4.15Å; V80-A109 HydrophobicContact CG2-CB 3.86Å; V80-Q113 HydrophobicContact CG2-CB 3.99Å; V80-Q113 VanDerWaalsContact CG2-CD 3.44Å; V80-Q113 HydrophobicContact CG2-CG 4.29Å; V80-Q113 VanDerWaalsContact CG2-OE1 3.3Å; V80-L114 PolarHBondContact N-O 3.29Å; V80-T115 WeakPolarHBondContact O-CA 3.07Å; V80-V116 PolarHBondContact O-N 3.18Å
81	A	98.1	Very high	97.9	Very high	21 Å²	21	37.8 Å²	37.8	17%	0.174	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	135.3	-175.9	0	0	0	0	0	113	I70 S74 Q83 V116	I70-A81 HydrophobicContact CD1-CB 3.7Å; I70-A81 HydrophobicContact CG1-CB 3.67Å; S74-A81 WeakPolarHBondContact OG-CB 3.26Å; A81-Q83 PolarHBondContact O-N 2.98Å; A81-V116 WeakPolarHBondContact CA-O 3.27Å; A81-V116 HydrophobicContact CB-CG1 3.79Å
82	A	98.1	Very high	97.9	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	21%	0.209	C	C	.	.			trans	-60.2	131.1	161.7	0	0	0	0	0	109.7	N84 V86 M106 V116 E117	A82-N84 PolarHBondContact O-N 3.01Å; A82-V86 HydrophobicContact CB-CG2 4.42Å; A82-M106 HydrophobicContact CB-CE 4.44Å; A82-V116 PolarHBondContact N-O 3.36Å; A82-E117 HydrophobicContact CB-CB 4.05Å
83	Q	93.3	Very high	97.9	Very high	159 Å²	159	42.4 Å²	42.4	74%	0.743	23%	0.23	S	C	*	.	S	Bend	trans	-68.1	-38.7	-172.6	-65.2	-175.9	-1.7	0	0	112.3	R67 A81	R67-Q83 PolarHBondContact NH1-O 3.44Å; R67-Q83 PolarHBondContact NH2-O 3.19Å; A81-Q83 PolarHBondContact O-N 2.98Å
84	N	95.8	Very high	97.9	Very high	117 Å²	117	44 Å²	44	63%	0.626	24%	0.237	S	C	*	.	S	Bend	trans	-111.6	161.3	-171.5	-66	-43.8	0	0	0	112.5	A82 V86	A82-N84 PolarHBondContact O-N 3.01Å; N84-V86 PolarHBondContact O-N 2.88Å
85	E	98.4	Very high	98	Very high	74 Å²	74	45 Å²	45	35%	0.346	24%	0.237	S	C	.	.			trans	-72.7	117.6	169	-50.9	-172.2	173.8	0	0	107.5	H87 K118 P120	E85-H87 IonicContact OE2-NE2 3.91Å; E85-K118 WeakPolarHBondContact CG-O 3.38Å; E85-K118 IonicContact OE1-NZ 2.9Å; E85-K118 PolarHBondContact OE1-NZ 2.92Å; E85-P120 VanDerWaalsContact CD-CD 3.42Å; E85-P120 VanDerWaalsContact OE2-CD 3.3Å; E85-P120 WeakPolarHBondContact OE2-CD 3.4Å
86	V	98.5	Very high	98	Very high	12 Å²	12	51.5 Å²	51.5	7%	0.073	27%	0.267	C	S	.	.			trans	-81.1	-29.2	-166.9	-171.6	0	0	0	0	112	A82 N84 F88 H94 W101 Y102 Q105 M106 E117 T119	A82-V86 HydrophobicContact CB-CG2 4.42Å; N84-V86 PolarHBondContact O-N 2.88Å; V86-F88 HydrophobicContact CG1-CB 4.19Å; V86-F88 PolarHBondContact O-N 3.2Å; V86-H94 PolarHBondContact O-ND1 3.11Å; V86-W101 HydrophobicContact CG1-CH2 4.19Å; V86-W101 HydrophobicContact CG1-CZ3 4.14Å; V86-Y102 HydrophobicContact CB-CE2 4.13Å; V86-Y102 HydrophobicContact CG1-CD2 3.71Å; V86-Y102 HydrophobicContact CG1-CE2 3.71Å; V86-Q105 HydrophobicContact CG1-CB 3.76Å; V86-Q105 HydrophobicContact CG1-CG 3.83Å; V86-M106 HydrophobicContact CG1-CE 4.47Å; V86-M106 HydrophobicContact CG2-CE 3.87Å; V86-E117 HydrophobicContact CG2-CB 4.3Å; V86-T119 PolarHBondContact N-OG1 2.98Å
87	H	98.8	Very high	98	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.134	29%	0.289	C	S	.	.			trans	53.7	35.2	179.9	-72.6	-76.1	0	0	0	113.9	E85 D90 W91 H94 T119	E85-H87 IonicContact OE2-NE2 3.91Å; H87-D90 WeakPolarHBondContact CA-OD1 3.49Å; H87-D90 WeakPolarHBondContact CB-OD1 3.27Å; H87-D90 IonicContact CE1-OD2 2.8Å; H87-D90 IonicContact CG-OD1 2.8Å; H87-D90 IonicContact CG-OD2 3.71Å; H87-D90 IonicContact ND1-OD1 3.45Å; H87-D90 PolarHBondContact ND1-OD1 3.49Å; H87-D90 IonicContact ND1-OD2 3.51Å; H87-D90 PolarHBondContact ND1-OD2 2.94Å; H87-W91 HydrophobicContact CB-CD2 3.67Å; H87-W91 HydrophobicContact CB-CE3 4.09Å; H87-W91 HydrophobicContact CB-CG 3.91Å; H87-W91 HydrophobicContact CB-CZ2 4.18Å; H87-W91 AromaticContact CD2-CZ2 3.86Å; H87-W91 AromaticContact CG-CE2 3.63Å; H87-W91 AromaticContact CG-CZ2 3.79Å; H87-W91 AromaticContact CG-NE1 3.73Å; H87-W91 AromaticContact ND1-CE2 3.74Å; H87-W91 AromaticContact ND1-NE1 3.38Å; H87-W91 PolarHBondContact ND1-NE1 3.26Å; H87-W91 WeakPolarHBondContact O-CB 3.39Å; H87-W91 PolarHBondContact O-N 3.06Å; H87-H94 WeakPolarHBondContact O-CB 3.45Å; H87-H94 PolarHBondContact O-ND1 3.02Å; H87-T119 HydrophobicContact CB-CG2 4.48Å; H87-T119 PolarHBondContact N-OG1 3.06Å; H87-T119 WeakPolarHBondContact ND1-CG2 3.39Å
88	F	98.9	Very high	98.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-50.5	-176.1	177.1	-119.8	0	0	0	111.6	V86 H94 F95 G98 L99 W101 Y102 Y122	V86-F88 HydrophobicContact CG1-CB 4.19Å; V86-F88 PolarHBondContact O-N 3.2Å; F88-H94 HydrophobicContact CD2-CB 4.42Å; F88-H94 WeakPolarHBondContact CE2-O 3.38Å; F88-F95 HydrophobicContact CD1-CD2 4.47Å; F88-F95 HydrophobicContact CE1-CD2 4.02Å; F88-F95 HydrophobicContact CE1-CE2 4.22Å; F88-F95 HydrophobicContact CE2-CD2 4.31Å; F88-F95 AromaticContact CZ-CD2 3.93Å; F88-F95 HydrophobicContact CZ-CD2 3.93Å; F88-F95 HydrophobicContact CZ-CE2 4.31Å; F88-F95 WeakPolarHBondContact O-CA 3.19Å; F88-F95 WeakPolarHBondContact O-CB 3.4Å; F88-F95 PolarHBondContact O-N 3.42Å; F88-G98 WeakPolarHBondContact CE2-O 3.4Å; F88-L99 HydrophobicContact CE1-CD2 3.88Å; F88-L99 HydrophobicContact CZ-CD2 4.11Å; F88-W101 HydrophobicContact CB-CZ3 4.11Å; F88-W101 AromaticContact CD2-CE3 3.59Å; F88-W101 HydrophobicContact CD2-CE3 3.59Å; F88-W101 AromaticContact CD2-CZ3 3.6Å; F88-W101 HydrophobicContact CD2-CZ3 3.6Å; F88-W101 HydrophobicContact CE2-CE3 4.08Å; F88-W101 HydrophobicContact CG-CZ3 4.27Å; F88-Y102 HydrophobicContact CB-CD2 3.34Å; F88-Y102 HydrophobicContact CB-CE2 3.53Å; F88-Y102 HydrophobicContact CB-CG 4.03Å; F88-Y102 AromaticContact CD1-CD1 3.6Å; F88-Y102 HydrophobicContact CD1-CD1 3.6Å; F88-Y102 AromaticContact CD1-CD2 3.65Å; F88-Y102 HydrophobicContact CD1-CD2 3.65Å; F88-Y102 HydrophobicContact CD1-CE1 4.01Å; F88-Y102 HydrophobicContact CD1-CE2 4.03Å; F88-Y102 AromaticContact CD1-CG 3.4Å; F88-Y102 HydrophobicContact CD1-CG 3.4Å; F88-Y102 VanDerWaalsContact CD1-CG 3.4Å; F88-Y102 HydrophobicContact CD2-CD2 4.16Å; F88-Y102 HydrophobicContact CD2-CG 4.13Å; F88-Y102 AromaticContact CE1-CD1 3.85Å; F88-Y102 HydrophobicContact CE1-CD1 3.85Å; F88-Y102 HydrophobicContact CE1-CD2 4.49Å; F88-Y102 AromaticContact CE1-CG 3.82Å; F88-Y102 HydrophobicContact CE1-CG 3.82Å; F88-Y102 HydrophobicContact CE2-CG 4.46Å; F88-Y102 HydrophobicContact CG-CD1 4.25Å; F88-Y102 AromaticContact CG-CD2 3.45Å; F88-Y102 HydrophobicContact CG-CD2 3.45Å; F88-Y102 VanDerWaalsContact CG-CD2 3.45Å; F88-Y102 HydrophobicContact CG-CE2 4Å; F88-Y102 AromaticContact CG-CG 3.58Å; F88-Y102 HydrophobicContact CG-CG 3.58Å; F88-Y102 HydrophobicContact CZ-CG 4.33Å; F88-Y122 PolarHBondContact N-OH 3.05Å; F88-Y122 VanDerWaalsContact N-OH 3.09Å
89	F	98.9	Very high	98.1	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.7	-172.1	-61.2	-71.5	0	0	0	113.9	I57 F95 Y102 Y122 V128 R131 I132 M135	I57-F89 HydrophobicContact CD1-CE2 4Å; F89-F95 HydrophobicContact CD1-CD2 4.17Å; F89-F95 AromaticContact CD1-CE2 3.99Å; F89-F95 HydrophobicContact CD1-CE2 3.99Å; F89-F95 HydrophobicContact CE1-CE2 4.4Å; F89-Y102 AromaticContact CE2-CE1 3.77Å; F89-Y102 HydrophobicContact CE2-CE1 3.77Å; F89-Y102 AromaticContact CE2-CZ 3.68Å; F89-Y102 WeakPolarHBondContact CE2-OH 3.5Å; F89-Y102 HydrophobicContact CZ-CD1 4.36Å; F89-Y102 AromaticContact CZ-CE1 3.79Å; F89-Y102 HydrophobicContact CZ-CE1 3.79Å; F89-Y122 HydrophobicContact CB-CD1 4.38Å; F89-Y122 HydrophobicContact CB-CE1 3.96Å; F89-Y122 HydrophobicContact CD2-CE1 4.31Å; F89-Y122 AromaticContact CD2-CE2 3.77Å; F89-Y122 HydrophobicContact CD2-CE2 3.77Å; F89-Y122 AromaticContact CD2-CZ 3.67Å; F89-V128 HydrophobicContact CB-CB 4.32Å; F89-V128 HydrophobicContact CB-CG1 3.79Å; F89-V128 HydrophobicContact CB-CG2 3.89Å; F89-V128 WeakPolarHBondContact O-CG2 3.3Å; F89-R131 HydrophobicContact CD1-CB 3.65Å; F89-R131 HydrophobicContact CE1-CB 4.32Å; F89-R131 HydrophobicContact CG-CB 4.48Å; F89-R131 WeakPolarHBondContact O-CD 3.43Å; F89-R131 PolarHBondContact O-NH1 2.92Å; F89-I132 HydrophobicContact CB-CG1 4.39Å; F89-I132 HydrophobicContact CD1-CG1 3.96Å; F89-I132 HydrophobicContact CD2-CD1 3.9Å; F89-I132 HydrophobicContact CD2-CG1 3.49Å; F89-I132 VanDerWaalsContact CD2-CG1 3.49Å; F89-I132 HydrophobicContact CE1-CG1 4.01Å; F89-I132 HydrophobicContact CE2-CD1 4.2Å; F89-I132 HydrophobicContact CE2-CG1 3.58Å; F89-I132 HydrophobicContact CG-CD1 4.35Å; F89-I132 HydrophobicContact CG-CG1 3.68Å; F89-I132 HydrophobicContact CZ-CG1 3.83Å; F89-M135 HydrophobicContact CZ-CB 4.47Å; F89-M135 HydrophobicContact CZ-CE 3.97Å; F89-M135 HydrophobicContact CZ-SD 3.73Å
90	D	98.7	Very high	98.1	Very high	19 Å²	19	61 Å²	61	10%	0.102	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-28.1	-176.9	67.6	-44	0	0	0	114.2	H87 A121 Y122 K127 V128	H87-D90 WeakPolarHBondContact CA-OD1 3.49Å; H87-D90 WeakPolarHBondContact CB-OD1 3.27Å; H87-D90 IonicContact CE1-OD2 2.8Å; H87-D90 IonicContact CG-OD1 2.8Å; H87-D90 IonicContact CG-OD2 3.71Å; H87-D90 IonicContact ND1-OD1 3.45Å; H87-D90 PolarHBondContact ND1-OD1 3.49Å; H87-D90 IonicContact ND1-OD2 3.51Å; H87-D90 PolarHBondContact ND1-OD2 2.94Å; D90-A121 WeakPolarHBondContact OD2-CB 3.23Å; D90-Y122 HydrophobicContact CB-CD1 4.1Å; D90-Y122 HydrophobicContact CB-CE1 4.3Å; D90-Y122 WeakPolarHBondContact OD1-CE1 3.4Å; D90-K127 WeakPolarHBondContact O-CE 3.05Å; D90-K127 PolarHBondContact O-NZ 2.98Å; D90-V128 HydrophobicContact CB-CG2 3.95Å
91	W	98.7	Very high	98.2	Very high	119 Å²	119	61.9 Å²	61.9	45%	0.451	31%	0.314	S	S	.	.			trans	-95.5	123.5	176.2	-65.9	9.2	0	0	0	110.7	H87 S93 H94 F95	H87-W91 HydrophobicContact CB-CD2 3.67Å; H87-W91 HydrophobicContact CB-CE3 4.09Å; H87-W91 HydrophobicContact CB-CG 3.91Å; H87-W91 HydrophobicContact CB-CZ2 4.18Å; H87-W91 AromaticContact CD2-CZ2 3.86Å; H87-W91 AromaticContact CG-CE2 3.63Å; H87-W91 AromaticContact CG-CZ2 3.79Å; H87-W91 AromaticContact CG-NE1 3.73Å; H87-W91 AromaticContact ND1-CE2 3.74Å; H87-W91 AromaticContact ND1-NE1 3.38Å; H87-W91 PolarHBondContact ND1-NE1 3.26Å; H87-W91 WeakPolarHBondContact O-CB 3.39Å; H87-W91 PolarHBondContact O-N 3.06Å; W91-S93 VanDerWaalsContact C-N 3.27Å; W91-S93 PolarHBondContact O-N 2.93Å; W91-H94 HydrophobicContact CB-CB 4.27Å; W91-H94 AromaticContact CE3-CE1 3.41Å; W91-H94 VanDerWaalsContact CE3-CE1 3.41Å; W91-H94 AromaticContact CE3-ND1 3.78Å; W91-H94 AromaticContact CE3-NE2 3.68Å; W91-H94 AromaticContact CZ3-CE1 3.7Å; W91-H94 PolarHBondContact O-N 3.35Å; W91-H94 VanDerWaalsContact O-N 3.11Å; W91-F95 PolarHBondContact O-N 2.86Å
92	E	98.5	Very high	98.2	Very high	70 Å²	70	60.9 Å²	60.9	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-60.5	-38.8	179.7	-64.2	-50.6	120	0	0	112	H94 F95 Q96 K127 R131	E92-H94 PolarHBondContact O-N 3.4Å; E92-F95 PolarHBondContact O-N 3.1Å; E92-Q96 WeakPolarHBondContact O-CB 3.45Å; E92-Q96 VanDerWaalsContact O-CG 3.25Å; E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 3.36Å; E92-K127 WeakPolarHBondContact OE1-CD 3.26Å; E92-K127 VanDerWaalsContact OE1-CE 3.26Å; E92-K127 WeakPolarHBondContact OE1-CE 3.43Å; E92-K127 IonicContact OE1-NZ 3.04Å; E92-K127 PolarHBondContact OE1-NZ 2.98Å; E92-R131 IonicContact OE1-CZ 3.14Å; E92-R131 VanDerWaalsContact OE1-CZ 3.28Å; E92-R131 IonicContact OE1-NH1 3.28Å; E92-R131 PolarHBondContact OE1-NH1 2.87Å; E92-R131 IonicContact OE1-NH2 2.8Å; E92-R131 PolarHBondContact OE1-NH2 3.15Å; E92-R131 IonicContact OE2-CZ 2.97Å; E92-R131 IonicContact OE2-NH1 3.72Å; E92-R131 IonicContact OE2-NH2 2.72Å; E92-R131 PolarHBondContact OE2-NH2 2.98Å
93	S	98.4	Very high	98.2	Very high	70 Å²	70	63.4 Å²	63.4	49%	0.49	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-23.9	178.2	56.7	0	0	0	0	113.8	W91 K97	W91-S93 VanDerWaalsContact C-N 3.27Å; W91-S93 PolarHBondContact O-N 2.93Å; S93-K97 VanDerWaalsContact O-CE 3.26Å; S93-K97 WeakPolarHBondContact O-CE 3.29Å; S93-K97 WeakPolarHBondContact O-CG 3.47Å
94	H	98.6	Very high	98.4	Very high	33 Å²	33	58.5 Å²	58.5	15%	0.153	30%	0.302	C	S	.	.	H	α-helix	trans	-90.4	-47.2	174.5	-70.6	-173.8	0	0	0	110.5	V86 H87 F88 W91 E92 Q96 K97 W101	V86-H94 PolarHBondContact O-ND1 3.11Å; H87-H94 WeakPolarHBondContact O-CB 3.45Å; H87-H94 PolarHBondContact O-ND1 3.02Å; F88-H94 HydrophobicContact CD2-CB 4.42Å; F88-H94 WeakPolarHBondContact CE2-O 3.38Å; W91-H94 HydrophobicContact CB-CB 4.27Å; W91-H94 AromaticContact CE3-CE1 3.41Å; W91-H94 VanDerWaalsContact CE3-CE1 3.41Å; W91-H94 AromaticContact CE3-ND1 3.78Å; W91-H94 AromaticContact CE3-NE2 3.68Å; W91-H94 AromaticContact CZ3-CE1 3.7Å; W91-H94 PolarHBondContact O-N 3.35Å; W91-H94 VanDerWaalsContact O-N 3.11Å; E92-H94 PolarHBondContact O-N 3.4Å; H94-Q96 VanDerWaalsContact C-N 3.29Å; H94-Q96 PolarHBondContact O-N 3.45Å; H94-K97 WeakPolarHBondContact O-CB 3.47Å; H94-K97 PolarHBondContact O-N 3.19Å; H94-W101 HydrophobicContact CB-CE3 4.3Å; H94-W101 HydrophobicContact CB-CH2 3.74Å; H94-W101 HydrophobicContact CB-CZ2 4.5Å; H94-W101 HydrophobicContact CB-CZ3 3.63Å; H94-W101 AromaticContact CD2-CH2 3.93Å; H94-W101 AromaticContact CE1-CH2 3.77Å; H94-W101 AromaticContact CG-CH2 3.41Å; H94-W101 VanDerWaalsContact CG-CH2 3.41Å; H94-W101 AromaticContact CG-CZ2 3.98Å; H94-W101 AromaticContact CG-CZ3 3.88Å; H94-W101 AromaticContact ND1-CH2 3.32Å; H94-W101 VanDerWaalsContact ND1-CH2 3.32Å; H94-W101 WeakPolarHBondContact ND1-CH2 3.41Å
95	F	98.7	Very high	98.5	Very high	58 Å²	58	57 Å²	57	25%	0.254	29%	0.291	S	S	.	.	H	α-helix	trans	-57.5	-40.3	-178.5	-167.9	-113	0	0	0	112.8	F88 F89 W91 E92 K97 G98 R131	F88-F95 HydrophobicContact CD1-CD2 4.47Å; F88-F95 HydrophobicContact CE1-CD2 4.02Å; F88-F95 HydrophobicContact CE1-CE2 4.22Å; F88-F95 HydrophobicContact CE2-CD2 4.31Å; F88-F95 AromaticContact CZ-CD2 3.93Å; F88-F95 HydrophobicContact CZ-CD2 3.93Å; F88-F95 HydrophobicContact CZ-CE2 4.31Å; F88-F95 WeakPolarHBondContact O-CA 3.19Å; F88-F95 WeakPolarHBondContact O-CB 3.4Å; F88-F95 PolarHBondContact O-N 3.42Å; F89-F95 HydrophobicContact CD1-CD2 4.17Å; F89-F95 AromaticContact CD1-CE2 3.99Å; F89-F95 HydrophobicContact CD1-CE2 3.99Å; F89-F95 HydrophobicContact CE1-CE2 4.4Å; W91-F95 PolarHBondContact O-N 2.86Å; E92-F95 PolarHBondContact O-N 3.1Å; F95-K97 PolarHBondContact O-N 3.32Å; F95-G98 PolarHBondContact O-N 2.96Å; F95-R131 HydrophobicContact CE1-CG 4.1Å; F95-R131 HydrophobicContact CE2-CB 3.84Å; F95-R131 HydrophobicContact CE2-CG 3.81Å; F95-R131 HydrophobicContact CZ-CB 3.99Å; F95-R131 HydrophobicContact CZ-CG 3.56Å
96	Q	98.4	Very high	98.5	Very high	154 Å²	154	53.7 Å²	53.7	72%	0.72	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.9	179	-72.8	173.3	0.3	0	0	114	E92 H94 G98	E92-Q96 WeakPolarHBondContact O-CB 3.45Å; E92-Q96 VanDerWaalsContact O-CG 3.25Å; E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 3.36Å; H94-Q96 VanDerWaalsContact C-N 3.29Å; H94-Q96 PolarHBondContact O-N 3.45Å; Q96-G98 PolarHBondContact O-N 3.31Å
97	K	98.6	Very high	98.5	Very high	111 Å²	111	54.4 Å²	54.4	48%	0.483	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.9	175.2	-57.7	177.6	-179.6	177	0	112.8	S93 H94 F95 W101	S93-K97 VanDerWaalsContact O-CE 3.26Å; S93-K97 WeakPolarHBondContact O-CE 3.29Å; S93-K97 WeakPolarHBondContact O-CG 3.47Å; H94-K97 WeakPolarHBondContact O-CB 3.47Å; H94-K97 PolarHBondContact O-N 3.19Å; F95-K97 PolarHBondContact O-N 3.32Å; K97-W101 HydrophobicContact CB-CB 3.45Å; K97-W101 VanDerWaalsContact CB-CB 3.45Å; K97-W101 HydrophobicContact CB-CD2 4.11Å; K97-W101 HydrophobicContact CB-CG 3.58Å; K97-W101 HydrophobicContact CD-CB 4.33Å; K97-W101 VanDerWaalsContact CD-CD1 3.45Å; K97-W101 HydrophobicContact CD-CD2 3.73Å; K97-W101 HydrophobicContact CD-CG 3.54Å; K97-W101 HydrophobicContact CG-CG 4.23Å
98	G	98.5	Very high	98.4	Very high	25 Å²	25	57.3 Å²	57.3	26%	0.258	29%	0.291	S	S	.	.	H	α-helix	trans	76.8	176.9	175.3	0	0	0	0	0	114.8	F88 F95 Q96 P100 W101 Y102	F88-G98 WeakPolarHBondContact CE2-O 3.4Å; F95-G98 PolarHBondContact O-N 2.96Å; Q96-G98 PolarHBondContact O-N 3.31Å; G98-P100 VanDerWaalsContact C-CD 3.43Å; G98-W101 PolarHBondContact O-N 3.39Å; G98-Y102 PolarHBondContact O-N 3.26Å
99	L	98.6	Very high	98.3	Very high	75 Å²	75	57.2 Å²	57.2	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-33.7	-178.6	-65.8	177.9	0	0	0	114.7	F88 W101 Y102 L103 M135	F88-L99 HydrophobicContact CE1-CD2 3.88Å; F88-L99 HydrophobicContact CZ-CD2 4.11Å; L99-W101 VanDerWaalsContact C-N 3.28Å; L99-W101 PolarHBondContact O-N 2.93Å; L99-Y102 HydrophobicContact CD2-CD1 4.37Å; L99-Y102 PolarHBondContact O-N 2.82Å; L99-Y102 VanDerWaalsContact O-N 3.09Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 PolarHBondContact O-N 3.17Å; L99-M135 HydrophobicContact CD1-CG 4.48Å; L99-M135 HydrophobicContact CD2-CB 4.47Å; L99-M135 HydrophobicContact CD2-CG 3.9Å; L99-M135 HydrophobicContact CD2-SD 3.96Å
100	P	98.5	Very high	98.2	Very high	100 Å²	100	61.2 Å²	61.2	65%	0.649	31%	0.308	S	S	*	.	H	α-helix	trans	-59.5	-38.8	175.3	-26.8	36.4	0	0	0	112.8	G98 S104	G98-P100 VanDerWaalsContact C-CD 3.43Å; P100-S104 PolarHBondContact O-N 2.88Å; P100-S104 VanDerWaalsContact O-N 3.09Å
101	W	98.5	Very high	98	Very high	46 Å²	46	63.8 Å²	63.8	17%	0.174	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-40.8	173.4	178.9	83.6	0	0	0	111.5	V86 F88 H94 K97 G98 L99 S104 Q105	V86-W101 HydrophobicContact CG1-CH2 4.19Å; V86-W101 HydrophobicContact CG1-CZ3 4.14Å; F88-W101 HydrophobicContact CB-CZ3 4.11Å; F88-W101 AromaticContact CD2-CE3 3.59Å; F88-W101 HydrophobicContact CD2-CE3 3.59Å; F88-W101 AromaticContact CD2-CZ3 3.6Å; F88-W101 HydrophobicContact CD2-CZ3 3.6Å; F88-W101 HydrophobicContact CE2-CE3 4.08Å; F88-W101 HydrophobicContact CG-CZ3 4.27Å; H94-W101 HydrophobicContact CB-CE3 4.3Å; H94-W101 HydrophobicContact CB-CH2 3.74Å; H94-W101 HydrophobicContact CB-CZ2 4.5Å; H94-W101 HydrophobicContact CB-CZ3 3.63Å; H94-W101 AromaticContact CD2-CH2 3.93Å; H94-W101 AromaticContact CE1-CH2 3.77Å; H94-W101 AromaticContact CG-CH2 3.41Å; H94-W101 VanDerWaalsContact CG-CH2 3.41Å; H94-W101 AromaticContact CG-CZ2 3.98Å; H94-W101 AromaticContact CG-CZ3 3.88Å; H94-W101 AromaticContact ND1-CH2 3.32Å; H94-W101 VanDerWaalsContact ND1-CH2 3.32Å; H94-W101 WeakPolarHBondContact ND1-CH2 3.41Å; K97-W101 HydrophobicContact CB-CB 3.45Å; K97-W101 VanDerWaalsContact CB-CB 3.45Å; K97-W101 HydrophobicContact CB-CD2 4.11Å; K97-W101 HydrophobicContact CB-CG 3.58Å; K97-W101 HydrophobicContact CD-CB 4.33Å; K97-W101 VanDerWaalsContact CD-CD1 3.45Å; K97-W101 HydrophobicContact CD-CD2 3.73Å; K97-W101 HydrophobicContact CD-CG 3.54Å; K97-W101 HydrophobicContact CG-CG 4.23Å; G98-W101 PolarHBondContact O-N 3.39Å; L99-W101 VanDerWaalsContact C-N 3.28Å; L99-W101 PolarHBondContact O-N 2.93Å; W101-S104 PolarHBondContact O-N 3.3Å; W101-S104 PolarHBondContact O-OG 3.47Å; W101-Q105 HydrophobicContact CD2-CG 4.36Å; W101-Q105 HydrophobicContact CE3-CG 4.33Å; W101-Q105 HydrophobicContact CH2-CG 3.85Å; W101-Q105 HydrophobicContact CZ2-CG 3.9Å; W101-Q105 HydrophobicContact CZ3-CG 4.07Å; W101-Q105 WeakPolarHBondContact O-CG 3.42Å; W101-Q105 PolarHBondContact O-N 2.99Å
102	Y	98.8	Very high	97.9	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-43.9	177.7	-173.8	-138.3	0	0	0	112.3	L53 P54 V86 F88 F89 G98 L99 S104 Q105 M106 E117 M135	L53-Y102 HydrophobicContact CD2-CD1 3.73Å; L53-Y102 HydrophobicContact CD2-CE1 4.34Å; P54-Y102 HydrophobicContact CG-CE1 3.83Å; P54-Y102 WeakPolarHBondContact CG-OH 3.32Å; V86-Y102 HydrophobicContact CB-CE2 4.13Å; V86-Y102 HydrophobicContact CG1-CD2 3.71Å; V86-Y102 HydrophobicContact CG1-CE2 3.71Å; F88-Y102 HydrophobicContact CB-CD2 3.34Å; F88-Y102 HydrophobicContact CB-CE2 3.53Å; F88-Y102 HydrophobicContact CB-CG 4.03Å; F88-Y102 AromaticContact CD1-CD1 3.6Å; F88-Y102 HydrophobicContact CD1-CD1 3.6Å; F88-Y102 AromaticContact CD1-CD2 3.65Å; F88-Y102 HydrophobicContact CD1-CD2 3.65Å; F88-Y102 HydrophobicContact CD1-CE1 4.01Å; F88-Y102 HydrophobicContact CD1-CE2 4.03Å; F88-Y102 AromaticContact CD1-CG 3.4Å; F88-Y102 HydrophobicContact CD1-CG 3.4Å; F88-Y102 VanDerWaalsContact CD1-CG 3.4Å; F88-Y102 HydrophobicContact CD2-CD2 4.16Å; F88-Y102 HydrophobicContact CD2-CG 4.13Å; F88-Y102 AromaticContact CE1-CD1 3.85Å; F88-Y102 HydrophobicContact CE1-CD1 3.85Å; F88-Y102 HydrophobicContact CE1-CD2 4.49Å; F88-Y102 AromaticContact CE1-CG 3.82Å; F88-Y102 HydrophobicContact CE1-CG 3.82Å; F88-Y102 HydrophobicContact CE2-CG 4.46Å; F88-Y102 HydrophobicContact CG-CD1 4.25Å; F88-Y102 AromaticContact CG-CD2 3.45Å; F88-Y102 HydrophobicContact CG-CD2 3.45Å; F88-Y102 VanDerWaalsContact CG-CD2 3.45Å; F88-Y102 HydrophobicContact CG-CE2 4Å; F88-Y102 AromaticContact CG-CG 3.58Å; F88-Y102 HydrophobicContact CG-CG 3.58Å; F88-Y102 HydrophobicContact CZ-CG 4.33Å; F89-Y102 AromaticContact CE2-CE1 3.77Å; F89-Y102 HydrophobicContact CE2-CE1 3.77Å; F89-Y102 AromaticContact CE2-CZ 3.68Å; F89-Y102 WeakPolarHBondContact CE2-OH 3.5Å; F89-Y102 HydrophobicContact CZ-CD1 4.36Å; F89-Y102 AromaticContact CZ-CE1 3.79Å; F89-Y102 HydrophobicContact CZ-CE1 3.79Å; G98-Y102 PolarHBondContact O-N 3.26Å; L99-Y102 HydrophobicContact CD2-CD1 4.37Å; L99-Y102 PolarHBondContact O-N 2.82Å; L99-Y102 VanDerWaalsContact O-N 3.09Å; Y102-S104 VanDerWaalsContact C-N 3.3Å; Y102-S104 PolarHBondContact O-N 2.94Å; Y102-Q105 WeakPolarHBondContact O-CB 3.41Å; Y102-Q105 PolarHBondContact O-N 3.26Å; Y102-Q105 VanDerWaalsContact O-N 3.12Å; Y102-M106 HydrophobicContact CD2-CE 4.03Å; Y102-M106 HydrophobicContact CE2-CE 3.69Å; Y102-E117 WeakPolarHBondContact OH-CG 3.43Å; Y102-E117 PolarHBondContact OH-OE1 3.14Å; Y102-M135 HydrophobicContact CD1-SD 3.99Å; Y102-M135 HydrophobicContact CE1-CE 4.33Å; Y102-M135 HydrophobicContact CE1-SD 3.71Å
103	L	98.5	Very high	97.8	Very high	57 Å²	57	63.9 Å²	63.9	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-41.9	175	-178.7	63.1	0	0	0	111.5	Q51 Q52 L53 L99 Q105 M106	Q51-L103 HydrophobicContact CB-CD1 3.98Å; Q51-L103 HydrophobicContact CB-CG 4.19Å; Q51-L103 PolarHBondContact NE2-O 3.11Å; Q52-L103 VanDerWaalsContact C-CD1 3.44Å; L53-L103 HydrophobicContact CD2-CB 4.07Å; L53-L103 HydrophobicContact CD2-CD1 4.21Å; L53-L103 HydrophobicContact CG-CD1 4.22Å; L99-L103 WeakPolarHBondContact O-CB 3.45Å; L99-L103 PolarHBondContact O-N 3.17Å; L103-Q105 PolarHBondContact O-N 3.09Å; L103-Q105 VanDerWaalsContact O-N 3.15Å; L103-M106 VanDerWaalsContact O-CB 3.29Å; L103-M106 WeakPolarHBondContact O-CB 3.45Å; L103-M106 PolarHBondContact O-N 3.32Å
104	S	97.7	Very high	97.8	Very high	57 Å²	57	62.6 Å²	62.6	40%	0.399	32%	0.319	S	S	.	.	H	α-helix	trans	-67.1	-14.4	179.9	78.9	0	0	0	0	114	Q51 P100 W101 Y102	Q51-S104 VanDerWaalsContact NE2-C 3.32Å; Q51-S104 PolarHBondContact NE2-O 3.21Å; P100-S104 PolarHBondContact O-N 2.88Å; P100-S104 VanDerWaalsContact O-N 3.09Å; W101-S104 PolarHBondContact O-N 3.3Å; W101-S104 PolarHBondContact O-OG 3.47Å; Y102-S104 VanDerWaalsContact C-N 3.3Å; Y102-S104 PolarHBondContact O-N 2.94Å
105	Q	98.3	Very high	97.8	Very high	84 Å²	84	61 Å²	61	39%	0.393	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-9.5	172.7	-52	-50	-77.5	0	0	113.1	V86 W101 Y102 L103	V86-Q105 HydrophobicContact CG1-CB 3.76Å; V86-Q105 HydrophobicContact CG1-CG 3.83Å; W101-Q105 HydrophobicContact CD2-CG 4.36Å; W101-Q105 HydrophobicContact CE3-CG 4.33Å; W101-Q105 HydrophobicContact CH2-CG 3.85Å; W101-Q105 HydrophobicContact CZ2-CG 3.9Å; W101-Q105 HydrophobicContact CZ3-CG 4.07Å; W101-Q105 WeakPolarHBondContact O-CG 3.42Å; W101-Q105 PolarHBondContact O-N 2.99Å; Y102-Q105 WeakPolarHBondContact O-CB 3.41Å; Y102-Q105 PolarHBondContact O-N 3.26Å; Y102-Q105 VanDerWaalsContact O-N 3.12Å; L103-Q105 PolarHBondContact O-N 3.09Å; L103-Q105 VanDerWaalsContact O-N 3.15Å
106	M	98.4	Very high	97.8	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.025	30%	0.3	C	S	.	.	S	Bend	trans	-79.4	149.4	-178	-63	-62.4	110.2	0	0	111	Q51 Q52 P54 A82 V86 Y102 L103 T115 E117	Q51-M106 PolarHBondContact NE2-O 2.88Å; Q52-M106 WeakPolarHBondContact O-CB 3.47Å; Q52-M106 VanDerWaalsContact O-CG 3.23Å; Q52-M106 WeakPolarHBondContact O-CG 3.42Å; P54-M106 HydrophobicContact CB-SD 4.26Å; P54-M106 HydrophobicContact CG-SD 4.09Å; A82-M106 HydrophobicContact CB-CE 4.44Å; V86-M106 HydrophobicContact CG1-CE 4.47Å; V86-M106 HydrophobicContact CG2-CE 3.87Å; Y102-M106 HydrophobicContact CD2-CE 4.03Å; Y102-M106 HydrophobicContact CE2-CE 3.69Å; L103-M106 VanDerWaalsContact O-CB 3.29Å; L103-M106 WeakPolarHBondContact O-CB 3.45Å; L103-M106 PolarHBondContact O-N 3.32Å; M106-T115 HydrophobicContact CB-CG2 4.26Å; M106-T115 HydrophobicContact CG-CG2 4.34Å; M106-T115 HydrophobicContact SD-CG2 3.73Å; M106-E117 HydrophobicContact CE-CB 4.33Å
107	P	97.5	Very high	97.8	Very high	28 Å²	28	51 Å²	51	18%	0.182	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66.5	158.8	171.8	32.3	-36.4	0	0	0	110.4	V80 T115	V80-P107 HydrophobicContact CB-CG 4.19Å; V80-P107 HydrophobicContact CG1-CB 3.62Å; V80-P107 HydrophobicContact CG1-CG 3.53Å; P107-T115 HydrophobicContact CG-CG2 4.13Å
108	Y	97.1	Very high	97.9	Very high	90 Å²	90	45.8 Å²	45.8	35%	0.353	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.5	165.4	-76.9	-102.3	0	0	0	108.9	H45 Q51	H45-Y108 HydrophobicContact CB-CD1 3.88Å; H45-Y108 HydrophobicContact CB-CD2 4.31Å; H45-Y108 HydrophobicContact CB-CE1 4.18Å; H45-Y108 HydrophobicContact CB-CG 3.94Å; H45-Y108 AromaticContact CD2-CD2 3.56Å; H45-Y108 AromaticContact CD2-CE1 3.69Å; H45-Y108 AromaticContact CD2-CE2 3.13Å; H45-Y108 WeakPolarHBondContact CD2-CE2 3.38Å; H45-Y108 AromaticContact CD2-CZ 3.18Å; H45-Y108 AromaticContact CE1-CD2 3.43Å; H45-Y108 VanDerWaalsContact CE1-CD2 3.43Å; H45-Y108 WeakPolarHBondContact CE1-CD2 3.25Å; H45-Y108 AromaticContact CE1-CE2 3.44Å; H45-Y108 VanDerWaalsContact CE1-CE2 3.44Å; H45-Y108 WeakPolarHBondContact CE1-CE2 3.1Å; H45-Y108 AromaticContact CG-CD1 3.88Å; H45-Y108 AromaticContact CG-CD2 3.5Å; H45-Y108 VanDerWaalsContact CG-CD2 3.5Å; H45-Y108 AromaticContact CG-CE1 3.97Å; H45-Y108 AromaticContact CG-CE2 3.62Å; H45-Y108 AromaticContact CG-CG 3.63Å; H45-Y108 AromaticContact CG-CZ 3.83Å; H45-Y108 AromaticContact ND1-CD2 3.42Å; H45-Y108 WeakPolarHBondContact ND1-CD2 3.4Å; H45-Y108 AromaticContact ND1-CE2 3.79Å; H45-Y108 AromaticContact ND1-CG 3.84Å; H45-Y108 AromaticContact NE2-CD2 3.51Å; H45-Y108 AromaticContact NE2-CE2 3Å; H45-Y108 WeakPolarHBondContact NE2-CE2 3.42Å; H45-Y108 AromaticContact NE2-CZ 3.53Å; Q51-Y108 HydrophobicContact CG-CD1 4.3Å; Q51-Y108 HydrophobicContact CG-CD2 3.83Å; Q51-Y108 HydrophobicContact CG-CE1 4.17Å; Q51-Y108 HydrophobicContact CG-CE2 3.67Å; Q51-Y108 HydrophobicContact CG-CG 4.14Å
109	A	96.8	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.4	-178.1	0	0	0	0	0	110.1	T49 L50 V80 Q113	T49-A109 WeakPolarHBondContact CA-O 3.3Å; L50-A109 PolarHBondContact N-O 3.31Å; L50-A109 PolarHBondContact O-N 2.95Å; L50-A109 VanDerWaalsContact O-O 3.13Å; V80-A109 HydrophobicContact CB-CB 4.15Å; V80-A109 HydrophobicContact CG2-CB 3.86Å; A109-Q113 HydrophobicContact CB-CB 4.22Å
110	F	97.2	Very high	97.9	Very high	84 Å²	84	41.4 Å²	41.4	37%	0.368	21%	0.214	S	C	.	.			trans	-68.3	153.6	168.5	-68.5	-74.8	0	0	0	110.5	T49 Q52 E112 Q113	T49-F110 HydrophobicContact CG2-CD1 3.81Å; T49-F110 HydrophobicContact CG2-CD2 4.07Å; T49-F110 HydrophobicContact CG2-CE1 3.62Å; T49-F110 HydrophobicContact CG2-CE2 3.89Å; T49-F110 HydrophobicContact CG2-CG 4.04Å; T49-F110 HydrophobicContact CG2-CZ 3.66Å; Q52-F110 PolarHBondContact NE2-O 2.95Å; Q52-F110 VanDerWaalsContact NE2-O 3.1Å; F110-E112 PolarHBondContact O-N 2.97Å; F110-Q113 HydrophobicContact CB-CG 4.19Å; F110-Q113 PolarHBondContact O-N 3.36Å
111	P	94.8	Very high	97.9	Very high	74 Å²	74	38 Å²	38	48%	0.481	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.7	-177.2	-26.8	33.8	0	0	0	115	L50	L50-P111 HydrophobicContact CD2-CG 4.06Å
112	E	94.7	Very high	97.9	Very high	151 Å²	151	35.8 Å²	35.8	71%	0.706	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.8	-176	-54.6	70.1	-155.1	0	0	112.8	F110	F110-E112 PolarHBondContact O-N 2.97Å
113	Q	97.7	Very high	97.9	Very high	39 Å²	39	35.9 Å²	35.9	18%	0.182	19%	0.187	C	C	.	.	S	Bend	trans	-89.2	143.6	-178.7	-64.5	-179.3	-58.4	0	0	111.7	S77 A78 V80 A109 F110	S77-Q113 PolarHBondContact O-NE2 3.13Å; A78-Q113 CarbonylContact O-C 3.53Å; A78-Q113 WeakPolarHBondContact O-CA 3.45Å; V80-Q113 HydrophobicContact CG2-CB 3.99Å; V80-Q113 VanDerWaalsContact CG2-CD 3.44Å; V80-Q113 HydrophobicContact CG2-CG 4.29Å; V80-Q113 VanDerWaalsContact CG2-OE1 3.3Å; A109-Q113 HydrophobicContact CB-CB 4.22Å; F110-Q113 HydrophobicContact CB-CG 4.19Å; F110-Q113 PolarHBondContact O-N 3.36Å
114	L	98.3	Very high	97.9	Very high	44 Å²	44	34.7 Å²	34.7	23%	0.23	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	130	172.6	-55.9	-179.4	0	0	0	110.2	Q55 I56 A78 V79 V80 L236	Q55-L114 HydrophobicContact CB-CD2 4.11Å; Q55-L114 HydrophobicContact CG-CD2 4.14Å; I56-L114 HydrophobicContact CD1-CB 3.95Å; I56-L114 HydrophobicContact CD1-CD1 3.89Å; A78-L114 PolarHBondContact O-N 2.95Å; V79-L114 CarbonylContact C-O 3.44Å; V79-L114 WeakPolarHBondContact CA-O 3.47Å; V80-L114 PolarHBondContact N-O 3.29Å; L114-L236 HydrophobicContact CD1-CD2 3.88Å; L114-L236 HydrophobicContact CD1-CG 4.49Å
115	T	98.6	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.7	172.1	-64.4	0	0	0	0	109.9	P54 Q55 I56 V80 M106 P107	P54-T115 WeakPolarHBondContact CA-O 3.13Å; P54-T115 HydrophobicContact CB-CG2 4.3Å; Q55-T115 PolarHBondContact N-O 3.38Å; Q55-T115 VanDerWaalsContact N-O 3.08Å; I56-T115 PolarHBondContact N-O 3.2Å; V80-T115 WeakPolarHBondContact O-CA 3.07Å; M106-T115 HydrophobicContact CB-CG2 4.26Å; M106-T115 HydrophobicContact CG-CG2 4.34Å; M106-T115 HydrophobicContact SD-CG2 3.73Å; P107-T115 HydrophobicContact CG-CG2 4.13Å
116	V	98.9	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	136.3	176.5	62.1	0	0	0	0	111.5	I56 I58 I70 L73 V79 V80 A81 A82	I56-V116 HydrophobicContact CB-CB 3.96Å; I56-V116 HydrophobicContact CB-CG2 3.84Å; I56-V116 HydrophobicContact CG2-CB 4.32Å; I56-V116 HydrophobicContact CG2-CG2 3.7Å; I56-V116 WeakPolarHBondContact O-CA 3.46Å; I58-V116 HydrophobicContact CD1-CG2 4.07Å; I58-V116 HydrophobicContact CG1-CG2 4.19Å; I70-V116 HydrophobicContact CD1-CG1 4.27Å; I70-V116 HydrophobicContact CG1-CG1 4.13Å; L73-V116 HydrophobicContact CD2-CG1 4.42Å; L73-V116 HydrophobicContact CD2-CG2 4.3Å; V79-V116 HydrophobicContact CG1-CB 4.26Å; V79-V116 HydrophobicContact CG1-CG1 3.51Å; V80-V116 PolarHBondContact O-N 3.18Å; A81-V116 WeakPolarHBondContact CA-O 3.27Å; A81-V116 HydrophobicContact CB-CG1 3.79Å; A82-V116 PolarHBondContact N-O 3.36Å
117	E	98.8	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	165.6	166.6	80.4	111	128.5	0	0	111.5	P54 I56 I57 I58 A82 V86 Y102 M106 T119 Y122	P54-E117 HydrophobicContact CB-CG 4.47Å; P54-E117 HydrophobicContact CG-CG 4.27Å; I56-E117 PolarHBondContact O-N 2.68Å; I57-E117 HydrophobicContact CG1-CG 4.07Å; I57-E117 HydrophobicContact CG2-CG 4.11Å; I58-E117 PolarHBondContact N-O 2.99Å; A82-E117 HydrophobicContact CB-CB 4.05Å; V86-E117 HydrophobicContact CG2-CB 4.3Å; Y102-E117 WeakPolarHBondContact OH-CG 3.43Å; Y102-E117 PolarHBondContact OH-OE1 3.14Å; M106-E117 HydrophobicContact CE-CB 4.33Å; E117-T119 WeakPolarHBondContact OE2-CB 3.41Å; E117-T119 PolarHBondContact OE2-N 3.14Å; E117-T119 PolarHBondContact OE2-OG1 3.23Å; E117-Y122 WeakPolarHBondContact OE1-CE2 3.38Å; E117-Y122 VanDerWaalsContact OE1-CZ 3.31Å; E117-Y122 PolarHBondContact OE1-OH 2.68Å
118	K	98.8	Very high	98.1	Very high	3 Å²	3	35 Å²	35	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	111.5	179.6	176.3	-150.2	80.9	71	0	111.6	I58 T66 I70 E85 P120	I58-K118 HydrophobicContact CB-CB 3.87Å; I58-K118 HydrophobicContact CB-CG 3.81Å; I58-K118 HydrophobicContact CD1-CB 4.22Å; I58-K118 HydrophobicContact CD1-CG 4.41Å; I58-K118 HydrophobicContact CG2-CB 4.43Å; I58-K118 HydrophobicContact CG2-CG 3.81Å; I58-K118 WeakPolarHBondContact O-CA 3.23Å; T66-K118 WeakPolarHBondContact O-CD 3.47Å; T66-K118 PolarHBondContact OG1-NZ 3.37Å; I70-K118 HydrophobicContact CB-CB 4.42Å; I70-K118 HydrophobicContact CB-CD 4.16Å; I70-K118 HydrophobicContact CD1-CB 3.71Å; I70-K118 HydrophobicContact CG2-CD 3.82Å; E85-K118 WeakPolarHBondContact CG-O 3.38Å; E85-K118 IonicContact OE1-NZ 2.9Å; E85-K118 PolarHBondContact OE1-NZ 2.92Å; K118-P120 VanDerWaalsContact NZ-CG 3.32Å
119	T	98.9	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.			trans	-129	101	172.6	-57.6	0	0	0	0	110.1	I58 V86 H87 E117 A121 Y122	I58-T119 PolarHBondContact O-N 3.43Å; V86-T119 PolarHBondContact N-OG1 2.98Å; H87-T119 HydrophobicContact CB-CG2 4.48Å; H87-T119 PolarHBondContact N-OG1 3.06Å; H87-T119 WeakPolarHBondContact ND1-CG2 3.39Å; E117-T119 WeakPolarHBondContact OE2-CB 3.41Å; E117-T119 PolarHBondContact OE2-N 3.14Å; E117-T119 PolarHBondContact OE2-OG1 3.23Å; T119-A121 HydrophobicContact CG2-CB 4.39Å; T119-A121 PolarHBondContact O-N 2.81Å; T119-Y122 VanDerWaalsContact CB-CE1 3.48Å; T119-Y122 HydrophobicContact CG2-CD1 3.59Å; T119-Y122 HydrophobicContact CG2-CE1 3.35Å; T119-Y122 HydrophobicContact CG2-CE2 4.33Å; T119-Y122 HydrophobicContact CG2-CG 4.18Å; T119-Y122 WeakPolarHBondContact O-CB 3.46Å; T119-Y122 PolarHBondContact O-N 2.95Å; T119-Y122 VanDerWaalsContact O-N 3.11Å; T119-Y122 PolarHBondContact OG1-OH 3.29Å
120	P	98.9	Very high	98.3	Very high	7 Å²	7	35.9 Å²	35.9	5%	0.045	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.6	-169.8	-20.9	34.2	0	0	0	115.4	I59 R62 T66 E85 K118 Y122	I59-P120 CarbonylContact O-C 3.5Å; R62-P120 HydrophobicContact CB-CB 4.15Å; R62-P120 PolarHBondContact N-O 3Å; T66-P120 HydrophobicContact CG2-CB 4.12Å; T66-P120 HydrophobicContact CG2-CG 4.04Å; T66-P120 VanDerWaalsContact OG1-CG 3.28Å; T66-P120 WeakPolarHBondContact OG1-CG 3.25Å; E85-P120 VanDerWaalsContact CD-CD 3.42Å; E85-P120 VanDerWaalsContact OE2-CD 3.3Å; E85-P120 WeakPolarHBondContact OE2-CD 3.4Å; K118-P120 VanDerWaalsContact NZ-CG 3.32Å; P120-Y122 VanDerWaalsContact C-N 3.29Å
121	A	98.8	Very high	98.4	Very high	29 Å²	29	33.5 Å²	33.5	24%	0.24	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22	177.3	0	0	0	0	0	112.6	D90 T119 F123 T124 S125	D90-A121 WeakPolarHBondContact OD2-CB 3.23Å; T119-A121 HydrophobicContact CG2-CB 4.39Å; T119-A121 PolarHBondContact O-N 2.81Å; A121-F123 PolarHBondContact O-N 2.87Å; A121-T124 PolarHBondContact O-N 2.91Å; A121-T124 PolarHBondContact O-OG1 3.09Å; A121-S125 PolarHBondContact O-N 3.02Å
122	Y	98.9	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-56.8	-47.5	-177.8	-70.5	-7.7	0	0	0	112	I57 I59 F88 F89 D90 E117 T119 P120 T124 S125 V128 I132 W202	I57-Y122 HydrophobicContact CG2-CD2 3.81Å; I57-Y122 HydrophobicContact CG2-CE2 3.89Å; I59-Y122 HydrophobicContact CG2-CD2 4.48Å; I59-Y122 WeakPolarHBondContact O-CB 3.29Å; F88-Y122 PolarHBondContact N-OH 3.05Å; F88-Y122 VanDerWaalsContact N-OH 3.09Å; F89-Y122 HydrophobicContact CB-CD1 4.38Å; F89-Y122 HydrophobicContact CB-CE1 3.96Å; F89-Y122 HydrophobicContact CD2-CE1 4.31Å; F89-Y122 AromaticContact CD2-CE2 3.77Å; F89-Y122 HydrophobicContact CD2-CE2 3.77Å; F89-Y122 AromaticContact CD2-CZ 3.67Å; D90-Y122 HydrophobicContact CB-CD1 4.1Å; D90-Y122 HydrophobicContact CB-CE1 4.3Å; D90-Y122 WeakPolarHBondContact OD1-CE1 3.4Å; E117-Y122 WeakPolarHBondContact OE1-CE2 3.38Å; E117-Y122 VanDerWaalsContact OE1-CZ 3.31Å; E117-Y122 PolarHBondContact OE1-OH 2.68Å; T119-Y122 VanDerWaalsContact CB-CE1 3.48Å; T119-Y122 HydrophobicContact CG2-CD1 3.59Å; T119-Y122 HydrophobicContact CG2-CE1 3.35Å; T119-Y122 HydrophobicContact CG2-CE2 4.33Å; T119-Y122 HydrophobicContact CG2-CG 4.18Å; T119-Y122 WeakPolarHBondContact O-CB 3.46Å; T119-Y122 PolarHBondContact O-N 2.95Å; T119-Y122 VanDerWaalsContact O-N 3.11Å; T119-Y122 PolarHBondContact OG1-OH 3.29Å; P120-Y122 VanDerWaalsContact C-N 3.29Å; Y122-T124 PolarHBondContact O-N 3.23Å; Y122-T124 VanDerWaalsContact O-N 3.12Å; Y122-S125 PolarHBondContact O-N 2.94Å; Y122-V128 HydrophobicContact CD1-CG1 4.06Å; Y122-V128 HydrophobicContact CD1-CG2 4.17Å; Y122-V128 HydrophobicContact CD2-CG1 4.37Å; Y122-V128 HydrophobicContact CG-CG1 3.8Å; Y122-I132 HydrophobicContact CD2-CD1 4.2Å; Y122-W202 WeakPolarHBondContact O-CZ2 3.05Å
123	F	98.9	Very high	98.8	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-40.9	-175.2	-179.4	-117.5	0	0	0	112.5	I59 V61 A121 L143 L145 Y195 H198 M199 W202	I59-F123 HydrophobicContact CD1-CD2 4.07Å; I59-F123 VanDerWaalsContact O-CB 3.3Å; I59-F123 WeakPolarHBondContact O-CB 3.41Å; I59-F123 PolarHBondContact O-N 3.41Å; V61-F123 HydrophobicContact CB-CD1 4.04Å; V61-F123 HydrophobicContact CG2-CD1 3.84Å; V61-F123 HydrophobicContact CG2-CE1 4.44Å; A121-F123 PolarHBondContact O-N 2.87Å; F123-L143 HydrophobicContact CB-CD1 4.27Å; F123-L143 HydrophobicContact CD1-CD1 4.06Å; F123-L143 HydrophobicContact CD2-CD1 3.54Å; F123-L143 HydrophobicContact CD2-CD2 4.01Å; F123-L143 HydrophobicContact CD2-CG 4.42Å; F123-L143 HydrophobicContact CE1-CD1 4.26Å; F123-L143 HydrophobicContact CE2-CD1 3.8Å; F123-L143 HydrophobicContact CE2-CD2 3.45Å; F123-L143 VanDerWaalsContact CE2-CD2 3.45Å; F123-L143 HydrophobicContact CE2-CG 4.28Å; F123-L143 HydrophobicContact CG-CD1 3.68Å; F123-L143 HydrophobicContact CZ-CD1 4.14Å; F123-L143 HydrophobicContact CZ-CD2 3.81Å; F123-L145 HydrophobicContact CE1-CD2 4.38Å; F123-Y195 HydrophobicContact CE1-CD1 4.11Å; F123-H198 HydrophobicContact CD1-CB 4Å; F123-H198 HydrophobicContact CD2-CB 4.38Å; F123-H198 HydrophobicContact CE1-CB 3.56Å; F123-H198 HydrophobicContact CE2-CB 3.96Å; F123-H198 HydrophobicContact CG-CB 4.4Å; F123-H198 HydrophobicContact CZ-CB 3.54Å; F123-M199 HydrophobicContact CE2-CB 4.48Å; F123-M199 HydrophobicContact CE2-SD 4.38Å; F123-M199 HydrophobicContact CZ-CB 4.43Å; F123-W202 AromaticContact CD2-CD1 3.68Å; F123-W202 AromaticContact CD2-NE1 3.48Å; F123-W202 AromaticContact CE2-CD1 3.89Å; F123-W202 PolarHBondContact O-NE1 3.07Å
124	T	98.8	Very high	98.8	Very high	33 Å²	33	32.1 Å²	32.1	20%	0.202	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	13.2	-174.5	58.1	0	0	0	0	114	V61 A121 Y122 R192	V61-T124 HydrophobicContact CG2-CG2 4.29Å; A121-T124 PolarHBondContact O-N 2.91Å; A121-T124 PolarHBondContact O-OG1 3.09Å; Y122-T124 PolarHBondContact O-N 3.23Å; Y122-T124 VanDerWaalsContact O-N 3.12Å; T124-R192 HydrophobicContact CG2-CB 4.03Å; T124-R192 HydrophobicContact CG2-CG 3.98Å
125	S	98.8	Very high	98.8	Very high	22 Å²	22	31.7 Å²	31.7	15%	0.154	16%	0.164	C	C	.	.			trans	-107.8	116.2	-178.3	-177.7	0	0	0	0	110.4	A121 Y122 K127 V128 P129	A121-S125 PolarHBondContact O-N 3.02Å; Y122-S125 PolarHBondContact O-N 2.94Å; S125-K127 VanDerWaalsContact C-N 3.25Å; S125-K127 PolarHBondContact O-N 3.34Å; S125-V128 VanDerWaalsContact CB-CG2 3.48Å; S125-V128 PolarHBondContact O-N 2.76Å; S125-V128 WeakPolarHBondContact OG-CG2 3.37Å; S125-P129 WeakPolarHBondContact O-CD 3.37Å
126	A	98.6	Very high	98.8	Very high	80 Å²	80	34.1 Å²	34.1	66%	0.661	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.7	-173	0	0	0	0	0	113.8	N201	A126-N201 WeakPolarHBondContact CA-ND2 3.39Å; A126-N201 PolarHBondContact O-ND2 3.4Å
127	K	98.6	Very high	98.8	Very high	78 Å²	78	36.7 Å²	36.7	34%	0.339	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.4	-176.7	66.2	-165.8	177.7	-175.9	0	114.9	D90 E92 S125 R131	D90-K127 WeakPolarHBondContact O-CE 3.05Å; D90-K127 PolarHBondContact O-NZ 2.98Å; E92-K127 WeakPolarHBondContact OE1-CD 3.26Å; E92-K127 VanDerWaalsContact OE1-CE 3.26Å; E92-K127 WeakPolarHBondContact OE1-CE 3.43Å; E92-K127 IonicContact OE1-NZ 3.04Å; E92-K127 PolarHBondContact OE1-NZ 2.98Å; S125-K127 VanDerWaalsContact C-N 3.25Å; S125-K127 PolarHBondContact O-N 3.34Å; K127-R131 WeakPolarHBondContact O-CG 3.39Å
128	V	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-71.9	-43.2	-168.3	170.1	0	0	0	0	113.7	F89 D90 Y122 S125 K130 R131 I132 W202	F89-V128 HydrophobicContact CB-CB 4.32Å; F89-V128 HydrophobicContact CB-CG1 3.79Å; F89-V128 HydrophobicContact CB-CG2 3.89Å; F89-V128 WeakPolarHBondContact O-CG2 3.3Å; D90-V128 HydrophobicContact CB-CG2 3.95Å; Y122-V128 HydrophobicContact CD1-CG1 4.06Å; Y122-V128 HydrophobicContact CD1-CG2 4.17Å; Y122-V128 HydrophobicContact CD2-CG1 4.37Å; Y122-V128 HydrophobicContact CG-CG1 3.8Å; S125-V128 VanDerWaalsContact CB-CG2 3.48Å; S125-V128 PolarHBondContact O-N 2.76Å; S125-V128 WeakPolarHBondContact OG-CG2 3.37Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K130 PolarHBondContact O-N 3.46Å; V128-R131 PolarHBondContact O-N 2.71Å; V128-R131 VanDerWaalsContact O-N 3.08Å; V128-I132 HydrophobicContact CG1-CD1 3.47Å; V128-I132 VanDerWaalsContact CG1-CD1 3.47Å; V128-I132 HydrophobicContact CG1-CG1 3.99Å; V128-I132 PolarHBondContact O-N 3.39Å; V128-W202 HydrophobicContact CG1-CH2 3.95Å; V128-W202 HydrophobicContact CG1-CZ2 4.12Å
129	P	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.1	-47.1	-177.8	-29.9	38.5	0	0	0	113.1	S125 R131 I132 Y133 N201 W202 Y205 F206	S125-P129 WeakPolarHBondContact O-CD 3.37Å; P129-R131 VanDerWaalsContact C-N 3.33Å; P129-R131 PolarHBondContact O-N 3.25Å; P129-I132 PolarHBondContact O-N 2.77Å; P129-Y133 WeakPolarHBondContact O-CB 3.24Å; P129-Y133 PolarHBondContact O-N 3.07Å; P129-N201 WeakPolarHBondContact CG-ND2 3.49Å; P129-W202 HydrophobicContact CB-CD2 4.18Å; P129-W202 HydrophobicContact CB-CE3 4.15Å; P129-W202 HydrophobicContact CG-CD2 3.65Å; P129-W202 HydrophobicContact CG-CE3 4.08Å; P129-W202 HydrophobicContact CG-CG 3.92Å; P129-W202 HydrophobicContact CG-CZ2 4.13Å; P129-Y205 HydrophobicContact CB-CD2 3.6Å; P129-Y205 HydrophobicContact CB-CE2 4.17Å; P129-Y205 HydrophobicContact CB-CG 4.27Å; P129-F206 WeakPolarHBondContact O-CE2 3.36Å
130	K	98.9	Very high	98.7	Very high	108 Å²	108	46.2 Å²	46.2	47%	0.47	24%	0.242	S	C	.	.	H	α-helix	trans	-56.8	-44.9	176.2	-173.1	172.1	-179.5	175	0	112.5	V128 Y133 Q134 Y205	V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K130 PolarHBondContact O-N 3.46Å; K130-Y133 PolarHBondContact O-N 3.45Å; K130-Q134 VanDerWaalsContact O-CG 3.29Å; K130-Q134 WeakPolarHBondContact O-CG 3.48Å; K130-Q134 PolarHBondContact O-N 3.4Å; K130-Y205 HydrophobicContact CB-CD1 4.26Å; K130-Y205 HydrophobicContact CB-CE1 3.58Å; K130-Y205 HydrophobicContact CB-CE2 4.2Å; K130-Y205 HydrophobicContact CD-CE1 4.22Å; K130-Y205 HydrophobicContact CG-CD1 4.48Å; K130-Y205 HydrophobicContact CG-CE1 3.65Å
131	R	98.9	Very high	98.7	Very high	35 Å²	35	45.9 Å²	45.9	13%	0.132	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-40.5	-177.7	-67.9	175.4	168	179.4	-5.2	112.2	F89 E92 F95 K127 V128 P129 Q134 M135	F89-R131 HydrophobicContact CD1-CB 3.65Å; F89-R131 HydrophobicContact CE1-CB 4.32Å; F89-R131 HydrophobicContact CG-CB 4.48Å; F89-R131 WeakPolarHBondContact O-CD 3.43Å; F89-R131 PolarHBondContact O-NH1 2.92Å; E92-R131 IonicContact OE1-CZ 3.14Å; E92-R131 VanDerWaalsContact OE1-CZ 3.28Å; E92-R131 IonicContact OE1-NH1 3.28Å; E92-R131 PolarHBondContact OE1-NH1 2.87Å; E92-R131 IonicContact OE1-NH2 2.8Å; E92-R131 PolarHBondContact OE1-NH2 3.15Å; E92-R131 IonicContact OE2-CZ 2.97Å; E92-R131 IonicContact OE2-NH1 3.72Å; E92-R131 IonicContact OE2-NH2 2.72Å; E92-R131 PolarHBondContact OE2-NH2 2.98Å; F95-R131 HydrophobicContact CE1-CG 4.1Å; F95-R131 HydrophobicContact CE2-CB 3.84Å; F95-R131 HydrophobicContact CE2-CG 3.81Å; F95-R131 HydrophobicContact CZ-CB 3.99Å; F95-R131 HydrophobicContact CZ-CG 3.56Å; K127-R131 WeakPolarHBondContact O-CG 3.39Å; V128-R131 PolarHBondContact O-N 2.71Å; V128-R131 VanDerWaalsContact O-N 3.08Å; P129-R131 VanDerWaalsContact C-N 3.33Å; P129-R131 PolarHBondContact O-N 3.25Å; R131-Q134 PolarHBondContact O-N 3.04Å; R131-M135 PolarHBondContact O-N 3.13Å
132	I	98.9	Very high	98.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-41.8	175.4	-65.1	176.3	0	0	0	110	I57 F89 Y122 V128 P129 Q134 M135 N136 I139 L141 W202 F206	I57-I132 HydrophobicContact CD1-CD1 4.07Å; I57-I132 HydrophobicContact CD1-CG1 4.39Å; I57-I132 HydrophobicContact CD1-CG2 4.06Å; F89-I132 HydrophobicContact CB-CG1 4.39Å; F89-I132 HydrophobicContact CD1-CG1 3.96Å; F89-I132 HydrophobicContact CD2-CD1 3.9Å; F89-I132 HydrophobicContact CD2-CG1 3.49Å; F89-I132 VanDerWaalsContact CD2-CG1 3.49Å; F89-I132 HydrophobicContact CE1-CG1 4.01Å; F89-I132 HydrophobicContact CE2-CD1 4.2Å; F89-I132 HydrophobicContact CE2-CG1 3.58Å; F89-I132 HydrophobicContact CG-CD1 4.35Å; F89-I132 HydrophobicContact CG-CG1 3.68Å; F89-I132 HydrophobicContact CZ-CG1 3.83Å; Y122-I132 HydrophobicContact CD2-CD1 4.2Å; V128-I132 HydrophobicContact CG1-CD1 3.47Å; V128-I132 VanDerWaalsContact CG1-CD1 3.47Å; V128-I132 HydrophobicContact CG1-CG1 3.99Å; V128-I132 PolarHBondContact O-N 3.39Å; P129-I132 PolarHBondContact O-N 2.77Å; I132-Q134 VanDerWaalsContact C-N 3.3Å; I132-Q134 PolarHBondContact O-N 3.32Å; I132-M135 WeakPolarHBondContact O-CB 3.45Å; I132-M135 PolarHBondContact O-N 3.18Å; I132-N136 PolarHBondContact O-N 3.17Å; I132-I139 HydrophobicContact CG2-CD1 4.35Å; I132-I139 HydrophobicContact CG2-CG2 3.83Å; I132-L141 HydrophobicContact CG2-CD2 4.47Å; I132-W202 HydrophobicContact CD1-CH2 3.63Å; I132-W202 HydrophobicContact CD1-CZ3 3.97Å; I132-F206 HydrophobicContact CB-CE2 4.37Å; I132-F206 HydrophobicContact CB-CZ 4.11Å; I132-F206 HydrophobicContact CG2-CE2 4.34Å; I132-F206 HydrophobicContact CG2-CZ 3.75Å
133	Y	98.9	Very high	98.7	Very high	104 Å²	104	44.5 Å²	44.5	41%	0.408	23%	0.228	S	C	.	.	H	α-helix	trans	-60.2	-41.1	178.2	-177.8	-91.9	0	0	0	111.9	P129 K130 M135 N136 P137 Y205 F206	P129-Y133 WeakPolarHBondContact O-CB 3.24Å; P129-Y133 PolarHBondContact O-N 3.07Å; K130-Y133 PolarHBondContact O-N 3.45Å; Y133-M135 VanDerWaalsContact C-N 3.26Å; Y133-M135 PolarHBondContact O-N 3.12Å; Y133-N136 CarbonylContact O-C 3.55Å; Y133-N136 PolarHBondContact O-N 3.34Å; Y133-P137 HydrophobicContact CD2-CB 3.79Å; Y133-P137 HydrophobicContact CE1-CB 4.4Å; Y133-P137 HydrophobicContact CE2-CB 3.45Å; Y133-P137 VanDerWaalsContact CE2-CB 3.45Å; Y133-P137 HydrophobicContact CG-CB 4.41Å; Y133-P137 WeakPolarHBondContact O-CD 3.27Å; Y133-Y205 HydrophobicContact CD1-CD1 4.35Å; Y133-Y205 WeakPolarHBondContact CD2-O 3.43Å; Y133-Y205 WeakPolarHBondContact CE2-O 3.38Å; Y133-Y205 HydrophobicContact CG-CD1 4.15Å; Y133-F206 HydrophobicContact CD2-CD1 4.37Å; Y133-F206 HydrophobicContact CD2-CE1 4.03Å; Y133-F206 HydrophobicContact CD2-CZ 4.24Å
134	Q	98.7	Very high	98.7	Very high	130 Å²	130	44.5 Å²	44.5	61%	0.607	23%	0.228	S	C	*	.	H	α-helix	trans	-63.4	-29.3	174.7	-74.8	174.2	-34.3	0	0	113.4	K130 R131 I132	K130-Q134 VanDerWaalsContact O-CG 3.29Å; K130-Q134 WeakPolarHBondContact O-CG 3.48Å; K130-Q134 PolarHBondContact O-N 3.4Å; R131-Q134 PolarHBondContact O-N 3.04Å; I132-Q134 VanDerWaalsContact C-N 3.3Å; I132-Q134 PolarHBondContact O-N 3.32Å
135	M	98.6	Very high	98.7	Very high	36 Å²	36	43 Å²	43	18%	0.177	22%	0.219	C	C	.	.	H	α-helix	trans	-77.2	-50.3	174.7	-179	-170.6	71.4	0	0	111.2	L53 I57 F89 L99 Y102 R131 I132 Y133 I139	L53-M135 HydrophobicContact CD1-CG 4.33Å; L53-M135 HydrophobicContact CD1-SD 4.23Å; L53-M135 HydrophobicContact CD2-SD 4.44Å; I57-M135 HydrophobicContact CD1-CE 4.36Å; F89-M135 HydrophobicContact CZ-CB 4.47Å; F89-M135 HydrophobicContact CZ-CE 3.97Å; F89-M135 HydrophobicContact CZ-SD 3.73Å; L99-M135 HydrophobicContact CD1-CG 4.48Å; L99-M135 HydrophobicContact CD2-CB 4.47Å; L99-M135 HydrophobicContact CD2-CG 3.9Å; L99-M135 HydrophobicContact CD2-SD 3.96Å; Y102-M135 HydrophobicContact CD1-SD 3.99Å; Y102-M135 HydrophobicContact CE1-CE 4.33Å; Y102-M135 HydrophobicContact CE1-SD 3.71Å; R131-M135 PolarHBondContact O-N 3.13Å; I132-M135 WeakPolarHBondContact O-CB 3.45Å; I132-M135 PolarHBondContact O-N 3.18Å; Y133-M135 VanDerWaalsContact C-N 3.26Å; Y133-M135 PolarHBondContact O-N 3.12Å; M135-I139 HydrophobicContact CE-CD1 3.64Å
136	N	98.5	Very high	98.7	Very high	50 Å²	50	43.4 Å²	43.4	27%	0.267	22%	0.217	S	C	.	.			trans	-155.9	105.6	-179	-178.5	1.6	0	0	0	110.5	I132 Y133 N138 I139	I132-N136 PolarHBondContact O-N 3.17Å; Y133-N136 CarbonylContact O-C 3.55Å; Y133-N136 PolarHBondContact O-N 3.34Å; N136-N138 PolarHBondContact O-N 3.29Å; N136-N138 WeakPolarHBondContact OD1-CA 3.46Å; N136-N138 PolarHBondContact OD1-N 2.64Å; N136-I139 HydrophobicContact CB-CB 4.13Å; N136-I139 WeakPolarHBondContact O-CG2 3.21Å; N136-I139 PolarHBondContact O-N 2.74Å; N136-I139 PolarHBondContact OD1-N 3.44Å
137	P	98.4	Very high	98.7	Very high	54 Å²	54	40.1 Å²	40.1	35%	0.351	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.7	178.9	28.5	-35.3	0	0	0	113.1	Y133	Y133-P137 HydrophobicContact CD2-CB 3.79Å; Y133-P137 HydrophobicContact CE1-CB 4.4Å; Y133-P137 HydrophobicContact CE2-CB 3.45Å; Y133-P137 VanDerWaalsContact CE2-CB 3.45Å; Y133-P137 HydrophobicContact CG-CB 4.41Å; Y133-P137 WeakPolarHBondContact O-CD 3.27Å
138	N	98	Very high	98.7	Very high	134 Å²	134	36.4 Å²	36.4	72%	0.717	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	6.7	-177.6	-63.6	-40.8	0	0	0	113.5	N136	N136-N138 PolarHBondContact O-N 3.29Å; N136-N138 WeakPolarHBondContact OD1-CA 3.46Å; N136-N138 PolarHBondContact OD1-N 2.64Å
139	I	98.6	Very high	98.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	17%	0.172	C	C	.	.			trans	-62.1	148.6	-177.9	-159	166.6	0	0	0	111.8	P54 Q55 I57 I132 M135 N136 L141 F206	P54-I139 WeakPolarHBondContact O-CD1 3.45Å; Q55-I139 VanDerWaalsContact O-CG1 3.31Å; Q55-I139 WeakPolarHBondContact O-CG1 3.41Å; I57-I139 HydrophobicContact CD1-CD1 3.48Å; I57-I139 VanDerWaalsContact CD1-CD1 3.48Å; I57-I139 HydrophobicContact CG1-CD1 3.64Å; I132-I139 HydrophobicContact CG2-CD1 4.35Å; I132-I139 HydrophobicContact CG2-CG2 3.83Å; M135-I139 HydrophobicContact CE-CD1 3.64Å; N136-I139 HydrophobicContact CB-CB 4.13Å; N136-I139 WeakPolarHBondContact O-CG2 3.21Å; N136-I139 PolarHBondContact O-N 2.74Å; N136-I139 PolarHBondContact OD1-N 3.44Å; I139-L141 HydrophobicContact CG2-CD2 3.79Å; I139-L141 HydrophobicContact CG2-CG 4.14Å; I139-F206 HydrophobicContact CG2-CE1 3.78Å; I139-F206 HydrophobicContact CG2-CZ 4.14Å
140	K	98.8	Very high	98.7	Very high	69 Å²	69	39.3 Å²	39.3	30%	0.3	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.4	174.4	-65.3	-55.3	-172.2	-177.1	0	110.6	Q55 I56 I57 F233 L234	Q55-K140 PolarHBondContact O-N 2.79Å; Q55-K140 VanDerWaalsContact O-N 3.13Å; I56-K140 WeakPolarHBondContact CA-O 3.42Å; I57-K140 PolarHBondContact N-O 3.48Å; K140-F233 HydrophobicContact CB-CE1 3.89Å; K140-F233 HydrophobicContact CB-CZ 4.24Å; K140-F233 HydrophobicContact CD-CE1 4.17Å; K140-F233 HydrophobicContact CD-CE2 4.4Å; K140-F233 HydrophobicContact CD-CZ 3.82Å; K140-F233 HydrophobicContact CG-CE1 4.38Å; K140-F233 HydrophobicContact CG-CZ 4.49Å; K140-L234 HydrophobicContact CB-CD2 3.84Å; K140-L234 HydrophobicContact CG-CD2 4.29Å
141	L	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.5	-177.5	-58.1	175.7	0	0	0	110	I57 I59 I132 I139 W202 F206 S210 I211 H212	I57-L141 HydrophobicContact CB-CD2 4.06Å; I57-L141 WeakPolarHBondContact O-CA 3.38Å; I59-L141 HydrophobicContact CD1-CB 4.47Å; I59-L141 HydrophobicContact CG2-CD2 3.81Å; I132-L141 HydrophobicContact CG2-CD2 4.47Å; I139-L141 HydrophobicContact CG2-CD2 3.79Å; I139-L141 HydrophobicContact CG2-CG 4.14Å; L141-W202 HydrophobicContact CD1-CE3 3.58Å; L141-W202 HydrophobicContact CD1-CZ3 3.55Å; L141-W202 HydrophobicContact CD2-CZ3 4.21Å; L141-W202 HydrophobicContact CG-CZ3 4.5Å; L141-F206 HydrophobicContact CD1-CB 4.27Å; L141-F206 HydrophobicContact CD1-CD1 4.08Å; L141-F206 HydrophobicContact CD1-CD2 3.71Å; L141-F206 HydrophobicContact CD1-CE1 4.36Å; L141-F206 HydrophobicContact CD1-CE2 4Å; L141-F206 HydrophobicContact CD1-CG 3.74Å; L141-F206 HydrophobicContact CD1-CZ 4.3Å; L141-S210 PolarHBondContact N-O 3.13Å; L141-I211 HydrophobicContact CB-CB 4.48Å; L141-I211 HydrophobicContact CB-CG1 4.11Å; L141-I211 HydrophobicContact CB-CG2 4.43Å; L141-I211 HydrophobicContact CD1-CD1 4.45Å; L141-I211 HydrophobicContact CD1-CG1 3.93Å; L141-I211 WeakPolarHBondContact O-CA 3.36Å; L141-H212 PolarHBondContact O-N 3.16Å
142	L	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.2	172.9	-62	-178	0	0	0	109.3	I56 I57 I58 I59 L69 L73 H212 V230 F233	I56-L142 HydrophobicContact CG2-CD1 3.87Å; I56-L142 HydrophobicContact CG2-CG 3.97Å; I57-L142 PolarHBondContact O-N 3.38Å; I58-L142 CarbonylContact C-O 3.44Å; I58-L142 WeakPolarHBondContact CA-O 3.47Å; I58-L142 HydrophobicContact CB-CB 4.46Å; I58-L142 HydrophobicContact CG1-CB 3.86Å; I58-L142 HydrophobicContact CG1-CD1 3.92Å; I58-L142 HydrophobicContact CG1-CG 4.41Å; I59-L142 WeakPolarHBondContact CG1-O 3.46Å; I59-L142 PolarHBondContact N-O 3Å; L69-L142 HydrophobicContact CD2-CB 4.21Å; L69-L142 HydrophobicContact CD2-CD1 4.38Å; L73-L142 HydrophobicContact CD2-CD1 3.98Å; L142-H212 HydrophobicContact CD2-CB 3.8Å; L142-V230 HydrophobicContact CD1-CG1 3.95Å; L142-V230 HydrophobicContact CD2-CG1 4.28Å; L142-F233 HydrophobicContact CD2-CD1 3.71Å; L142-F233 HydrophobicContact CD2-CE1 3.74Å
143	L	98.9	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114	176.8	176.5	61.1	0	0	0	109	I59 F123 L145 M199 I211 H212 V213 V214	I59-L143 HydrophobicContact CD1-CB 4.35Å; I59-L143 HydrophobicContact CD1-CD1 4.46Å; I59-L143 HydrophobicContact CG1-CB 4.29Å; I59-L143 HydrophobicContact CG1-CD1 4.25Å; F123-L143 HydrophobicContact CB-CD1 4.27Å; F123-L143 HydrophobicContact CD1-CD1 4.06Å; F123-L143 HydrophobicContact CD2-CD1 3.54Å; F123-L143 HydrophobicContact CD2-CD2 4.01Å; F123-L143 HydrophobicContact CD2-CG 4.42Å; F123-L143 HydrophobicContact CE1-CD1 4.26Å; F123-L143 HydrophobicContact CE2-CD1 3.8Å; F123-L143 HydrophobicContact CE2-CD2 3.45Å; F123-L143 VanDerWaalsContact CE2-CD2 3.45Å; F123-L143 HydrophobicContact CE2-CG 4.28Å; F123-L143 HydrophobicContact CG-CD1 3.68Å; F123-L143 HydrophobicContact CZ-CD1 4.14Å; F123-L143 HydrophobicContact CZ-CD2 3.81Å; L143-L145 HydrophobicContact CD1-CD2 3.81Å; L143-L145 HydrophobicContact CD1-CG 4.38Å; L143-L145 HydrophobicContact CD2-CD1 4.13Å; L143-L145 HydrophobicContact CD2-CD2 4.29Å; L143-L145 HydrophobicContact CD2-CG 4.27Å; L143-L145 HydrophobicContact CG-CD1 4.37Å; L143-L145 HydrophobicContact CG-CD2 3.95Å; L143-L145 HydrophobicContact CG-CG 3.97Å; L143-M199 HydrophobicContact CD2-SD 3.97Å; L143-I211 HydrophobicContact CB-CG2 4.12Å; L143-H212 PolarHBondContact N-O 3.5Å; L143-V213 HydrophobicContact CD2-CG2 4.39Å; L143-V213 CarbonylContact O-C 3.59Å; L143-V213 VanDerWaalsContact O-CA 3.24Å; L143-V213 WeakPolarHBondContact O-CA 3.42Å; L143-V214 PolarHBondContact O-N 2.91Å
144	I	98.9	Very high	98.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.4	174.8	-176.2	173.9	0	0	0	110.8	G60 V61 G64 T66 L69 V214 L219	G60-I144 CarbonylContact C-O 3.46Å; G60-I144 WeakPolarHBondContact O-CG2 3.29Å; G60-I144 PolarHBondContact O-N 2.97Å; V61-I144 PolarHBondContact N-O 3.08Å; G64-I144 VanDerWaalsContact O-CD1 3.3Å; G64-I144 WeakPolarHBondContact O-CD1 3.35Å; G64-I144 WeakPolarHBondContact O-CG1 3.45Å; T66-I144 HydrophobicContact CG2-CG2 3.53Å; L69-I144 HydrophobicContact CB-CD1 4.31Å; L69-I144 HydrophobicContact CD2-CB 4.07Å; L69-I144 HydrophobicContact CD2-CG2 4.13Å; I144-V214 WeakPolarHBondContact CA-O 3.47Å; I144-V214 HydrophobicContact CB-CB 3.98Å; I144-V214 HydrophobicContact CB-CG1 4.4Å; I144-V214 HydrophobicContact CD1-CG1 4.1Å; I144-V214 HydrophobicContact CG1-CB 4.06Å; I144-V214 HydrophobicContact CG1-CG1 4.01Å; I144-L219 HydrophobicContact CD1-CD2 3.45Å; I144-L219 VanDerWaalsContact CD1-CD2 3.45Å
145	L	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	150.1	-178.6	-59.1	-179.9	0	0	0	111.1	V61 F123 L143 Y195 V213 V214 G216 F295 W305	V61-L145 HydrophobicContact CB-CD2 3.85Å; V61-L145 HydrophobicContact CG1-CD2 3.69Å; F123-L145 HydrophobicContact CE1-CD2 4.38Å; L143-L145 HydrophobicContact CD1-CD2 3.81Å; L143-L145 HydrophobicContact CD1-CG 4.38Å; L143-L145 HydrophobicContact CD2-CD1 4.13Å; L143-L145 HydrophobicContact CD2-CD2 4.29Å; L143-L145 HydrophobicContact CD2-CG 4.27Å; L143-L145 HydrophobicContact CG-CD1 4.37Å; L143-L145 HydrophobicContact CG-CD2 3.95Å; L143-L145 HydrophobicContact CG-CG 3.97Å; L145-Y195 HydrophobicContact CB-CE2 4.21Å; L145-Y195 HydrophobicContact CD1-CD2 3.92Å; L145-Y195 HydrophobicContact CD1-CE2 4.41Å; L145-Y195 HydrophobicContact CD1-CG 4.03Å; L145-Y195 HydrophobicContact CD2-CD1 3.81Å; L145-Y195 HydrophobicContact CD2-CD2 4.3Å; L145-Y195 HydrophobicContact CD2-CE1 3.82Å; L145-Y195 HydrophobicContact CD2-CE2 4.31Å; L145-Y195 HydrophobicContact CD2-CG 4.04Å; L145-Y195 HydrophobicContact CG-CD2 4.49Å; L145-V213 HydrophobicContact CD1-CG1 3.88Å; L145-V213 HydrophobicContact CG-CG1 4.17Å; L145-V214 PolarHBondContact N-O 3.13Å; L145-V214 VanDerWaalsContact N-O 3.11Å; L145-G216 VanDerWaalsContact O-CA 3.27Å; L145-G216 WeakPolarHBondContact O-CA 3.44Å; L145-G216 PolarHBondContact O-N 3.42Å; L145-F295 HydrophobicContact CD1-CE1 3.58Å; L145-F295 HydrophobicContact CD1-CE2 3.97Å; L145-F295 HydrophobicContact CD1-CZ 3.21Å; L145-W305 HydrophobicContact CB-CH2 4.16Å; L145-W305 HydrophobicContact CB-CZ2 3.96Å; L145-W305 HydrophobicContact CD1-CH2 4.16Å
146	R	98.5	Very high	98.6	Very high	31 Å²	31	21.8 Å²	21.8	12%	0.117	11%	0.111	C	C	.	.			trans	-125.1	169	171.8	-71.4	-179.9	62.8	-153.5	-0.3	108.8	G64 Y195 D217	G64-R146 WeakPolarHBondContact O-CD 3.3Å; G64-R146 WeakPolarHBondContact O-CG 3.49Å; R146-Y195 VanDerWaalsContact O-CE2 3.27Å; R146-Y195 WeakPolarHBondContact O-CE2 3.33Å; R146-Y195 PolarHBondContact O-OH 3.03Å; R146-D217 WeakPolarHBondContact CB-OD1 3.32Å; R146-D217 WeakPolarHBondContact CG-OD1 3.48Å; R146-D217 IonicContact NE-OD1 2.8Å; R146-D217 PolarHBondContact NE-OD1 3Å
147	D	98.8	Very high	98.5	Very high	11 Å²	11	19.6 Å²	19.6	6%	0.059	10%	0.1	C	C	.	.			trans	-41.6	125.4	166.2	176.2	-78.1	0	0	0	110.2	T149 E150 R151 D217 W305 K306	D147-T149 VanDerWaalsContact C-N 3.28Å; D147-T149 PolarHBondContact O-N 3.02Å; D147-T149 WeakPolarHBondContact OD1-CA 3.44Å; D147-T149 VanDerWaalsContact OD1-CB 3.25Å; D147-T149 WeakPolarHBondContact OD1-CB 3.11Å; D147-T149 PolarHBondContact OD1-N 2.9Å; D147-E150 HydrophobicContact CB-CB 4.02Å; D147-E150 HydrophobicContact CB-CG 3.99Å; D147-E150 PolarHBondContact O-N 3.23Å; D147-E150 PolarHBondContact OD1-N 2.78Å; D147-R151 WeakPolarHBondContact O-CB 3.49Å; D147-R151 PolarHBondContact O-N 2.87Å; D147-D217 PolarHBondContact N-OD2 3.23Å; D147-W305 VanDerWaalsContact CA-CD1 3.44Å; D147-W305 HydrophobicContact CB-CB 4.44Å; D147-W305 HydrophobicContact CB-CG 4.15Å; D147-K306 PolarHBondContact OD2-N 3Å
148	P	98.7	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-34.8	-171.1	25.2	-35.3	0	0	0	112	R151 V152 Y195 F288	P148-R151 PolarHBondContact O-N 2.85Å; P148-V152 VanDerWaalsContact O-CG2 3.25Å; P148-V152 WeakPolarHBondContact O-CG2 3.5Å; P148-V152 PolarHBondContact O-N 2.87Å; P148-Y195 HydrophobicContact CB-CE2 4.17Å; P148-F288 HydrophobicContact CB-CB 4.33Å; P148-F288 HydrophobicContact CB-CD1 3.85Å; P148-F288 HydrophobicContact CB-CD2 3.91Å; P148-F288 HydrophobicContact CB-CE1 4.1Å; P148-F288 HydrophobicContact CB-CE2 4.15Å; P148-F288 HydrophobicContact CB-CG 3.77Å; P148-F288 HydrophobicContact CB-CZ 4.24Å; P148-F288 HydrophobicContact CG-CB 3.69Å; P148-F288 HydrophobicContact CG-CD1 4.15Å; P148-F288 HydrophobicContact CG-CD2 3.93Å; P148-F288 HydrophobicContact CG-CG 3.67Å
149	T	98.4	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.3	-50.2	175.1	-64.3	0	0	0	0	110.1	D147 R151 V152 L153 L281 L284 Y285	D147-T149 VanDerWaalsContact C-N 3.28Å; D147-T149 PolarHBondContact O-N 3.02Å; D147-T149 WeakPolarHBondContact OD1-CA 3.44Å; D147-T149 VanDerWaalsContact OD1-CB 3.25Å; D147-T149 WeakPolarHBondContact OD1-CB 3.11Å; D147-T149 PolarHBondContact OD1-N 2.9Å; T149-R151 VanDerWaalsContact C-N 3.26Å; T149-R151 PolarHBondContact O-N 2.95Å; T149-V152 WeakPolarHBondContact O-CB 3.39Å; T149-V152 PolarHBondContact O-N 2.89Å; T149-V152 VanDerWaalsContact O-N 3.09Å; T149-L153 WeakPolarHBondContact O-CG 3.44Å; T149-L153 PolarHBondContact O-N 3.11Å; T149-L281 HydrophobicContact CG2-CD2 4.09Å; T149-L284 HydrophobicContact CG2-CB 4.02Å; T149-L284 HydrophobicContact CG2-CD1 3.92Å; T149-Y285 HydrophobicContact CG2-CD1 4.15Å; T149-Y285 HydrophobicContact CG2-CE1 3.6Å; T149-Y285 WeakPolarHBondContact OG1-CD1 3.46Å
150	E	98.4	Very high	98.3	Very high	61 Å²	61	16.7 Å²	16.7	29%	0.285	8%	0.08	S	C	.	.	H	α-helix	trans	-58.6	-37.7	176.2	-72.1	-68	171	0	0	112.7	D147 L153 S154 H273	D147-E150 HydrophobicContact CB-CB 4.02Å; D147-E150 HydrophobicContact CB-CG 3.99Å; D147-E150 PolarHBondContact O-N 3.23Å; D147-E150 PolarHBondContact OD1-N 2.78Å; E150-L153 PolarHBondContact O-N 3.41Å; E150-S154 WeakPolarHBondContact O-CB 3.15Å; E150-S154 PolarHBondContact O-N 2.74Å; E150-H273 PolarHBondContact O-CE1 3.36Å; E150-H273 IonicContact OE2-CE1 2.64Å; E150-H273 PolarHBondContact OE2-CE1 2.94Å; E150-H273 IonicContact OE2-ND1 3.48Å; E150-H273 PolarHBondContact OE2-ND1 3.44Å
151	R	98.6	Very high	98.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.2	-39.9	176.3	-165.3	-130.8	68.2	83.1	4.2	111.5	V61 R62 K63 D147 P148 T149 S154 D155 A189 S193 Y195	V61-R151 HydrophobicContact CG1-CG 4.22Å; R62-R151 WeakPolarHBondContact O-CD 3.44Å; R62-R151 PolarHBondContact O-NH1 3.43Å; K63-R151 HydrophobicContact CB-CG 4.29Å; D147-R151 WeakPolarHBondContact O-CB 3.49Å; D147-R151 PolarHBondContact O-N 2.87Å; P148-R151 PolarHBondContact O-N 2.85Å; T149-R151 VanDerWaalsContact C-N 3.26Å; T149-R151 PolarHBondContact O-N 2.95Å; R151-S154 PolarHBondContact O-N 3.45Å; R151-D155 IonicContact CZ-OD2 2.95Å; R151-D155 IonicContact NH1-OD2 3.49Å; R151-D155 PolarHBondContact NH1-OD2 3.17Å; R151-D155 IonicContact NH2-OD2 2.98Å; R151-D155 PolarHBondContact NH2-OD2 2.97Å; R151-D155 VanDerWaalsContact NH2-OD2 3.13Å; R151-D155 WeakPolarHBondContact O-CB 3.29Å; R151-D155 PolarHBondContact O-N 3.38Å; R151-A189 PolarHBondContact NH2-O 3.04Å; R151-S193 PolarHBondContact NE-OG 2.68Å; R151-S193 PolarHBondContact NH2-OG 2.74Å; R151-Y195 WeakPolarHBondContact CD-OH 3.4Å
152	V	98.6	Very high	97.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-50.5	173.7	170.5	0	0	0	0	110.7	P148 T149 S154 D155 Y156 L177 Y187 A189 L190 S193 F288	P148-V152 VanDerWaalsContact O-CG2 3.25Å; P148-V152 WeakPolarHBondContact O-CG2 3.5Å; P148-V152 PolarHBondContact O-N 2.87Å; T149-V152 WeakPolarHBondContact O-CB 3.39Å; T149-V152 PolarHBondContact O-N 2.89Å; T149-V152 VanDerWaalsContact O-N 3.09Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.44Å; V152-D155 PolarHBondContact O-N 3.37Å; V152-D155 VanDerWaalsContact O-N 3.15Å; V152-Y156 PolarHBondContact O-N 2.91Å; V152-L177 HydrophobicContact CG1-CD2 3.67Å; V152-Y187 HydrophobicContact CG1-CD1 4.49Å; V152-Y187 HydrophobicContact CG1-CE1 3.93Å; V152-A189 HydrophobicContact CG1-CB 4.25Å; V152-L190 HydrophobicContact CG1-CD2 4.37Å; V152-L190 HydrophobicContact CG2-CD2 4.06Å; V152-S193 VanDerWaalsContact CG2-OG 3.23Å; V152-S193 WeakPolarHBondContact CG2-OG 3.08Å; V152-F288 HydrophobicContact CG2-CE2 4.1Å; V152-F288 HydrophobicContact CG2-CZ 3.89Å
153	L	98.3	Very high	97.7	Very high	11 Å²	11	25.7 Å²	25.7	6%	0.058	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-45	178.3	-59.2	-174.4	0	0	0	110.8	T149 E150 D155 Y156 T157 I173 H273 V276 L281	T149-L153 WeakPolarHBondContact O-CG 3.44Å; T149-L153 PolarHBondContact O-N 3.11Å; E150-L153 PolarHBondContact O-N 3.41Å; L153-D155 VanDerWaalsContact C-N 3.33Å; L153-D155 PolarHBondContact O-N 3.33Å; L153-Y156 PolarHBondContact O-N 3.35Å; L153-T157 WeakPolarHBondContact O-CB 3.35Å; L153-T157 PolarHBondContact O-N 2.94Å; L153-T157 PolarHBondContact O-OG1 2.95Å; L153-I173 HydrophobicContact CD2-CD1 3.4Å; L153-I173 VanDerWaalsContact CD2-CD1 3.4Å; L153-H273 HydrophobicContact CB-CB 4.33Å; L153-V276 HydrophobicContact CD2-CG2 3.77Å; L153-L281 HydrophobicContact CD1-CD2 4.17Å
154	S	98.3	Very high	97.4	Very high	14 Å²	14	28.9 Å²	28.9	10%	0.098	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-36.6	178	-159.7	0	0	0	0	113.3	K63 E150 R151 V152 Q158 H273	K63-S154 VanDerWaalsContact CE-O 3.28Å; K63-S154 WeakPolarHBondContact CE-O 3.46Å; K63-S154 WeakPolarHBondContact CE-OG 3.37Å; E150-S154 WeakPolarHBondContact O-CB 3.15Å; E150-S154 PolarHBondContact O-N 2.74Å; R151-S154 PolarHBondContact O-N 3.45Å; V152-S154 VanDerWaalsContact C-N 3.3Å; V152-S154 PolarHBondContact O-N 3.44Å; S154-Q158 PolarHBondContact O-N 3.04Å; S154-H273 WeakPolarHBondContact CB-NE2 3.39Å
155	D	98.4	Very high	97.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-46	176.5	-158.2	-10.2	0	0	0	111.2	R62 K63 R151 V152 L153 Q158 V159 A189 R192	R62-D155 IonicContact CZ-OD1 3.88Å; R62-D155 IonicContact NE-OD1 3.17Å; R62-D155 PolarHBondContact NE-OD1 3.23Å; R62-D155 IonicContact NE-OD2 2.63Å; R62-D155 PolarHBondContact NE-OD2 3.39Å; R62-D155 IonicContact NH2-OD1 3.36Å; R62-D155 PolarHBondContact NH2-OD1 2.91Å; K63-D155 HydrophobicContact CG-CB 4.13Å; R151-D155 IonicContact CZ-OD2 2.95Å; R151-D155 IonicContact NH1-OD2 3.49Å; R151-D155 PolarHBondContact NH1-OD2 3.17Å; R151-D155 IonicContact NH2-OD2 2.98Å; R151-D155 PolarHBondContact NH2-OD2 2.97Å; R151-D155 VanDerWaalsContact NH2-OD2 3.13Å; R151-D155 WeakPolarHBondContact O-CB 3.29Å; R151-D155 PolarHBondContact O-N 3.38Å; V152-D155 PolarHBondContact O-N 3.37Å; V152-D155 VanDerWaalsContact O-N 3.15Å; L153-D155 VanDerWaalsContact C-N 3.33Å; L153-D155 PolarHBondContact O-N 3.33Å; D155-Q158 PolarHBondContact O-N 3.36Å; D155-V159 WeakPolarHBondContact O-CG2 3.47Å; D155-V159 PolarHBondContact O-N 2.82Å; D155-A189 HydrophobicContact CB-CB 4.11Å; D155-R192 IonicContact OD1-NH1 2.87Å; D155-R192 IonicContact OD2-NH1 3.13Å; D155-R192 PolarHBondContact OD2-NH1 3.09Å
156	Y	98.3	Very high	97	Very high	19 Å²	19	42.1 Å²	42.1	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-56	-52.9	171.5	172.5	-91.8	0	0	0	111.2	V152 L153 Q158 V159 F160 Q171 I173 V176 Y187 P274	V152-Y156 PolarHBondContact O-N 2.91Å; L153-Y156 PolarHBondContact O-N 3.35Å; Y156-Q158 VanDerWaalsContact C-N 3.27Å; Y156-Q158 PolarHBondContact O-N 3.38Å; Y156-V159 PolarHBondContact O-N 3.44Å; Y156-F160 HydrophobicContact CD1-CB 4.47Å; Y156-F160 HydrophobicContact CE1-CB 4.05Å; Y156-F160 HydrophobicContact CE1-CG 4.41Å; Y156-F160 WeakPolarHBondContact O-CB 3.45Å; Y156-F160 PolarHBondContact O-N 3.45Å; Y156-Q171 WeakPolarHBondContact CE2-O 3.41Å; Y156-Q171 PolarHBondContact OH-O 2.79Å; Y156-I173 HydrophobicContact CD1-CB 3.96Å; Y156-I173 HydrophobicContact CD1-CD1 3.64Å; Y156-I173 HydrophobicContact CD1-CG1 3.88Å; Y156-I173 HydrophobicContact CD2-CB 4.21Å; Y156-I173 HydrophobicContact CD2-CD1 4.46Å; Y156-I173 HydrophobicContact CD2-CG1 3.98Å; Y156-I173 HydrophobicContact CE1-CB 3.68Å; Y156-I173 HydrophobicContact CE1-CD1 4.23Å; Y156-I173 HydrophobicContact CE1-CG1 4.15Å; Y156-I173 HydrophobicContact CE2-CB 3.93Å; Y156-I173 HydrophobicContact CE2-CG1 4.22Å; Y156-I173 HydrophobicContact CG-CB 4.21Å; Y156-I173 HydrophobicContact CG-CD1 3.77Å; Y156-I173 HydrophobicContact CG-CG1 3.79Å; Y156-I173 PolarHBondContact OH-N 2.9Å; Y156-V176 HydrophobicContact CD2-CG2 3.75Å; Y156-V176 HydrophobicContact CE2-CG2 3.93Å; Y156-Y187 WeakPolarHBondContact CB-OH 3.3Å; Y156-P274 HydrophobicContact CD1-CG 3.88Å; Y156-P274 HydrophobicContact CE1-CB 4.49Å; Y156-P274 HydrophobicContact CE1-CG 3.96Å
157	T	97.9	Very high	96.8	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-54.5	-43.9	-179.1	-63.1	0	0	0	0	111.4	L153 V159 F160 Y161 R271 A272 P274	L153-T157 WeakPolarHBondContact O-CB 3.35Å; L153-T157 PolarHBondContact O-N 2.94Å; L153-T157 PolarHBondContact O-OG1 2.95Å; T157-V159 VanDerWaalsContact C-N 3.35Å; T157-V159 PolarHBondContact O-N 2.85Å; T157-F160 PolarHBondContact O-N 3.14Å; T157-Y161 HydrophobicContact CG2-CD2 3.68Å; T157-Y161 HydrophobicContact CG2-CE2 3.66Å; T157-Y161 VanDerWaalsContact O-CD2 3.3Å; T157-Y161 WeakPolarHBondContact O-CD2 3.41Å; T157-Y161 PolarHBondContact O-N 3.42Å; T157-R271 HydrophobicContact CG2-CB 3.84Å; T157-A272 VanDerWaalsContact CG2-O 3.32Å; T157-A272 WeakPolarHBondContact CG2-O 3.35Å; T157-P274 WeakPolarHBondContact OG1-CD 3.41Å
158	Q	97.1	Very high	96.6	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-46.3	177.1	-175.1	67	54	0	0	112	K63 S154 D155 Y156 N162 R271	K63-Q158 HydrophobicContact CD-CB 4.16Å; K63-Q158 HydrophobicContact CD-CG 4.48Å; S154-Q158 PolarHBondContact O-N 3.04Å; D155-Q158 PolarHBondContact O-N 3.36Å; Y156-Q158 VanDerWaalsContact C-N 3.27Å; Y156-Q158 PolarHBondContact O-N 3.38Å; Q158-N162 PolarHBondContact NE2-OD1 3.41Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 3.29Å; Q158-N162 VanDerWaalsContact O-N 3.09Å; Q158-N162 PolarHBondContact O-OD1 3.11Å; Q158-R271 VanDerWaalsContact NE2-NH1 3.11Å
159	V	96.1	Very high	96.3	Very high	52 Å²	52	66 Å²	66	32%	0.315	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-41.3	-179.8	174.6	0	0	0	0	111	D155 Y156 T157 N162 R163	D155-V159 WeakPolarHBondContact O-CG2 3.47Å; D155-V159 PolarHBondContact O-N 2.82Å; Y156-V159 PolarHBondContact O-N 3.44Å; T157-V159 VanDerWaalsContact C-N 3.35Å; T157-V159 PolarHBondContact O-N 2.85Å; V159-N162 PolarHBondContact O-N 3Å; V159-R163 WeakPolarHBondContact O-CG 3.47Å; V159-R163 PolarHBondContact O-N 2.88Å
160	F	96.1	Very high	96	Very high	47 Å²	47	71.3 Å²	71.3	21%	0.206	32%	0.315	C	S	.	.	H	α-helix	trans	-55.2	-56.6	175.5	166.9	-96.7	0	0	0	111.5	Y156 T157 N162 R163 L164 Y170	Y156-F160 HydrophobicContact CD1-CB 4.47Å; Y156-F160 HydrophobicContact CE1-CB 4.05Å; Y156-F160 HydrophobicContact CE1-CG 4.41Å; Y156-F160 WeakPolarHBondContact O-CB 3.45Å; Y156-F160 PolarHBondContact O-N 3.45Å; T157-F160 PolarHBondContact O-N 3.14Å; F160-N162 VanDerWaalsContact C-N 3.33Å; F160-N162 PolarHBondContact O-N 3.08Å; F160-R163 WeakPolarHBondContact O-CB 3.41Å; F160-R163 PolarHBondContact O-N 3.31Å; F160-L164 HydrophobicContact CD1-CD1 3.96Å; F160-L164 HydrophobicContact CE1-CD1 3.33Å; F160-L164 HydrophobicContact CE1-CG 4.24Å; F160-L164 HydrophobicContact CE2-CD1 4.14Å; F160-L164 HydrophobicContact CE2-CG 4.36Å; F160-L164 HydrophobicContact CZ-CD1 3.45Å; F160-L164 VanDerWaalsContact CZ-CD1 3.45Å; F160-L164 HydrophobicContact CZ-CG 4.14Å; F160-L164 PolarHBondContact O-N 3.48Å; F160-Y170 HydrophobicContact CD2-CD1 4.23Å; F160-Y170 AromaticContact CD2-CD2 3.57Å; F160-Y170 HydrophobicContact CD2-CD2 3.57Å; F160-Y170 HydrophobicContact CD2-CE1 4.42Å; F160-Y170 AromaticContact CD2-CE2 3.82Å; F160-Y170 HydrophobicContact CD2-CE2 3.82Å; F160-Y170 AromaticContact CD2-CG 3.8Å; F160-Y170 HydrophobicContact CD2-CG 3.8Å; F160-Y170 HydrophobicContact CE2-CD1 4.16Å; F160-Y170 AromaticContact CE2-CD2 3.64Å; F160-Y170 HydrophobicContact CE2-CD2 3.64Å; F160-Y170 AromaticContact CE2-CE1 3.89Å; F160-Y170 HydrophobicContact CE2-CE1 3.89Å; F160-Y170 AromaticContact CE2-CE2 3.36Å; F160-Y170 HydrophobicContact CE2-CE2 3.36Å; F160-Y170 HydrophobicContact CE2-CG 4.04Å; F160-Y170 AromaticContact CE2-CZ 3.47Å; F160-Y170 VanDerWaalsContact CE2-CZ 3.47Å
161	Y	94.3	Very high	95.7	Very high	83 Å²	83	74.3 Å²	74.3	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-37	179.4	-85	-81.8	0	0	0	112.9	T157 R163 L164 Q165 R271	T157-Y161 HydrophobicContact CG2-CD2 3.68Å; T157-Y161 HydrophobicContact CG2-CE2 3.66Å; T157-Y161 VanDerWaalsContact O-CD2 3.3Å; T157-Y161 WeakPolarHBondContact O-CD2 3.41Å; T157-Y161 PolarHBondContact O-N 3.42Å; Y161-R163 VanDerWaalsContact C-N 3.27Å; Y161-R163 PolarHBondContact O-N 3.5Å; Y161-L164 HydrophobicContact CD1-CD1 4.46Å; Y161-L164 PolarHBondContact O-N 2.98Å; Y161-Q165 WeakPolarHBondContact O-CG 3.39Å; Y161-Q165 PolarHBondContact O-N 3Å; Y161-R271 VanDerWaalsContact CD2-CD 3.47Å; Y161-R271 HydrophobicContact CE2-CB 4.13Å; Y161-R271 HydrophobicContact CE2-CG 4.38Å
162	N	94	Very high	95.5	Very high	66 Å²	66	77.8 Å²	77.8	35%	0.353	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-33.4	175.6	-71.2	6.6	0	0	0	112	Q158 V159 F160 K166	Q158-N162 PolarHBondContact NE2-OD1 3.41Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 3.29Å; Q158-N162 VanDerWaalsContact O-N 3.09Å; Q158-N162 PolarHBondContact O-OD1 3.11Å; V159-N162 PolarHBondContact O-N 3Å; F160-N162 VanDerWaalsContact C-N 3.33Å; F160-N162 PolarHBondContact O-N 3.08Å; N162-K166 WeakPolarHBondContact O-CG 3.5Å; N162-K166 PolarHBondContact O-N 3.37Å
163	R	95.4	Very high	95.3	Very high	109 Å²	109	78 Å²	78	41%	0.411	35%	0.353	S	S	.	.	H	α-helix	trans	-73.3	-42.5	175.2	-76.3	177.5	172.7	-87.5	-2.9	111.5	V159 F160 Y161 Q165 K166 H167 K168 R169	V159-R163 WeakPolarHBondContact O-CG 3.47Å; V159-R163 PolarHBondContact O-N 2.88Å; F160-R163 WeakPolarHBondContact O-CB 3.41Å; F160-R163 PolarHBondContact O-N 3.31Å; Y161-R163 VanDerWaalsContact C-N 3.27Å; Y161-R163 PolarHBondContact O-N 3.5Å; R163-Q165 PolarHBondContact O-N 3.2Å; R163-K166 CarbonylContact O-C 3.58Å; R163-K166 PolarHBondContact O-N 3.05Å; R163-K166 VanDerWaalsContact O-N 3.13Å; R163-H167 PolarHBondContact O-N 3.05Å; R163-H167 VanDerWaalsContact O-N 3.13Å; R163-K168 HydrophobicContact CB-CB 4.26Å; R163-K168 HydrophobicContact CG-CB 4.39Å; R163-K168 PolarHBondContact O-N 2.72Å; R163-R169 WeakPolarHBondContact CD-O 3.26Å; R163-R169 PolarHBondContact NH1-O 2.99Å
164	L	93.4	Very high	95.1	Very high	68 Å²	68	80.6 Å²	80.6	36%	0.356	36%	0.364	S	S	.	.	H	α-helix	trans	-55.6	-51.2	174.2	-73.7	-178.6	0	0	0	111.7	F160 Y161 K166 H167 Y170	F160-L164 HydrophobicContact CD1-CD1 3.96Å; F160-L164 HydrophobicContact CE1-CD1 3.33Å; F160-L164 HydrophobicContact CE1-CG 4.24Å; F160-L164 HydrophobicContact CE2-CD1 4.14Å; F160-L164 HydrophobicContact CE2-CG 4.36Å; F160-L164 HydrophobicContact CZ-CD1 3.45Å; F160-L164 VanDerWaalsContact CZ-CD1 3.45Å; F160-L164 HydrophobicContact CZ-CG 4.14Å; F160-L164 PolarHBondContact O-N 3.48Å; Y161-L164 HydrophobicContact CD1-CD1 4.46Å; Y161-L164 PolarHBondContact O-N 2.98Å; L164-K166 PolarHBondContact O-N 3.24Å; L164-K166 VanDerWaalsContact O-N 3.16Å; L164-H167 PolarHBondContact O-N 2.8Å; L164-Y170 HydrophobicContact CD2-CD1 3.9Å; L164-Y170 HydrophobicContact CD2-CE1 3.47Å; L164-Y170 VanDerWaalsContact CD2-CE1 3.47Å; L164-Y170 HydrophobicContact CG-CE1 4.41Å
165	Q	93.3	Very high	94.9	Very high	130 Å²	130	82.6 Å²	82.6	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-59.5	-29.2	178.6	-73.2	178.7	-25.4	0	0	113.2	Y161 R163	Y161-Q165 WeakPolarHBondContact O-CG 3.39Å; Y161-Q165 PolarHBondContact O-N 3Å; R163-Q165 PolarHBondContact O-N 3.2Å
166	K	95.3	Very high	94.8	Very high	148 Å²	148	83.3 Å²	83.3	64%	0.643	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	9.7	178.8	-66.1	-176.6	-179.8	-169.6	0	113.1	N162 R163 L164 K168	N162-K166 WeakPolarHBondContact O-CG 3.5Å; N162-K166 PolarHBondContact O-N 3.37Å; R163-K166 CarbonylContact O-C 3.58Å; R163-K166 PolarHBondContact O-N 3.05Å; R163-K166 VanDerWaalsContact O-N 3.13Å; L164-K166 PolarHBondContact O-N 3.24Å; L164-K166 VanDerWaalsContact O-N 3.16Å; K166-K168 HydrophobicContact CB-CD 4.29Å; K166-K168 HydrophobicContact CB-CG 3.99Å; K166-K168 WeakPolarHBondContact O-CG 3.42Å; K166-K168 PolarHBondContact O-N 2.83Å; K166-K168 VanDerWaalsContact O-N 3.16Å
167	H	94.4	Very high	94.7	Very high	183 Å²	183	82.4 Å²	82.4	85%	0.847	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	35.5	-176.7	-56.8	83.5	0	0	0	113.1	R163 L164	R163-H167 PolarHBondContact O-N 3.05Å; R163-H167 VanDerWaalsContact O-N 3.13Å; L164-H167 PolarHBondContact O-N 2.8Å
168	K	95.1	Very high	94.6	Very high	124 Å²	124	83.7 Å²	83.7	54%	0.539	39%	0.387	S	S	.	.			trans	-100.2	145.7	179.8	-63.1	-168	178.8	-167.8	0	110.9	R163 K166	R163-K168 HydrophobicContact CB-CB 4.26Å; R163-K168 HydrophobicContact CG-CB 4.39Å; R163-K168 PolarHBondContact O-N 2.72Å; K166-K168 HydrophobicContact CB-CD 4.29Å; K166-K168 HydrophobicContact CB-CG 3.99Å; K166-K168 WeakPolarHBondContact O-CG 3.42Å; K166-K168 PolarHBondContact O-N 2.83Å; K166-K168 VanDerWaalsContact O-N 3.16Å
169	R	92.7	Very high	94.4	Very high	236 Å²	236	88.5 Å²	88.5	89%	0.891	41%	0.408	S	S	*	.			trans	-56.9	142.2	170.5	-66.7	-175.7	179	171.7	-0.1	111	R163	R163-R169 WeakPolarHBondContact CD-O 3.26Å; R163-R169 PolarHBondContact NH1-O 2.99Å
170	Y	92	Very high	94.3	Very high	112 Å²	112	93 Å²	93	44%	0.439	43%	0.43	S	S	.	.			trans	-129.1	161	172.5	63.9	-91.9	0	0	0	109.1	F160 L164	F160-Y170 HydrophobicContact CD2-CD1 4.23Å; F160-Y170 AromaticContact CD2-CD2 3.57Å; F160-Y170 HydrophobicContact CD2-CD2 3.57Å; F160-Y170 HydrophobicContact CD2-CE1 4.42Å; F160-Y170 AromaticContact CD2-CE2 3.82Å; F160-Y170 HydrophobicContact CD2-CE2 3.82Å; F160-Y170 AromaticContact CD2-CG 3.8Å; F160-Y170 HydrophobicContact CD2-CG 3.8Å; F160-Y170 HydrophobicContact CE2-CD1 4.16Å; F160-Y170 AromaticContact CE2-CD2 3.64Å; F160-Y170 HydrophobicContact CE2-CD2 3.64Å; F160-Y170 AromaticContact CE2-CE1 3.89Å; F160-Y170 HydrophobicContact CE2-CE1 3.89Å; F160-Y170 AromaticContact CE2-CE2 3.36Å; F160-Y170 HydrophobicContact CE2-CE2 3.36Å; F160-Y170 HydrophobicContact CE2-CG 4.04Å; F160-Y170 AromaticContact CE2-CZ 3.47Å; F160-Y170 VanDerWaalsContact CE2-CZ 3.47Å; L164-Y170 HydrophobicContact CD2-CD1 3.9Å; L164-Y170 HydrophobicContact CD2-CE1 3.47Å; L164-Y170 VanDerWaalsContact CD2-CE1 3.47Å; L164-Y170 HydrophobicContact CG-CE1 4.41Å
171	Q	92.5	Very high	94	Very high	125 Å²	125	93 Å²	93	58%	0.584	44%	0.443	S	S	*	.			trans	-105.1	141.3	176.8	-77.1	-179.8	-33.2	0	0	108.8	Y156 V176	Y156-Q171 WeakPolarHBondContact CE2-O 3.41Å; Y156-Q171 PolarHBondContact OH-O 2.79Å; Q171-V176 HydrophobicContact CB-CG1 3.72Å
172	P	93.8	Very high	94.1	Very high	73 Å²	73	94.6 Å²	94.6	47%	0.474	45%	0.454	S	S	.	.			trans	-54	151.1	171.3	-24.8	34.1	0	0	0	112	E174 S175 V176	P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.43Å; P172-S175 PolarHBondContact O-N 3.36Å; P172-S175 VanDerWaalsContact O-N 3.14Å; P172-S175 PolarHBondContact O-OG 2.98Å; P172-V176 PolarHBondContact O-N 2.86Å
173	I	94.8	Very high	94.2	Very high	3 Å²	3	92.5 Å²	92.5	2%	0.015	44%	0.442	C	S	.	.	H	α-helix	trans	-63.6	-36.4	-172.8	-169.4	170.5	0	0	0	111.9	L153 Y156 S175 V176 L177 P274 V276	L153-I173 HydrophobicContact CD2-CD1 3.4Å; L153-I173 VanDerWaalsContact CD2-CD1 3.4Å; Y156-I173 HydrophobicContact CD1-CB 3.96Å; Y156-I173 HydrophobicContact CD1-CD1 3.64Å; Y156-I173 HydrophobicContact CD1-CG1 3.88Å; Y156-I173 HydrophobicContact CD2-CB 4.21Å; Y156-I173 HydrophobicContact CD2-CD1 4.46Å; Y156-I173 HydrophobicContact CD2-CG1 3.98Å; Y156-I173 HydrophobicContact CE1-CB 3.68Å; Y156-I173 HydrophobicContact CE1-CD1 4.23Å; Y156-I173 HydrophobicContact CE1-CG1 4.15Å; Y156-I173 HydrophobicContact CE2-CB 3.93Å; Y156-I173 HydrophobicContact CE2-CG1 4.22Å; Y156-I173 HydrophobicContact CG-CB 4.21Å; Y156-I173 HydrophobicContact CG-CD1 3.77Å; Y156-I173 HydrophobicContact CG-CG1 3.79Å; Y156-I173 PolarHBondContact OH-N 2.9Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.84Å; I173-V176 HydrophobicContact CG1-CG2 4.34Å; I173-V176 WeakPolarHBondContact O-CG2 3.49Å; I173-V176 PolarHBondContact O-N 2.78Å; I173-L177 HydrophobicContact CD1-CD1 4.01Å; I173-L177 HydrophobicContact CG1-CD1 3.62Å; I173-L177 HydrophobicContact CG1-CG 3.91Å; I173-L177 WeakPolarHBondContact O-CB 3.37Å; I173-L177 VanDerWaalsContact O-CG 3.25Å; I173-L177 WeakPolarHBondContact O-CG 3.31Å; I173-L177 PolarHBondContact O-N 3.49Å; I173-P274 HydrophobicContact CB-CG 4.25Å; I173-P274 HydrophobicContact CD1-CG 3.54Å; I173-P274 HydrophobicContact CG1-CG 4.47Å; I173-P274 HydrophobicContact CG2-CB 4.26Å; I173-P274 HydrophobicContact CG2-CG 4.09Å; I173-V276 HydrophobicContact CD1-CG2 3.9Å; I173-V276 HydrophobicContact CG2-CG2 3.78Å
174	E	94.9	Very high	94.2	Very high	66 Å²	66	89.2 Å²	89.2	31%	0.308	43%	0.433	S	S	.	.	H	α-helix	trans	-59	-43.9	177.4	-63	79.9	-174.1	0	0	111.1	P172 V176 L177 V178 I280	P172-E174 VanDerWaalsContact C-N 3.27Å; P172-E174 PolarHBondContact O-N 3.43Å; E174-V176 VanDerWaalsContact C-N 3.29Å; E174-V176 PolarHBondContact O-N 2.85Å; E174-L177 PolarHBondContact O-N 3.43Å; E174-V178 PolarHBondContact O-N 3.25Å; E174-I280 HydrophobicContact CB-CD1 3.8Å; E174-I280 HydrophobicContact CG-CD1 3.5Å; E174-I280 VanDerWaalsContact CG-CD1 3.5Å
175	S	94	Very high	94.3	Very high	56 Å²	56	91.9 Å²	91.9	39%	0.392	45%	0.446	S	S	.	.	H	α-helix	trans	-70.2	-22.9	-179	69.4	0	0	0	0	114	P172 I173	P172-S175 PolarHBondContact O-N 3.36Å; P172-S175 VanDerWaalsContact O-N 3.14Å; P172-S175 PolarHBondContact O-OG 2.98Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.84Å
176	V	95.4	Very high	94.4	Very high	16 Å²	16	88.7 Å²	88.7	10%	0.097	45%	0.449	C	S	.	.	H	α-helix	trans	-89	-30.8	174.2	-57.6	0	0	0	0	112.1	Y156 Q171 P172 I173 E174 N184 Y187	Y156-V176 HydrophobicContact CD2-CG2 3.75Å; Y156-V176 HydrophobicContact CE2-CG2 3.93Å; Q171-V176 HydrophobicContact CB-CG1 3.72Å; P172-V176 PolarHBondContact O-N 2.86Å; I173-V176 HydrophobicContact CG1-CG2 4.34Å; I173-V176 WeakPolarHBondContact O-CG2 3.49Å; I173-V176 PolarHBondContact O-N 2.78Å; E174-V176 VanDerWaalsContact C-N 3.29Å; E174-V176 PolarHBondContact O-N 2.85Å; V176-N184 WeakPolarHBondContact O-CB 3.33Å; V176-N184 PolarHBondContact O-ND2 2.69Å; V176-Y187 HydrophobicContact CB-CD2 4.44Å; V176-Y187 HydrophobicContact CB-CE2 4.42Å; V176-Y187 HydrophobicContact CG2-CE1 4.28Å; V176-Y187 HydrophobicContact CG2-CE2 4.39Å
177	L	96.3	Very high	94.5	Very high	0 Å²	0	83.6 Å²	83.6	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-81.4	-33.6	-179	-71.8	178.6	0	0	0	113.1	V152 I173 E174 N184 Y187 V276 I280 L284	V152-L177 HydrophobicContact CG1-CD2 3.67Å; I173-L177 HydrophobicContact CD1-CD1 4.01Å; I173-L177 HydrophobicContact CG1-CD1 3.62Å; I173-L177 HydrophobicContact CG1-CG 3.91Å; I173-L177 WeakPolarHBondContact O-CB 3.37Å; I173-L177 VanDerWaalsContact O-CG 3.25Å; I173-L177 WeakPolarHBondContact O-CG 3.31Å; I173-L177 PolarHBondContact O-N 3.49Å; E174-L177 PolarHBondContact O-N 3.43Å; L177-N184 WeakPolarHBondContact O-CB 3.49Å; L177-N184 PolarHBondContact O-N 2.93Å; L177-Y187 HydrophobicContact CD2-CD1 3.84Å; L177-Y187 HydrophobicContact CD2-CE1 3.83Å; L177-V276 HydrophobicContact CD1-CG1 4.38Å; L177-I280 HydrophobicContact CB-CG2 4.28Å; L177-I280 HydrophobicContact CD1-CG2 3.97Å; L177-L284 HydrophobicContact CD1-CD1 3.92Å; L177-L284 HydrophobicContact CD2-CD1 4.23Å; L177-L284 HydrophobicContact CD2-CD2 4.35Å
178	V	95.4	Very high	94.6	Very high	32 Å²	32	82 Å²	82	19%	0.194	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133	-173.7	-178.8	0	0	0	0	110	E174 E182 I280	E174-V178 PolarHBondContact O-N 3.25Å; V178-E182 CarbonylContact C-O 3.5Å; V178-E182 WeakPolarHBondContact CA-O 3.49Å; V178-E182 WeakPolarHBondContact CG1-O 3.33Å; V178-I280 HydrophobicContact CG2-CB 4.5Å; V178-I280 HydrophobicContact CG2-CD1 4.1Å; V178-I280 HydrophobicContact CG2-CG1 4Å; V178-I280 HydrophobicContact CG2-CG2 3.84Å
179	K	94.4	Very high	94.7	Very high	129 Å²	129	76.1 Å²	76.1	56%	0.561	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.9	173.3	-171.9	-173.4	173	-171.7	0	108.2	G181 E182 N184	K179-G181 PolarHBondContact O-N 2.94Å; K179-E182 PolarHBondContact N-O 2.86Å; K179-E182 PolarHBondContact O-N 3.44Å; K179-E182 VanDerWaalsContact O-O 3.1Å; K179-N184 HydrophobicContact CB-CB 4.02Å
180	D	92.6	Very high	94.9	Very high	148 Å²	148	65 Å²	65	79%	0.791	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	37.7	179.3	-49.6	-40.2	0	0	0	113	E182	D180-E182 VanDerWaalsContact C-N 3.25Å; D180-E182 PolarHBondContact O-N 2.98Å
181	G	91.3	Very high	95.2	Very high	46 Å²	46	63.4 Å²	63.4	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	-8.5	-179	0	0	0	0	0	115.2	K179 K283	K179-G181 PolarHBondContact O-N 2.94Å; G181-K283 PolarHBondContact O-NZ 2.87Å
182	E	94.4	Very high	95.5	Very high	117 Å²	117	60 Å²	60	55%	0.547	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	163.4	-177	-68.8	-53.2	143.8	0	0	114.2	V178 K179 D180 N184 K283	V178-E182 CarbonylContact C-O 3.5Å; V178-E182 WeakPolarHBondContact CA-O 3.49Å; V178-E182 WeakPolarHBondContact CG1-O 3.33Å; K179-E182 PolarHBondContact N-O 2.86Å; K179-E182 PolarHBondContact O-N 3.44Å; K179-E182 VanDerWaalsContact O-O 3.1Å; D180-E182 VanDerWaalsContact C-N 3.25Å; D180-E182 PolarHBondContact O-N 2.98Å; E182-N184 PolarHBondContact O-N 3.31Å; E182-K283 IonicContact OE1-NZ 3.71Å; E182-K283 PolarHBondContact OE1-NZ 2.78Å; E182-K283 IonicContact OE2-NZ 3.24Å; E182-K283 PolarHBondContact OE2-NZ 3.15Å
183	I	96	Very high	95.8	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.108	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	124.9	176.3	-66.8	-59.3	0	0	0	109.9	L185 L190 K283 L284 F287	I183-L185 HydrophobicContact CG2-CD2 4.23Å; I183-L185 PolarHBondContact O-N 2.94Å; I183-L190 HydrophobicContact CG2-CD1 3.4Å; I183-L190 VanDerWaalsContact CG2-CD1 3.4Å; I183-L190 HydrophobicContact CG2-CD2 4.49Å; I183-K283 HydrophobicContact CD1-CB 3.72Å; I183-K283 HydrophobicContact CG1-CB 4Å; I183-L284 HydrophobicContact CD1-CD2 3.72Å; I183-L284 HydrophobicContact CD1-CG 4.12Å; I183-F287 HydrophobicContact CG2-CD2 4.39Å; I183-F287 HydrophobicContact CG2-CG 4.41Å
184	N	97	Very high	95.9	Very high	41 Å²	41	57.7 Å²	57.7	22%	0.219	31%	0.313	C	S	.	.			trans	-75.6	88.9	179.7	177.6	14.4	0	0	0	111	V176 L177 K179 E182 G186 Y187 L190	V176-N184 WeakPolarHBondContact O-CB 3.33Å; V176-N184 PolarHBondContact O-ND2 2.69Å; L177-N184 WeakPolarHBondContact O-CB 3.49Å; L177-N184 PolarHBondContact O-N 2.93Å; K179-N184 HydrophobicContact CB-CB 4.02Å; E182-N184 PolarHBondContact O-N 3.31Å; N184-G186 PolarHBondContact O-N 3.48Å; N184-G186 PolarHBondContact OD1-N 3.41Å; N184-Y187 VanDerWaalsContact O-CB 3.31Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 3.15Å; N184-L190 WeakPolarHBondContact O-CD1 3.28Å
185	L	95.2	Very high	96.1	Very high	123 Å²	123	54.6 Å²	54.6	64%	0.644	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.2	179.1	-57.5	-178	0	0	0	114	I183 Y187 F287	I183-L185 HydrophobicContact CG2-CD2 4.23Å; I183-L185 PolarHBondContact O-N 2.94Å; L185-Y187 PolarHBondContact O-N 3.28Å; L185-F287 HydrophobicContact CD2-CD2 4.22Å; L185-F287 HydrophobicContact CD2-CE2 3.37Å; L185-F287 HydrophobicContact CD2-CZ 3.81Å
186	G	95.1	Very high	96.4	Very high	64 Å²	64	54.2 Å²	54.2	66%	0.66	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12	173.3	0	0	0	0	0	113.9	N184 K188	N184-G186 PolarHBondContact O-N 3.48Å; N184-G186 PolarHBondContact OD1-N 3.41Å; G186-K188 PolarHBondContact O-N 3.39Å
187	Y	96.8	Very high	96.5	Very high	40 Å²	40	56 Å²	56	16%	0.157	30%	0.3	C	S	.	.			trans	-75	108.4	179.3	-175.1	-138.1	0	0	0	111.5	V152 Y156 V176 L177 N184 L185 A189 L190	V152-Y187 HydrophobicContact CG1-CD1 4.49Å; V152-Y187 HydrophobicContact CG1-CE1 3.93Å; Y156-Y187 WeakPolarHBondContact CB-OH 3.3Å; V176-Y187 HydrophobicContact CB-CD2 4.44Å; V176-Y187 HydrophobicContact CB-CE2 4.42Å; V176-Y187 HydrophobicContact CG2-CE1 4.28Å; V176-Y187 HydrophobicContact CG2-CE2 4.39Å; L177-Y187 HydrophobicContact CD2-CD1 3.84Å; L177-Y187 HydrophobicContact CD2-CE1 3.83Å; N184-Y187 VanDerWaalsContact O-CB 3.31Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 3.15Å; L185-Y187 PolarHBondContact O-N 3.28Å; Y187-A189 HydrophobicContact CD1-CB 3.89Å; Y187-A189 HydrophobicContact CE1-CB 3.37Å; Y187-A189 HydrophobicContact CE2-CB 4.1Å; Y187-A189 HydrophobicContact CG-CB 4.46Å; Y187-A189 VanDerWaalsContact CZ-CB 3.46Å; Y187-A189 PolarHBondContact O-N 3.13Å; Y187-L190 HydrophobicContact CD1-CG 4.14Å; Y187-L190 WeakPolarHBondContact O-CB 3.44Å; Y187-L190 PolarHBondContact O-N 3.34Å
188	K	96.5	Very high	96.6	Very high	151 Å²	151	56.8 Å²	56.8	66%	0.657	30%	0.304	S	S	*	.	H	α-helix	trans	-52.6	-27.6	-175.2	-62.9	-173.7	179.3	-175.7	0	114.7	G186 L190 N191 R192	G186-K188 PolarHBondContact O-N 3.39Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-N191 PolarHBondContact O-N 3.22Å; K188-R192 WeakPolarHBondContact O-CG 3.35Å; K188-R192 PolarHBondContact O-N 2.71Å
189	A	97.6	Very high	96.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.9	-29.4	177.9	0	0	0	0	0	112.4	R151 V152 D155 Y187 S193	R151-A189 PolarHBondContact NH2-O 3.04Å; V152-A189 HydrophobicContact CG1-CB 4.25Å; D155-A189 HydrophobicContact CB-CB 4.11Å; Y187-A189 HydrophobicContact CD1-CB 3.89Å; Y187-A189 HydrophobicContact CE1-CB 3.37Å; Y187-A189 HydrophobicContact CE2-CB 4.1Å; Y187-A189 HydrophobicContact CG-CB 4.46Å; Y187-A189 VanDerWaalsContact CZ-CB 3.46Å; Y187-A189 PolarHBondContact O-N 3.13Å; A189-S193 PolarHBondContact O-N 3.35Å; A189-S193 PolarHBondContact O-OG 3.21Å
190	L	98.1	Very high	97	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-50	173.9	-63.3	174.3	0	0	0	110.2	V152 I183 N184 Y187 K188 R192 S193 L194 L284 F287 F288	V152-L190 HydrophobicContact CG1-CD2 4.37Å; V152-L190 HydrophobicContact CG2-CD2 4.06Å; I183-L190 HydrophobicContact CG2-CD1 3.4Å; I183-L190 VanDerWaalsContact CG2-CD1 3.4Å; I183-L190 HydrophobicContact CG2-CD2 4.49Å; N184-L190 WeakPolarHBondContact O-CD1 3.28Å; Y187-L190 HydrophobicContact CD1-CG 4.14Å; Y187-L190 WeakPolarHBondContact O-CB 3.44Å; Y187-L190 PolarHBondContact O-N 3.34Å; K188-L190 VanDerWaalsContact C-N 3.31Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 2.91Å; L190-S193 WeakPolarHBondContact O-CA 3.28Å; L190-S193 WeakPolarHBondContact O-CB 3.32Å; L190-S193 PolarHBondContact O-N 3.02Å; L190-L194 PolarHBondContact O-N 3.37Å; L190-L284 HydrophobicContact CD2-CD2 3.58Å; L190-F287 HydrophobicContact CB-CE1 4.3Å; L190-F287 HydrophobicContact CD2-CE1 4.4Å; L190-F288 HydrophobicContact CD2-CE2 4.18Å; L190-F288 HydrophobicContact CD2-CZ 3.76Å
191	N	98.1	Very high	97.3	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-57.3	-42.3	179.5	177.6	-91.6	0	0	0	112.6	K188 S193 L194 H198	K188-N191 PolarHBondContact O-N 3.22Å; N191-S193 PolarHBondContact O-N 2.86Å; N191-S193 VanDerWaalsContact O-N 3.11Å; N191-L194 WeakPolarHBondContact O-CB 3.41Å; N191-L194 PolarHBondContact O-N 3.24Å; N191-L194 VanDerWaalsContact O-N 3.09Å; N191-H198 PolarHBondContact O-NE2 3.21Å
192	R	98.6	Very high	97.7	Very high	54 Å²	54	46.2 Å²	46.2	20%	0.204	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.5	175.7	-66.5	-175.1	-163.2	108.7	10.1	114.2	T124 D155 K188 L190	T124-R192 HydrophobicContact CG2-CB 4.03Å; T124-R192 HydrophobicContact CG2-CG 3.98Å; D155-R192 IonicContact OD1-NH1 2.87Å; D155-R192 IonicContact OD2-NH1 3.13Å; D155-R192 PolarHBondContact OD2-NH1 3.09Å; K188-R192 WeakPolarHBondContact O-CG 3.35Å; K188-R192 PolarHBondContact O-N 2.71Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 2.91Å
193	S	98.8	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-3	179.1	-38.6	0	0	0	0	112.7	R151 V152 A189 L190 N191 Y195	R151-S193 PolarHBondContact NE-OG 2.68Å; R151-S193 PolarHBondContact NH2-OG 2.74Å; V152-S193 VanDerWaalsContact CG2-OG 3.23Å; V152-S193 WeakPolarHBondContact CG2-OG 3.08Å; A189-S193 PolarHBondContact O-N 3.35Å; A189-S193 PolarHBondContact O-OG 3.21Å; L190-S193 WeakPolarHBondContact O-CA 3.28Å; L190-S193 WeakPolarHBondContact O-CB 3.32Å; L190-S193 PolarHBondContact O-N 3.02Å; N191-S193 PolarHBondContact O-N 2.86Å; N191-S193 VanDerWaalsContact O-N 3.11Å; S193-Y195 PolarHBondContact O-N 3.05Å
194	L	98.6	Very high	98	Very high	27 Å²	27	48.3 Å²	48.3	14%	0.141	25%	0.249	C	C	.	.			trans	-78.9	69.4	169.6	-61.7	176.4	0	0	0	109.5	L190 N191 Y196 V197 H198 F287 F288 P291	L190-L194 PolarHBondContact O-N 3.37Å; N191-L194 WeakPolarHBondContact O-CB 3.41Å; N191-L194 PolarHBondContact O-N 3.24Å; N191-L194 VanDerWaalsContact O-N 3.09Å; L194-Y196 VanDerWaalsContact C-N 3.26Å; L194-Y196 HydrophobicContact CB-CE1 4.36Å; L194-Y196 HydrophobicContact CD2-CE1 4.42Å; L194-Y196 PolarHBondContact O-N 3.36Å; L194-V197 HydrophobicContact CB-CB 4.41Å; L194-V197 HydrophobicContact CB-CG2 3.93Å; L194-V197 WeakPolarHBondContact O-CB 3.49Å; L194-V197 PolarHBondContact O-N 3.31Å; L194-V197 VanDerWaalsContact O-N 3.1Å; L194-H198 PolarHBondContact O-CD2 3.24Å; L194-H198 VanDerWaalsContact O-CD2 3.26Å; L194-F287 HydrophobicContact CD2-CE1 4.03Å; L194-F287 HydrophobicContact CD2-CZ 4.13Å; L194-F288 HydrophobicContact CD2-CD1 4.23Å; L194-F288 HydrophobicContact CD2-CE1 4.11Å; L194-P291 HydrophobicContact CD2-CB 3.88Å; L194-P291 HydrophobicContact CD2-CG 3.76Å
195	Y	98.9	Very high	98.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-35.9	-169	-55.8	-38.8	0	0	0	113.6	V61 F123 L145 R146 P148 R151 S193 V197 H198 M199 W305	V61-Y195 HydrophobicContact CB-CE1 4.46Å; V61-Y195 HydrophobicContact CG1-CE1 3.99Å; V61-Y195 HydrophobicContact CG2-CE1 4.31Å; F123-Y195 HydrophobicContact CE1-CD1 4.11Å; L145-Y195 HydrophobicContact CB-CE2 4.21Å; L145-Y195 HydrophobicContact CD1-CD2 3.92Å; L145-Y195 HydrophobicContact CD1-CE2 4.41Å; L145-Y195 HydrophobicContact CD1-CG 4.03Å; L145-Y195 HydrophobicContact CD2-CD1 3.81Å; L145-Y195 HydrophobicContact CD2-CD2 4.3Å; L145-Y195 HydrophobicContact CD2-CE1 3.82Å; L145-Y195 HydrophobicContact CD2-CE2 4.31Å; L145-Y195 HydrophobicContact CD2-CG 4.04Å; L145-Y195 HydrophobicContact CG-CD2 4.49Å; R146-Y195 VanDerWaalsContact O-CE2 3.27Å; R146-Y195 WeakPolarHBondContact O-CE2 3.33Å; R146-Y195 PolarHBondContact O-OH 3.03Å; P148-Y195 HydrophobicContact CB-CE2 4.17Å; R151-Y195 WeakPolarHBondContact CD-OH 3.4Å; S193-Y195 PolarHBondContact O-N 3.05Å; Y195-V197 VanDerWaalsContact C-N 3.31Å; Y195-V197 PolarHBondContact O-N 3.19Å; Y195-H198 PolarHBondContact O-N 2.92Å; Y195-M199 VanDerWaalsContact O-CB 3.27Å; Y195-M199 WeakPolarHBondContact O-CB 3.3Å; Y195-M199 PolarHBondContact O-N 3.14Å; Y195-W305 AromaticContact CD2-CH2 3.55Å; Y195-W305 HydrophobicContact CD2-CH2 3.55Å; Y195-W305 HydrophobicContact CD2-CZ2 4.49Å; Y195-W305 AromaticContact CD2-CZ3 3.66Å; Y195-W305 HydrophobicContact CD2-CZ3 3.66Å; Y195-W305 AromaticContact CE2-CH2 3.61Å; Y195-W305 HydrophobicContact CE2-CH2 3.61Å; Y195-W305 HydrophobicContact CE2-CZ2 4.14Å; Y195-W305 AromaticContact CE2-CZ3 3.86Å; Y195-W305 HydrophobicContact CE2-CZ3 3.86Å
196	Y	98.8	Very high	98.3	Very high	48 Å²	48	43.8 Å²	43.8	19%	0.188	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-40.8	177.9	80.8	-88.4	0	0	0	112.6	L194 H198 M199 Q200 P291 K294	L194-Y196 VanDerWaalsContact C-N 3.26Å; L194-Y196 HydrophobicContact CB-CE1 4.36Å; L194-Y196 HydrophobicContact CD2-CE1 4.42Å; L194-Y196 PolarHBondContact O-N 3.36Å; Y196-H198 VanDerWaalsContact C-N 3.35Å; Y196-H198 PolarHBondContact O-N 3.43Å; Y196-M199 PolarHBondContact O-N 3.34Å; Y196-Q200 WeakPolarHBondContact O-CB 3.3Å; Y196-Q200 VanDerWaalsContact O-CG 3.29Å; Y196-Q200 WeakPolarHBondContact O-CG 3.47Å; Y196-Q200 PolarHBondContact O-N 3.41Å; Y196-P291 HydrophobicContact CD1-CB 3.83Å; Y196-P291 HydrophobicContact CE1-CB 3.7Å; Y196-P291 HydrophobicContact CE1-CG 4.17Å; Y196-K294 HydrophobicContact CD1-CB 4.34Å; Y196-K294 HydrophobicContact CD2-CB 4.26Å; Y196-K294 HydrophobicContact CD2-CD 4.22Å; Y196-K294 HydrophobicContact CE1-CD 4.47Å; Y196-K294 HydrophobicContact CE2-CD 4.03Å; Y196-K294 HydrophobicContact CG-CB 3.98Å
197	V	98.6	Very high	98.4	Very high	53 Å²	53	43.6 Å²	43.6	32%	0.321	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-48.1	-178.7	177	0	0	0	0	110.1	L194 Y195	L194-V197 HydrophobicContact CB-CB 4.41Å; L194-V197 HydrophobicContact CB-CG2 3.93Å; L194-V197 WeakPolarHBondContact O-CB 3.49Å; L194-V197 PolarHBondContact O-N 3.31Å; L194-V197 VanDerWaalsContact O-N 3.1Å; Y195-V197 VanDerWaalsContact C-N 3.31Å; Y195-V197 PolarHBondContact O-N 3.19Å
198	H	98.9	Very high	98.5	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-71.2	-43.8	-178.4	-58.9	-61.1	0	0	0	110.4	F123 N191 L194 Y195 Y196 Q200 N201 W202	F123-H198 HydrophobicContact CD1-CB 4Å; F123-H198 HydrophobicContact CD2-CB 4.38Å; F123-H198 HydrophobicContact CE1-CB 3.56Å; F123-H198 HydrophobicContact CE2-CB 3.96Å; F123-H198 HydrophobicContact CG-CB 4.4Å; F123-H198 HydrophobicContact CZ-CB 3.54Å; N191-H198 PolarHBondContact O-NE2 3.21Å; L194-H198 PolarHBondContact O-CD2 3.24Å; L194-H198 VanDerWaalsContact O-CD2 3.26Å; Y195-H198 PolarHBondContact O-N 2.92Å; Y196-H198 VanDerWaalsContact C-N 3.35Å; Y196-H198 PolarHBondContact O-N 3.43Å; H198-Q200 VanDerWaalsContact C-N 3.31Å; H198-Q200 PolarHBondContact O-N 2.94Å; H198-N201 VanDerWaalsContact O-CB 3.29Å; H198-N201 WeakPolarHBondContact O-CB 3.45Å; H198-N201 PolarHBondContact O-N 3.06Å; H198-W202 VanDerWaalsContact O-CD1 3.24Å; H198-W202 PolarHBondContact O-N 3.38Å
199	M	98.9	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-40.1	178.4	-169.4	67.1	-177.1	0	0	112.3	F123 L143 Y195 Y196 N201 W202 L203 L208 I211 F295 L298 V299	F123-M199 HydrophobicContact CE2-CB 4.48Å; F123-M199 HydrophobicContact CE2-SD 4.38Å; F123-M199 HydrophobicContact CZ-CB 4.43Å; L143-M199 HydrophobicContact CD2-SD 3.97Å; Y195-M199 VanDerWaalsContact O-CB 3.27Å; Y195-M199 WeakPolarHBondContact O-CB 3.3Å; Y195-M199 PolarHBondContact O-N 3.14Å; Y196-M199 PolarHBondContact O-N 3.34Å; M199-N201 PolarHBondContact O-N 3.09Å; M199-W202 PolarHBondContact O-N 3.01Å; M199-L203 HydrophobicContact CE-CD1 4.25Å; M199-L203 HydrophobicContact CE-CD2 3.97Å; M199-L203 HydrophobicContact CE-CG 4.08Å; M199-L203 HydrophobicContact CG-CD1 3.98Å; M199-L203 HydrophobicContact CG-CG 4.28Å; M199-L203 WeakPolarHBondContact O-CG 3.41Å; M199-L203 PolarHBondContact O-N 3.36Å; M199-L208 HydrophobicContact CE-CD1 3.52Å; M199-I211 HydrophobicContact CE-CB 4.22Å; M199-I211 HydrophobicContact CE-CD1 3.76Å; M199-I211 HydrophobicContact CE-CG2 4.04Å; M199-I211 HydrophobicContact SD-CD1 4.4Å; M199-F295 HydrophobicContact CB-CD2 4.26Å; M199-F295 HydrophobicContact CB-CE2 3.98Å; M199-F295 HydrophobicContact CG-CE2 4.02Å; M199-L298 HydrophobicContact CB-CD2 3.8Å; M199-L298 HydrophobicContact CG-CD2 3.8Å; M199-L298 HydrophobicContact CG-CG 4.49Å; M199-V299 HydrophobicContact CE-CG1 4.04Å; M199-V299 HydrophobicContact CG-CG1 4.07Å
200	Q	98.8	Very high	98.6	Very high	99 Å²	99	44.6 Å²	44.6	46%	0.463	22%	0.219	S	C	.	.	H	α-helix	trans	-57.6	-35.3	173.7	-77.3	179.3	-52.3	0	0	112.6	Y196 H198 Q204 L298	Y196-Q200 WeakPolarHBondContact O-CB 3.3Å; Y196-Q200 VanDerWaalsContact O-CG 3.29Å; Y196-Q200 WeakPolarHBondContact O-CG 3.47Å; Y196-Q200 PolarHBondContact O-N 3.41Å; H198-Q200 VanDerWaalsContact C-N 3.31Å; H198-Q200 PolarHBondContact O-N 2.94Å; Q200-Q204 WeakPolarHBondContact O-CG 3.39Å; Q200-Q204 PolarHBondContact O-N 3.03Å; Q200-L298 HydrophobicContact CG-CD1 4.34Å; Q200-L298 HydrophobicContact CG-CD2 3.75Å
201	N	98.8	Very high	98.6	Very high	33 Å²	33	44.9 Å²	44.9	18%	0.176	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-35.8	176.1	-170.8	48.6	0	0	0	112.4	A126 P129 H198 M199 Y205	A126-N201 WeakPolarHBondContact CA-ND2 3.39Å; A126-N201 PolarHBondContact O-ND2 3.4Å; P129-N201 WeakPolarHBondContact CG-ND2 3.49Å; H198-N201 VanDerWaalsContact O-CB 3.29Å; H198-N201 WeakPolarHBondContact O-CB 3.45Å; H198-N201 PolarHBondContact O-N 3.06Å; M199-N201 PolarHBondContact O-N 3.09Å; N201-Y205 WeakPolarHBondContact O-CD2 3.34Å
202	W	98.9	Very high	98.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.9	-40.7	175.1	-73.9	85.7	0	0	0	112	I59 Y122 F123 V128 P129 I132 L141 H198 M199 Q204 Y205 F206 I211	I59-W202 HydrophobicContact CB-CH2 3.68Å; I59-W202 HydrophobicContact CB-CZ2 3.83Å; I59-W202 HydrophobicContact CB-CZ3 4.4Å; I59-W202 HydrophobicContact CD1-CD2 3.72Å; I59-W202 HydrophobicContact CD1-CE3 3.82Å; I59-W202 HydrophobicContact CD1-CG 4.43Å; I59-W202 HydrophobicContact CD1-CH2 3.79Å; I59-W202 HydrophobicContact CD1-CZ2 3.71Å; I59-W202 HydrophobicContact CD1-CZ3 3.85Å; I59-W202 HydrophobicContact CG1-CH2 4.34Å; I59-W202 HydrophobicContact CG1-CZ2 4.33Å; I59-W202 HydrophobicContact CG2-CH2 3.29Å; I59-W202 HydrophobicContact CG2-CZ2 3.99Å; I59-W202 HydrophobicContact CG2-CZ3 3.77Å; Y122-W202 WeakPolarHBondContact O-CZ2 3.05Å; F123-W202 AromaticContact CD2-CD1 3.68Å; F123-W202 AromaticContact CD2-NE1 3.48Å; F123-W202 AromaticContact CE2-CD1 3.89Å; F123-W202 PolarHBondContact O-NE1 3.07Å; V128-W202 HydrophobicContact CG1-CH2 3.95Å; V128-W202 HydrophobicContact CG1-CZ2 4.12Å; P129-W202 HydrophobicContact CB-CD2 4.18Å; P129-W202 HydrophobicContact CB-CE3 4.15Å; P129-W202 HydrophobicContact CG-CD2 3.65Å; P129-W202 HydrophobicContact CG-CE3 4.08Å; P129-W202 HydrophobicContact CG-CG 3.92Å; P129-W202 HydrophobicContact CG-CZ2 4.13Å; I132-W202 HydrophobicContact CD1-CH2 3.63Å; I132-W202 HydrophobicContact CD1-CZ3 3.97Å; L141-W202 HydrophobicContact CD1-CE3 3.58Å; L141-W202 HydrophobicContact CD1-CZ3 3.55Å; L141-W202 HydrophobicContact CD2-CZ3 4.21Å; L141-W202 HydrophobicContact CG-CZ3 4.5Å; H198-W202 VanDerWaalsContact O-CD1 3.24Å; H198-W202 PolarHBondContact O-N 3.38Å; M199-W202 PolarHBondContact O-N 3.01Å; W202-Q204 PolarHBondContact O-N 3.28Å; W202-Y205 PolarHBondContact O-N 2.99Å; W202-F206 AromaticContact CE3-CD2 3.88Å; W202-F206 HydrophobicContact CE3-CD2 3.88Å; W202-F206 HydrophobicContact CE3-CE2 4.1Å; W202-F206 HydrophobicContact CZ3-CD2 4.36Å; W202-F206 HydrophobicContact CZ3-CE2 4.14Å; W202-F206 PolarHBondContact O-N 3.32Å; W202-I211 HydrophobicContact CB-CD1 3.96Å
203	L	98.8	Very high	98.7	Very high	50 Å²	50	40.7 Å²	40.7	26%	0.262	20%	0.201	S	C	.	.	H	α-helix	trans	-69.1	-11	-178.5	-69.2	175.1	0	0	0	114.5	M199 Y205 F206 L208 I211 L298	M199-L203 HydrophobicContact CE-CD1 4.25Å; M199-L203 HydrophobicContact CE-CD2 3.97Å; M199-L203 HydrophobicContact CE-CG 4.08Å; M199-L203 HydrophobicContact CG-CD1 3.98Å; M199-L203 HydrophobicContact CG-CG 4.28Å; M199-L203 WeakPolarHBondContact O-CG 3.41Å; M199-L203 PolarHBondContact O-N 3.36Å; L203-Y205 PolarHBondContact O-N 3.21Å; L203-F206 WeakPolarHBondContact CA-O 3.46Å; L203-L208 HydrophobicContact CD2-CB 4Å; L203-L208 HydrophobicContact CD2-CD1 4.16Å; L203-I211 HydrophobicContact CD2-CD1 4.28Å; L203-L298 HydrophobicContact CD1-CD1 3.65Å; L203-L298 HydrophobicContact CD1-CD2 4.02Å; L203-L298 HydrophobicContact CD1-CG 3.68Å
204	Q	98.6	Very high	98.7	Very high	132 Å²	132	40.7 Å²	40.7	62%	0.617	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.6	168.8	-72.9	171.9	45.5	0	0	113.1	Q200 W202	Q200-Q204 WeakPolarHBondContact O-CG 3.39Å; Q200-Q204 PolarHBondContact O-N 3.03Å; W202-Q204 PolarHBondContact O-N 3.28Å
205	Y	98.8	Very high	98.7	Very high	68 Å²	68	39.9 Å²	39.9	27%	0.267	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-35.9	-173.7	-62.6	-85.8	0	0	0	112.4	P129 K130 Y133 N201 W202 L203	P129-Y205 HydrophobicContact CB-CD2 3.6Å; P129-Y205 HydrophobicContact CB-CE2 4.17Å; P129-Y205 HydrophobicContact CB-CG 4.27Å; K130-Y205 HydrophobicContact CB-CD1 4.26Å; K130-Y205 HydrophobicContact CB-CE1 3.58Å; K130-Y205 HydrophobicContact CB-CE2 4.2Å; K130-Y205 HydrophobicContact CD-CE1 4.22Å; K130-Y205 HydrophobicContact CG-CD1 4.48Å; K130-Y205 HydrophobicContact CG-CE1 3.65Å; Y133-Y205 HydrophobicContact CD1-CD1 4.35Å; Y133-Y205 WeakPolarHBondContact CD2-O 3.43Å; Y133-Y205 WeakPolarHBondContact CE2-O 3.38Å; Y133-Y205 HydrophobicContact CG-CD1 4.15Å; N201-Y205 WeakPolarHBondContact O-CD2 3.34Å; W202-Y205 PolarHBondContact O-N 2.99Å; L203-Y205 PolarHBondContact O-N 3.21Å
206	F	98.8	Very high	98.7	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	20%	0.197	C	C	.	.	S	Bend	trans	-116.9	130.8	-174.3	-67.6	-72.8	0	0	0	109.9	P129 I132 Y133 I139 L141 W202 L203 S210 I211	P129-F206 WeakPolarHBondContact O-CE2 3.36Å; I132-F206 HydrophobicContact CB-CE2 4.37Å; I132-F206 HydrophobicContact CB-CZ 4.11Å; I132-F206 HydrophobicContact CG2-CE2 4.34Å; I132-F206 HydrophobicContact CG2-CZ 3.75Å; Y133-F206 HydrophobicContact CD2-CD1 4.37Å; Y133-F206 HydrophobicContact CD2-CE1 4.03Å; Y133-F206 HydrophobicContact CD2-CZ 4.24Å; I139-F206 HydrophobicContact CG2-CE1 3.78Å; I139-F206 HydrophobicContact CG2-CZ 4.14Å; L141-F206 HydrophobicContact CD1-CB 4.27Å; L141-F206 HydrophobicContact CD1-CD1 4.08Å; L141-F206 HydrophobicContact CD1-CD2 3.71Å; L141-F206 HydrophobicContact CD1-CE1 4.36Å; L141-F206 HydrophobicContact CD1-CE2 4Å; L141-F206 HydrophobicContact CD1-CG 3.74Å; L141-F206 HydrophobicContact CD1-CZ 4.3Å; W202-F206 AromaticContact CE3-CD2 3.88Å; W202-F206 HydrophobicContact CE3-CD2 3.88Å; W202-F206 HydrophobicContact CE3-CE2 4.1Å; W202-F206 HydrophobicContact CZ3-CD2 4.36Å; W202-F206 HydrophobicContact CZ3-CE2 4.14Å; W202-F206 PolarHBondContact O-N 3.32Å; L203-F206 WeakPolarHBondContact CA-O 3.46Å; F206-S210 WeakPolarHBondContact CB-OG 3.47Å; F206-I211 HydrophobicContact CB-CD1 4.11Å; F206-I211 HydrophobicContact CB-CG1 4.32Å
207	P	98.3	Very high	98.7	Very high	61 Å²	61	38.9 Å²	38.9	40%	0.396	20%	0.196	S	C	.	.			trans	-70.2	154.7	175.2	37.2	-39.8	0	0	0	109.6	E209 S210	P207-E209 VanDerWaalsContact CB-CD 3.46Å; P207-E209 HydrophobicContact CB-CG 4.46Å; P207-E209 VanDerWaalsContact CB-OE1 3.3Å; P207-E209 WeakPolarHBondContact CB-OE1 3.45Å; P207-E209 WeakPolarHBondContact CB-OE2 3.38Å; P207-E209 HydrophobicContact CG-CG 4.29Å; P207-E209 PolarHBondContact O-N 3.11Å; P207-E209 VanDerWaalsContact O-N 3.14Å; P207-S210 PolarHBondContact O-N 2.95Å; P207-S210 PolarHBondContact O-OG 3.21Å; P207-S210 VanDerWaalsContact O-OG 3.06Å
208	L	98.4	Very high	98.7	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.346	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-58	-34.2	-172	-178.8	61.8	0	0	0	112	M199 L203 S210 I211 V299	M199-L208 HydrophobicContact CE-CD1 3.52Å; L203-L208 HydrophobicContact CD2-CB 4Å; L203-L208 HydrophobicContact CD2-CD1 4.16Å; L208-S210 PolarHBondContact O-N 3.32Å; L208-I211 PolarHBondContact O-N 3.43Å; L208-I211 VanDerWaalsContact O-O 3.1Å; L208-V299 HydrophobicContact CD1-CB 4.32Å; L208-V299 HydrophobicContact CD1-CG1 4.27Å
209	E	98	Very high	98.6	Very high	138 Å²	138	42.7 Å²	42.7	65%	0.645	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-68.1	-10.3	177.9	67.1	-88.4	-162.4	0	0	115.1	P207 F233	P207-E209 VanDerWaalsContact CB-CD 3.46Å; P207-E209 HydrophobicContact CB-CG 4.46Å; P207-E209 VanDerWaalsContact CB-OE1 3.3Å; P207-E209 WeakPolarHBondContact CB-OE1 3.45Å; P207-E209 WeakPolarHBondContact CB-OE2 3.38Å; P207-E209 HydrophobicContact CG-CG 4.29Å; P207-E209 PolarHBondContact O-N 3.11Å; P207-E209 VanDerWaalsContact O-N 3.14Å; E209-F233 WeakPolarHBondContact O-CE2 3.26Å
210	S	98.4	Very high	98.6	Very high	8 Å²	8	45.5 Å²	45.5	6%	0.056	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-94	-1.1	170.2	79.6	0	0	0	0	113	L141 F206 P207 L208 F233	L141-S210 PolarHBondContact N-O 3.13Å; F206-S210 WeakPolarHBondContact CB-OG 3.47Å; P207-S210 PolarHBondContact O-N 2.95Å; P207-S210 PolarHBondContact O-OG 3.21Å; P207-S210 VanDerWaalsContact O-OG 3.06Å; L208-S210 PolarHBondContact O-N 3.32Å; S210-F233 WeakPolarHBondContact O-CZ 3.25Å
211	I	98.9	Very high	98.5	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	108.5	179.5	-51.5	172	0	0	0	110.2	L141 L143 M199 W202 L203 F206 L208	L141-I211 HydrophobicContact CB-CB 4.48Å; L141-I211 HydrophobicContact CB-CG1 4.11Å; L141-I211 HydrophobicContact CB-CG2 4.43Å; L141-I211 HydrophobicContact CD1-CD1 4.45Å; L141-I211 HydrophobicContact CD1-CG1 3.93Å; L141-I211 WeakPolarHBondContact O-CA 3.36Å; L143-I211 HydrophobicContact CB-CG2 4.12Å; M199-I211 HydrophobicContact CE-CB 4.22Å; M199-I211 HydrophobicContact CE-CD1 3.76Å; M199-I211 HydrophobicContact CE-CG2 4.04Å; M199-I211 HydrophobicContact SD-CD1 4.4Å; W202-I211 HydrophobicContact CB-CD1 3.96Å; L203-I211 HydrophobicContact CD2-CD1 4.28Å; F206-I211 HydrophobicContact CB-CD1 4.11Å; F206-I211 HydrophobicContact CB-CG1 4.32Å; L208-I211 PolarHBondContact O-N 3.43Å; L208-I211 VanDerWaalsContact O-O 3.1Å
212	H	98.9	Very high	98.4	Very high	31 Å²	31	50.8 Å²	50.8	14%	0.144	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.7	172.7	-173.3	67.3	0	0	0	111.6	L141 L142 L143 F233	L141-H212 PolarHBondContact O-N 3.16Å; L142-H212 HydrophobicContact CD2-CB 3.8Å; L143-H212 PolarHBondContact N-O 3.5Å; H212-F233 HydrophobicContact CB-CB 4.22Å; H212-F233 HydrophobicContact CB-CD1 3.46Å; H212-F233 VanDerWaalsContact CB-CD1 3.46Å; H212-F233 HydrophobicContact CB-CD2 3.7Å; H212-F233 HydrophobicContact CB-CE1 3.57Å; H212-F233 HydrophobicContact CB-CE2 3.79Å; H212-F233 HydrophobicContact CB-CG 3.51Å; H212-F233 HydrophobicContact CB-CZ 3.73Å; H212-F233 AromaticContact CG-CG 3.87Å
213	V	98.9	Very high	98.4	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.073	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	105.3	176.2	-168.5	0	0	0	0	110.8	L143 L145 F295 R301 F303	L143-V213 HydrophobicContact CD2-CG2 4.39Å; L143-V213 CarbonylContact O-C 3.59Å; L143-V213 VanDerWaalsContact O-CA 3.24Å; L143-V213 WeakPolarHBondContact O-CA 3.42Å; L145-V213 HydrophobicContact CD1-CG1 3.88Å; L145-V213 HydrophobicContact CG-CG1 4.17Å; V213-F295 HydrophobicContact CG1-CZ 4.39Å; V213-R301 PolarHBondContact O-NH1 3.47Å; V213-F303 HydrophobicContact CB-CZ 4.27Å; V213-F303 HydrophobicContact CG1-CE1 4.23Å; V213-F303 HydrophobicContact CG1-CE2 4.41Å; V213-F303 HydrophobicContact CG1-CZ 3.56Å
214	V	98.9	Very high	98.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.4	174.5	-178.8	0	0	0	0	109.5	L69 L143 I144 L145 G216 E226 V230	L69-V214 HydrophobicContact CD1-CG2 4.27Å; L69-V214 HydrophobicContact CD2-CG2 4.05Å; L143-V214 PolarHBondContact O-N 2.91Å; I144-V214 WeakPolarHBondContact CA-O 3.47Å; I144-V214 HydrophobicContact CB-CB 3.98Å; I144-V214 HydrophobicContact CB-CG1 4.4Å; I144-V214 HydrophobicContact CD1-CG1 4.1Å; I144-V214 HydrophobicContact CG1-CB 4.06Å; I144-V214 HydrophobicContact CG1-CG1 4.01Å; L145-V214 PolarHBondContact N-O 3.13Å; L145-V214 VanDerWaalsContact N-O 3.11Å; V214-G216 PolarHBondContact O-N 2.98Å; V214-E226 HydrophobicContact CG1-CB 4.35Å; V214-V230 HydrophobicContact CG2-CG2 3.71Å
215	D	98.8	Very high	98.4	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	100.3	173.5	-174.9	-25.7	0	0	0	109.2	D217 R218 L219 E226 R301 F303	D215-D217 VanDerWaalsContact C-N 3.28Å; D215-D217 PolarHBondContact O-N 3.17Å; D215-D217 PolarHBondContact OD1-N 3.16Å; D215-D217 VanDerWaalsContact OD1-N 3.08Å; D215-R218 HydrophobicContact CB-CB 4Å; D215-R218 HydrophobicContact CB-CG 4.19Å; D215-R218 PolarHBondContact O-N 3.44Å; D215-R218 PolarHBondContact OD1-N 3.2Å; D215-R218 VanDerWaalsContact OD2-CD 3.3Å; D215-R218 WeakPolarHBondContact OD2-CD 3.42Å; D215-R218 WeakPolarHBondContact OD2-CG 3.44Å; D215-R218 IonicContact OD2-NE 3.95Å; D215-R218 PolarHBondContact OD2-NE 2.92Å; D215-L219 WeakPolarHBondContact O-CB 3.49Å; D215-L219 PolarHBondContact O-N 2.9Å; D215-E226 WeakPolarHBondContact CB-OE2 3.49Å; D215-E226 PolarHBondContact N-OE2 3.39Å; D215-R301 IonicContact OD2-NH2 3.44Å; D215-F303 HydrophobicContact CB-CD1 4.14Å; D215-F303 HydrophobicContact CB-CE1 3.94Å
216	G	98.7	Very high	98.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-25.2	-178.1	0	0	0	0	0	113.6	L145 V214 I220	L145-G216 VanDerWaalsContact O-CA 3.27Å; L145-G216 WeakPolarHBondContact O-CA 3.44Å; L145-G216 PolarHBondContact O-N 3.42Å; V214-G216 PolarHBondContact O-N 2.98Å; G216-I220 WeakPolarHBondContact O-CD1 3.28Å; G216-I220 VanDerWaalsContact O-CG1 3.26Å; G216-I220 WeakPolarHBondContact O-CG1 3.16Å; G216-I220 PolarHBondContact O-N 3.41Å; G216-I220 VanDerWaalsContact O-N 3.15Å
217	D	98.4	Very high	98.4	Very high	29 Å²	29	43.6 Å²	43.6	16%	0.155	22%	0.215	C	C	.	.	H	α-helix	trans	-75.4	-35.3	176	-61.9	-39.1	0	0	0	110.7	R146 D147 D215 K221 W305	R146-D217 WeakPolarHBondContact CB-OD1 3.32Å; R146-D217 WeakPolarHBondContact CG-OD1 3.48Å; R146-D217 IonicContact NE-OD1 2.8Å; R146-D217 PolarHBondContact NE-OD1 3Å; D147-D217 PolarHBondContact N-OD2 3.23Å; D215-D217 VanDerWaalsContact C-N 3.28Å; D215-D217 PolarHBondContact O-N 3.17Å; D215-D217 PolarHBondContact OD1-N 3.16Å; D215-D217 VanDerWaalsContact OD1-N 3.08Å; D217-K221 WeakPolarHBondContact O-CG 3.2Å; D217-K221 PolarHBondContact O-N 3.14Å; D217-W305 PolarHBondContact OD2-NE1 2.91Å
218	R	98.3	Very high	98.4	Very high	143 Å²	143	43.6 Å²	43.6	54%	0.54	21%	0.209	S	C	.	.	H	α-helix	trans	-67.6	-44.7	167.3	-73.6	-177.5	180	-122.2	0.4	111.9	D215 I220 K221 D222 E226	D215-R218 HydrophobicContact CB-CB 4Å; D215-R218 HydrophobicContact CB-CG 4.19Å; D215-R218 PolarHBondContact O-N 3.44Å; D215-R218 PolarHBondContact OD1-N 3.2Å; D215-R218 VanDerWaalsContact OD2-CD 3.3Å; D215-R218 WeakPolarHBondContact OD2-CD 3.42Å; D215-R218 WeakPolarHBondContact OD2-CG 3.44Å; D215-R218 IonicContact OD2-NE 3.95Å; D215-R218 PolarHBondContact OD2-NE 2.92Å; R218-I220 PolarHBondContact O-N 3.22Å; R218-I220 VanDerWaalsContact O-N 3.15Å; R218-K221 PolarHBondContact O-N 3.01Å; R218-D222 CarbonylContact O-C 3.58Å; R218-D222 PolarHBondContact O-N 3.39Å; R218-E226 HydrophobicContact CB-CG 3.76Å
219	L	98.4	Very high	98.4	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-56.9	-34.2	179.6	-166.6	77.9	0	0	0	112.4	A68 L69 M72 I144 D215 P223 E226 M227	A68-L219 HydrophobicContact CB-CD2 4.32Å; L69-L219 HydrophobicContact CB-CD2 4.44Å; M72-L219 HydrophobicContact SD-CD1 3.85Å; M72-L219 HydrophobicContact SD-CD2 4.14Å; M72-L219 HydrophobicContact SD-CG 4.05Å; I144-L219 HydrophobicContact CD1-CD2 3.45Å; I144-L219 VanDerWaalsContact CD1-CD2 3.45Å; D215-L219 WeakPolarHBondContact O-CB 3.49Å; D215-L219 PolarHBondContact O-N 2.9Å; L219-P223 HydrophobicContact CD1-CB 4.12Å; L219-E226 HydrophobicContact CD1-CB 3.82Å; L219-M227 HydrophobicContact CD1-CG 4.28Å; L219-M227 HydrophobicContact CD1-SD 4.07Å
220	I	97.5	Very high	98.5	Very high	60 Å²	60	36.9 Å²	36.9	31%	0.308	18%	0.175	S	C	.	.	H	α-helix	trans	-67.5	-40.2	174.9	-72.6	164.3	0	0	0	111.9	G216 R218 F253	G216-I220 WeakPolarHBondContact O-CD1 3.28Å; G216-I220 VanDerWaalsContact O-CG1 3.26Å; G216-I220 WeakPolarHBondContact O-CG1 3.16Å; G216-I220 PolarHBondContact O-N 3.41Å; G216-I220 VanDerWaalsContact O-N 3.15Å; R218-I220 PolarHBondContact O-N 3.22Å; R218-I220 VanDerWaalsContact O-N 3.15Å; I220-F253 HydrophobicContact CG2-CD1 4.06Å; I220-F253 HydrophobicContact CG2-CE1 3.87Å
221	K	97.3	Very high	98.5	Very high	163 Å²	163	36.7 Å²	36.7	71%	0.709	17%	0.173	S	C	*	.	H	α-helix	trans	-87.6	-36.7	-172.5	-68.5	177	-178.2	178.8	0	113.6	D217 R218 Y254	D217-K221 WeakPolarHBondContact O-CG 3.2Å; D217-K221 PolarHBondContact O-N 3.14Å; R218-K221 PolarHBondContact O-N 3.01Å; K221-Y254 WeakPolarHBondContact O-CE2 3.36Å
222	D	97.4	Very high	98.5	Very high	80 Å²	80	45.5 Å²	45.5	43%	0.428	21%	0.206	S	C	.	.			trans	-155.9	93.5	-178.4	-175.3	7.4	0	0	0	109	R218 P225	R218-D222 CarbonylContact O-C 3.58Å; R218-D222 PolarHBondContact O-N 3.39Å; D222-P225 WeakPolarHBondContact OD1-CD 3.15Å; D222-P225 WeakPolarHBondContact OD2-CD 3.33Å; D222-P225 VanDerWaalsContact OD2-CG 3.28Å; D222-P225 WeakPolarHBondContact OD2-CG 3.32Å
223	P	98.3	Very high	98.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-73.1	-32.4	-170.8	26.3	-33.9	0	0	0	113.8	M72 L219 E226 M227 F245 Y254	M72-P223 HydrophobicContact CE-CB 3.77Å; M72-P223 HydrophobicContact CE-CG 4.4Å; M72-P223 HydrophobicContact SD-CB 3.94Å; L219-P223 HydrophobicContact CD1-CB 4.12Å; P223-E226 PolarHBondContact O-N 3.36Å; P223-M227 WeakPolarHBondContact O-CG 3.45Å; P223-M227 PolarHBondContact O-N 2.92Å; P223-F245 HydrophobicContact CB-CD1 4Å; P223-F245 HydrophobicContact CB-CE1 3.87Å; P223-F245 HydrophobicContact CB-CZ 4.4Å; P223-F245 HydrophobicContact CG-CB 4.23Å; P223-F245 HydrophobicContact CG-CD1 3.5Å; P223-F245 HydrophobicContact CG-CD2 4.45Å; P223-F245 HydrophobicContact CG-CE1 3.91Å; P223-F245 HydrophobicContact CG-CG 3.81Å; P223-Y254 HydrophobicContact CG-CD1 4.11Å; P223-Y254 HydrophobicContact CG-CD2 4.16Å; P223-Y254 HydrophobicContact CG-CG 3.86Å
224	L	98.5	Very high	98.4	Very high	41 Å²	41	45.9 Å²	45.9	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-47.7	-170	174.2	67.4	0	0	0	112.7	E226 M227 K228 I240 A242 F245	L224-E226 VanDerWaalsContact C-N 3.3Å; L224-E226 PolarHBondContact O-N 3.09Å; L224-M227 PolarHBondContact O-N 3.18Å; L224-K228 HydrophobicContact CD1-CD 4.46Å; L224-K228 HydrophobicContact CD1-CG 4.23Å; L224-K228 WeakPolarHBondContact O-CG 3.45Å; L224-K228 PolarHBondContact O-N 2.99Å; L224-I240 HydrophobicContact CD1-CG2 4.32Å; L224-A242 HydrophobicContact CD2-CB 3.88Å; L224-F245 HydrophobicContact CB-CD2 4.2Å; L224-F245 HydrophobicContact CB-CE2 4.1Å; L224-F245 HydrophobicContact CD1-CE2 3.99Å
225	P	98.6	Very high	98.4	Very high	56 Å²	56	54.6 Å²	54.6	36%	0.364	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-34.2	179.1	-25.7	36	0	0	0	114.1	D222 K229	D222-P225 WeakPolarHBondContact OD1-CD 3.15Å; D222-P225 WeakPolarHBondContact OD2-CD 3.33Å; D222-P225 VanDerWaalsContact OD2-CG 3.28Å; D222-P225 WeakPolarHBondContact OD2-CG 3.32Å; P225-K229 WeakPolarHBondContact O-CG 3.36Å; P225-K229 PolarHBondContact O-N 3.11Å
226	E	98.6	Very high	98.4	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-71.4	-41.3	175	-69.9	-60.2	119.6	0	0	110.8	V214 D215 R218 L219 P223 L224 K228 K229 V230	V214-E226 HydrophobicContact CG1-CB 4.35Å; D215-E226 WeakPolarHBondContact CB-OE2 3.49Å; D215-E226 PolarHBondContact N-OE2 3.39Å; R218-E226 HydrophobicContact CB-CG 3.76Å; L219-E226 HydrophobicContact CD1-CB 3.82Å; P223-E226 PolarHBondContact O-N 3.36Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-E226 PolarHBondContact O-N 3.09Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-K228 PolarHBondContact O-N 3.33Å; E226-K229 WeakPolarHBondContact O-CB 3.37Å; E226-K229 PolarHBondContact O-N 3.42Å; E226-K229 VanDerWaalsContact O-N 3.09Å; E226-K229 IonicContact OE1-NZ 2.79Å; E226-K229 PolarHBondContact OE1-NZ 3.03Å; E226-V230 WeakPolarHBondContact O-CG2 3.44Å; E226-V230 PolarHBondContact O-N 2.9Å; E226-V230 VanDerWaalsContact O-N 3.11Å
227	M	98.8	Very high	98.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-35.1	176.1	-67.6	-50.6	-56.1	0	0	112.8	L69 M72 L73 L219 P223 L224 K229 V230 E231 I240 F245	L69-M227 HydrophobicContact CD1-CE 4.36Å; L69-M227 HydrophobicContact CD1-SD 3.84Å; M72-M227 HydrophobicContact CB-CE 3.92Å; M72-M227 HydrophobicContact CB-CG 4.12Å; M72-M227 HydrophobicContact CB-SD 3.7Å; M72-M227 HydrophobicContact SD-CG 4.41Å; M72-M227 HydrophobicContact SD-SD 4.32Å; L73-M227 HydrophobicContact CB-CE 3.99Å; L73-M227 HydrophobicContact CD1-CE 4.23Å; L219-M227 HydrophobicContact CD1-CG 4.28Å; L219-M227 HydrophobicContact CD1-SD 4.07Å; P223-M227 WeakPolarHBondContact O-CG 3.45Å; P223-M227 PolarHBondContact O-N 2.92Å; L224-M227 PolarHBondContact O-N 3.18Å; M227-K229 VanDerWaalsContact C-N 3.28Å; M227-K229 PolarHBondContact O-N 3.47Å; M227-V230 HydrophobicContact CE-CB 4.39Å; M227-V230 HydrophobicContact CE-CG1 4.41Å; M227-V230 WeakPolarHBondContact O-CB 3.1Å; M227-V230 PolarHBondContact O-N 3.26Å; M227-V230 VanDerWaalsContact O-N 3.14Å; M227-E231 PolarHBondContact O-N 2.87Å; M227-I240 HydrophobicContact CB-CG2 4.28Å; M227-I240 HydrophobicContact CE-CD1 3.88Å; M227-F245 HydrophobicContact CG-CZ 4.11Å
228	K	98.7	Very high	98.3	Very high	61 Å²	61	64.5 Å²	64.5	27%	0.265	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-32.9	172.2	-72.3	-49.1	-170.1	-174.6	0	113.5	L224 E226 E231 R232 P238 I240	L224-K228 HydrophobicContact CD1-CD 4.46Å; L224-K228 HydrophobicContact CD1-CG 4.23Å; L224-K228 WeakPolarHBondContact O-CG 3.45Å; L224-K228 PolarHBondContact O-N 2.99Å; E226-K228 VanDerWaalsContact C-N 3.32Å; E226-K228 PolarHBondContact O-N 3.33Å; K228-E231 WeakPolarHBondContact CD-OE2 3.27Å; K228-E231 IonicContact NZ-OE2 3.77Å; K228-E231 PolarHBondContact NZ-OE2 3.28Å; K228-R232 PolarHBondContact O-N 3.27Å; K228-P238 VanDerWaalsContact NZ-C 3.31Å; K228-P238 PolarHBondContact NZ-O 3.08Å; K228-P238 VanDerWaalsContact NZ-O 3.14Å; K228-I240 WeakPolarHBondContact CE-O 3.45Å; K228-I240 PolarHBondContact NZ-O 3.02Å
229	K	98.8	Very high	98.3	Very high	64 Å²	64	61.7 Å²	61.7	28%	0.278	29%	0.291	S	S	.	.	H	α-helix	trans	-71.4	-38.1	174	-63.3	168.4	-171.1	174.5	0	111.3	P225 E226 M227 R232 F233	P225-K229 WeakPolarHBondContact O-CG 3.36Å; P225-K229 PolarHBondContact O-N 3.11Å; E226-K229 WeakPolarHBondContact O-CB 3.37Å; E226-K229 PolarHBondContact O-N 3.42Å; E226-K229 VanDerWaalsContact O-N 3.09Å; E226-K229 IonicContact OE1-NZ 2.79Å; E226-K229 PolarHBondContact OE1-NZ 3.03Å; M227-K229 VanDerWaalsContact C-N 3.28Å; M227-K229 PolarHBondContact O-N 3.47Å; K229-R232 PolarHBondContact O-N 3.39Å; K229-F233 WeakPolarHBondContact O-CB 3.41Å; K229-F233 PolarHBondContact O-N 2.63Å
230	V	98.8	Very high	98.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-48.3	175.1	176.2	0	0	0	0	110.8	L69 L73 L142 V214 E226 M227 R232 F233 L234	L69-V230 HydrophobicContact CD1-CG2 4.15Å; L73-V230 HydrophobicContact CD1-CG1 3.92Å; L142-V230 HydrophobicContact CD1-CG1 3.95Å; L142-V230 HydrophobicContact CD2-CG1 4.28Å; V214-V230 HydrophobicContact CG2-CG2 3.71Å; E226-V230 WeakPolarHBondContact O-CG2 3.44Å; E226-V230 PolarHBondContact O-N 2.9Å; E226-V230 VanDerWaalsContact O-N 3.11Å; M227-V230 HydrophobicContact CE-CB 4.39Å; M227-V230 HydrophobicContact CE-CG1 4.41Å; M227-V230 WeakPolarHBondContact O-CB 3.1Å; M227-V230 PolarHBondContact O-N 3.26Å; M227-V230 VanDerWaalsContact O-N 3.14Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 3.23Å; V230-F233 PolarHBondContact O-N 2.81Å; V230-L234 HydrophobicContact CG1-CD1 3.8Å; V230-L234 HydrophobicContact CG1-CG 4.4Å; V230-L234 WeakPolarHBondContact O-CB 3.39Å; V230-L234 VanDerWaalsContact O-CG 3.32Å; V230-L234 WeakPolarHBondContact O-CG 3.34Å; V230-L234 PolarHBondContact O-N 3.37Å
231	E	98.8	Very high	98.2	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-54.6	-49.4	175.4	-72.4	-179.5	143	0	0	111.1	H76 M227 K228 F233 L234 K235 L236 P238 Q239 I240	H76-E231 IonicContact CD2-OE1 3.2Å; M227-E231 PolarHBondContact O-N 2.87Å; K228-E231 WeakPolarHBondContact CD-OE2 3.27Å; K228-E231 IonicContact NZ-OE2 3.77Å; K228-E231 PolarHBondContact NZ-OE2 3.28Å; E231-F233 PolarHBondContact O-N 3.35Å; E231-L234 CarbonylContact O-C 3.55Å; E231-L234 PolarHBondContact O-N 2.98Å; E231-K235 PolarHBondContact O-N 3.27Å; E231-L236 HydrophobicContact CB-CB 4.31Å; E231-L236 PolarHBondContact O-N 3.17Å; E231-P238 WeakPolarHBondContact OE2-CA 3.32Å; E231-Q239 PolarHBondContact OE1-N 3.1Å; E231-Q239 VanDerWaalsContact OE1-N 3.08Å; E231-I240 HydrophobicContact CG-CD1 4.36Å; E231-I240 VanDerWaalsContact OE1-CB 3.32Å; E231-I240 WeakPolarHBondContact OE1-CB 3.45Å; E231-I240 WeakPolarHBondContact OE1-CG1 3.48Å; E231-I240 PolarHBondContact OE1-N 3.38Å
232	R	98.8	Very high	98.3	Very high	194 Å²	194	57.1 Å²	57.1	73%	0.732	28%	0.284	S	S	*	.	H	α-helix	trans	-60.6	-44.4	178.9	-172.3	-174.9	-57.3	162.4	2.6	112.8	K228 K229 V230 L234 K235	K228-R232 PolarHBondContact O-N 3.27Å; K229-R232 PolarHBondContact O-N 3.39Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 3.23Å; R232-L234 VanDerWaalsContact C-N 3.28Å; R232-L234 PolarHBondContact O-N 3.12Å; R232-K235 PolarHBondContact O-N 3.36Å; R232-K235 VanDerWaalsContact O-N 3.17Å
233	F	98.8	Very high	98.2	Very high	36 Å²	36	56.6 Å²	56.6	16%	0.158	29%	0.286	C	S	.	.	H	α-helix	trans	-61.9	-38.9	178.5	169.2	-104.9	0	0	0	112.1	K140 L142 E209 S210 H212 K229 V230 E231 K235	K140-F233 HydrophobicContact CB-CE1 3.89Å; K140-F233 HydrophobicContact CB-CZ 4.24Å; K140-F233 HydrophobicContact CD-CE1 4.17Å; K140-F233 HydrophobicContact CD-CE2 4.4Å; K140-F233 HydrophobicContact CD-CZ 3.82Å; K140-F233 HydrophobicContact CG-CE1 4.38Å; K140-F233 HydrophobicContact CG-CZ 4.49Å; L142-F233 HydrophobicContact CD2-CD1 3.71Å; L142-F233 HydrophobicContact CD2-CE1 3.74Å; E209-F233 WeakPolarHBondContact O-CE2 3.26Å; S210-F233 WeakPolarHBondContact O-CZ 3.25Å; H212-F233 HydrophobicContact CB-CB 4.22Å; H212-F233 HydrophobicContact CB-CD1 3.46Å; H212-F233 VanDerWaalsContact CB-CD1 3.46Å; H212-F233 HydrophobicContact CB-CD2 3.7Å; H212-F233 HydrophobicContact CB-CE1 3.57Å; H212-F233 HydrophobicContact CB-CE2 3.79Å; H212-F233 HydrophobicContact CB-CG 3.51Å; H212-F233 HydrophobicContact CB-CZ 3.73Å; H212-F233 AromaticContact CG-CG 3.87Å; K229-F233 WeakPolarHBondContact O-CB 3.41Å; K229-F233 PolarHBondContact O-N 2.63Å; V230-F233 PolarHBondContact O-N 2.81Å; E231-F233 PolarHBondContact O-N 3.35Å; F233-K235 VanDerWaalsContact C-N 3.27Å; F233-K235 PolarHBondContact O-N 3.34Å
234	L	98.5	Very high	98.2	Very high	15 Å²	15	57.4 Å²	57.4	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-82.1	-3	178.4	-63.3	177.2	0	0	0	113.5	I56 L73 K140 V230 E231 R232 L236	I56-L234 HydrophobicContact CD1-CD1 3.59Å; I56-L234 HydrophobicContact CD1-CD2 3.76Å; I56-L234 HydrophobicContact CD1-CG 4.23Å; I56-L234 HydrophobicContact CG1-CD1 4.46Å; I56-L234 HydrophobicContact CG1-CD2 3.75Å; I56-L234 HydrophobicContact CG2-CD2 4.19Å; L73-L234 HydrophobicContact CD1-CD1 3.93Å; L73-L234 HydrophobicContact CD2-CD1 4.04Å; K140-L234 HydrophobicContact CB-CD2 3.84Å; K140-L234 HydrophobicContact CG-CD2 4.29Å; V230-L234 HydrophobicContact CG1-CD1 3.8Å; V230-L234 HydrophobicContact CG1-CG 4.4Å; V230-L234 WeakPolarHBondContact O-CB 3.39Å; V230-L234 VanDerWaalsContact O-CG 3.32Å; V230-L234 WeakPolarHBondContact O-CG 3.34Å; V230-L234 PolarHBondContact O-N 3.37Å; E231-L234 CarbonylContact O-C 3.55Å; E231-L234 PolarHBondContact O-N 2.98Å; R232-L234 VanDerWaalsContact C-N 3.28Å; R232-L234 PolarHBondContact O-N 3.12Å; L234-L236 HydrophobicContact CB-CD1 3.95Å; L234-L236 HydrophobicContact CB-CG 3.88Å; L234-L236 HydrophobicContact CD1-CD1 3.94Å; L234-L236 PolarHBondContact O-N 3.09Å
235	K	98.2	Very high	98.2	Very high	183 Å²	183	56.3 Å²	56.3	80%	0.796	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	37.7	-173.8	-52.5	-179.3	178.5	-177.3	0	112.6	E231 R232 F233	E231-K235 PolarHBondContact O-N 3.27Å; R232-K235 PolarHBondContact O-N 3.36Å; R232-K235 VanDerWaalsContact O-N 3.17Å; F233-K235 VanDerWaalsContact C-N 3.27Å; F233-K235 PolarHBondContact O-N 3.34Å
236	L	98.2	Very high	98.2	Very high	22 Å²	22	55.7 Å²	55.7	12%	0.115	28%	0.275	C	S	.	.			trans	-88.4	148.4	173.1	-67.2	173.8	0	0	0	110.3	L73 A78 V79 L114 E231 L234	L73-L236 HydrophobicContact CD1-CD1 4.31Å; A78-L236 HydrophobicContact CB-CD2 4.12Å; V79-L236 HydrophobicContact CG2-CD1 3.6Å; V79-L236 HydrophobicContact CG2-CD2 4.46Å; L114-L236 HydrophobicContact CD1-CD2 3.88Å; L114-L236 HydrophobicContact CD1-CG 4.49Å; E231-L236 HydrophobicContact CB-CB 4.31Å; E231-L236 PolarHBondContact O-N 3.17Å; L234-L236 HydrophobicContact CB-CD1 3.95Å; L234-L236 HydrophobicContact CB-CG 3.88Å; L234-L236 HydrophobicContact CD1-CD1 3.94Å; L234-L236 PolarHBondContact O-N 3.09Å
237	E	97.8	Very high	98.1	Very high	138 Å²	138	60.7 Å²	60.7	65%	0.645	30%	0.297	S	S	*	.			trans	-61.4	148.3	169.6	-70.8	-56.6	136.3	0	0	110.8	H76 Q239	H76-E237 PolarHBondContact CD2-O 3.23Å; H76-E237 PolarHBondContact NE2-O 2.83Å; E237-Q239 VanDerWaalsContact C-N 3.28Å; E237-Q239 HydrophobicContact CB-CG 4.43Å; E237-Q239 PolarHBondContact O-N 3.07Å
238	P	97.4	Very high	98.1	Very high	88 Å²	88	62.7 Å²	62.7	57%	0.571	31%	0.307	S	S	*	.	S	Bend	trans	-78.5	68.2	-172.2	32.4	-36.3	0	0	0	112.8	K228 E231	K228-P238 VanDerWaalsContact NZ-C 3.31Å; K228-P238 PolarHBondContact NZ-O 3.08Å; K228-P238 VanDerWaalsContact NZ-O 3.14Å; E231-P238 WeakPolarHBondContact OE2-CA 3.32Å
239	Q	97.6	Very high	97.9	Very high	84 Å²	84	68.7 Å²	68.7	39%	0.393	33%	0.334	S	S	.	.			trans	-83.2	-37.8	-175.5	-62.3	-174.5	0.2	0	0	114.3	H76 S77 E231 E237 N241	H76-Q239 WeakPolarHBondContact NE2-CG 3.44Å; S77-Q239 VanDerWaalsContact N-OE1 3.14Å; S77-Q239 VanDerWaalsContact OG-CD 3.31Å; S77-Q239 PolarHBondContact OG-NE2 2.8Å; S77-Q239 VanDerWaalsContact OG-NE2 3.16Å; S77-Q239 PolarHBondContact OG-OE1 2.65Å; E231-Q239 PolarHBondContact OE1-N 3.1Å; E231-Q239 VanDerWaalsContact OE1-N 3.08Å; E237-Q239 VanDerWaalsContact C-N 3.28Å; E237-Q239 HydrophobicContact CB-CG 4.43Å; E237-Q239 PolarHBondContact O-N 3.07Å; Q239-N241 PolarHBondContact O-N 3.14Å; Q239-N241 PolarHBondContact O-ND2 2.95Å
240	I	97.9	Very high	97.6	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.362	C	S	.	.			trans	-67.4	127.3	-177.9	-64.4	171.5	0	0	0	109.4	M72 L75 H76 L224 M227 K228 E231 F245	M72-I240 WeakPolarHBondContact O-CD1 3Å; L75-I240 HydrophobicContact CB-CD1 4.49Å; L75-I240 HydrophobicContact CB-CG1 4.16Å; H76-I240 HydrophobicContact CB-CD1 4.24Å; H76-I240 HydrophobicContact CB-CG1 4.3Å; L224-I240 HydrophobicContact CD1-CG2 4.32Å; M227-I240 HydrophobicContact CB-CG2 4.28Å; M227-I240 HydrophobicContact CE-CD1 3.88Å; K228-I240 WeakPolarHBondContact CE-O 3.45Å; K228-I240 PolarHBondContact NZ-O 3.02Å; E231-I240 HydrophobicContact CG-CD1 4.36Å; E231-I240 VanDerWaalsContact OE1-CB 3.32Å; E231-I240 WeakPolarHBondContact OE1-CB 3.45Å; E231-I240 WeakPolarHBondContact OE1-CG1 3.48Å; E231-I240 PolarHBondContact OE1-N 3.38Å; I240-F245 HydrophobicContact CG2-CE2 3.54Å; I240-F245 HydrophobicContact CG2-CZ 3.62Å
241	N	97.7	Very high	97.4	Very high	68 Å²	68	74.7 Å²	74.7	36%	0.364	37%	0.372	S	S	.	.			trans	-136.6	175.9	-174.2	65.1	72.3	0	0	0	112.6	Q239 S243 N244 F245	Q239-N241 PolarHBondContact O-N 3.14Å; Q239-N241 PolarHBondContact O-ND2 2.95Å; N241-S243 PolarHBondContact O-N 3.09Å; N241-S243 VanDerWaalsContact OD1-CB 3.3Å; N241-S243 WeakPolarHBondContact OD1-CB 3.05Å; N241-S243 PolarHBondContact OD1-N 3.44Å; N241-S243 PolarHBondContact OD1-OG 2.82Å; N241-N244 PolarHBondContact N-OD1 2.82Å; N241-N244 PolarHBondContact ND2-OD1 2.82Å; N241-N244 WeakPolarHBondContact O-CB 3.32Å; N241-N244 PolarHBondContact O-N 2.92Å; N241-N244 VanDerWaalsContact O-N 3.11Å; N241-N244 PolarHBondContact O-OD1 3.46Å; N241-F245 WeakPolarHBondContact O-CD2 3.38Å; N241-F245 WeakPolarHBondContact O-CE2 3.48Å
242	A	97.6	Very high	97.2	Very high	65 Å²	65	76.2 Å²	76.2	54%	0.537	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-59	-31.7	-175.3	0	0	0	0	0	113.1	L224 N244 F245	L224-A242 HydrophobicContact CD2-CB 3.88Å; A242-N244 PolarHBondContact O-N 3.08Å; A242-F245 PolarHBondContact O-N 3.02Å; A242-F245 VanDerWaalsContact O-N 3.12Å; A242-F245 VanDerWaalsContact O-O 3.13Å
243	S	97.1	Very high	97.1	Very high	68 Å²	68	70.1 Å²	70.1	48%	0.476	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-67.7	-20.2	-179.1	77.6	0	0	0	0	113.3	N241 F245 R257	N241-S243 PolarHBondContact O-N 3.09Å; N241-S243 VanDerWaalsContact OD1-CB 3.3Å; N241-S243 WeakPolarHBondContact OD1-CB 3.05Å; N241-S243 PolarHBondContact OD1-N 3.44Å; N241-S243 PolarHBondContact OD1-OG 2.82Å; S243-F245 PolarHBondContact O-N 3.05Å; S243-R257 PolarHBondContact O-NH1 3.28Å; S243-R257 VanDerWaalsContact O-NH1 3.11Å
244	N	98.3	Very high	97	Very high	18 Å²	18	71.6 Å²	71.6	10%	0.096	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-73.6	-11	175.6	-62	116.9	0	0	0	113.4	L75 N241 A242 L256 R257	L75-N244 HydrophobicContact CD1-CB 3.85Å; N241-N244 PolarHBondContact N-OD1 2.82Å; N241-N244 PolarHBondContact ND2-OD1 2.82Å; N241-N244 WeakPolarHBondContact O-CB 3.32Å; N241-N244 PolarHBondContact O-N 2.92Å; N241-N244 VanDerWaalsContact O-N 3.11Å; N241-N244 PolarHBondContact O-OD1 3.46Å; A242-N244 PolarHBondContact O-N 3.08Å; N244-L256 CarbonylContact O-C 3.54Å; N244-L256 WeakPolarHBondContact O-CA 3.08Å; N244-R257 VanDerWaalsContact CA-O 3.31Å; N244-R257 WeakPolarHBondContact CA-O 3.36Å; N244-R257 PolarHBondContact ND2-O 3.27Å; N244-R257 PolarHBondContact O-N 2.94Å
245	F	98.2	Very high	97	Very high	18 Å²	18	71 Å²	71	8%	0.079	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.8	-176.8	-54.4	-80.7	0	0	0	110.7	M72 L75 P223 L224 M227 I240 N241 A242 S243 Y254 L256	M72-F245 HydrophobicContact CB-CE1 4.41Å; M72-F245 HydrophobicContact CE-CD1 4.5Å; M72-F245 HydrophobicContact CE-CE1 4.2Å; M72-F245 HydrophobicContact CG-CE1 3.89Å; M72-F245 HydrophobicContact SD-CE1 4.09Å; L75-F245 HydrophobicContact CD1-CE1 4.38Å; L75-F245 HydrophobicContact CD1-CZ 4.32Å; P223-F245 HydrophobicContact CB-CD1 4Å; P223-F245 HydrophobicContact CB-CE1 3.87Å; P223-F245 HydrophobicContact CB-CZ 4.4Å; P223-F245 HydrophobicContact CG-CB 4.23Å; P223-F245 HydrophobicContact CG-CD1 3.5Å; P223-F245 HydrophobicContact CG-CD2 4.45Å; P223-F245 HydrophobicContact CG-CE1 3.91Å; P223-F245 HydrophobicContact CG-CG 3.81Å; L224-F245 HydrophobicContact CB-CD2 4.2Å; L224-F245 HydrophobicContact CB-CE2 4.1Å; L224-F245 HydrophobicContact CD1-CE2 3.99Å; M227-F245 HydrophobicContact CG-CZ 4.11Å; I240-F245 HydrophobicContact CG2-CE2 3.54Å; I240-F245 HydrophobicContact CG2-CZ 3.62Å; N241-F245 WeakPolarHBondContact O-CD2 3.38Å; N241-F245 WeakPolarHBondContact O-CE2 3.48Å; A242-F245 PolarHBondContact O-N 3.02Å; A242-F245 VanDerWaalsContact O-N 3.12Å; A242-F245 VanDerWaalsContact O-O 3.13Å; S243-F245 PolarHBondContact O-N 3.05Å; F245-Y254 HydrophobicContact CB-CD1 3.96Å; F245-L256 HydrophobicContact CD1-CD2 3.93Å; F245-L256 HydrophobicContact CE1-CD2 3.93Å
246	Y	97.6	Very high	97	Very high	44 Å²	44	62.4 Å²	62.4	17%	0.173	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.7	170	71	-78.1	0	0	0	109.9	N248 Y254 C255 R257 E262	Y246-N248 HydrophobicContact CE2-CB 4.26Å; Y246-N248 PolarHBondContact O-N 3.03Å; Y246-Y254 WeakPolarHBondContact O-CA 3.28Å; Y246-C255 HydrophobicContact CD1-CB 4.08Å; Y246-C255 WeakPolarHBondContact CD1-O 3.42Å; Y246-C255 HydrophobicContact CD2-CB 4.48Å; Y246-C255 HydrophobicContact CE1-CB 3.42Å; Y246-C255 VanDerWaalsContact CE1-CB 3.42Å; Y246-C255 HydrophobicContact CE2-CB 3.92Å; Y246-C255 PolarHBondContact N-O 2.9Å; Y246-C255 VanDerWaalsContact N-O 3.09Å; Y246-C255 PolarHBondContact O-N 2.91Å; Y246-C255 WeakPolarHBondContact OH-CB 3.14Å; Y246-R257 HydrophobicContact CD1-CB 4.36Å; Y246-E262 HydrophobicContact CE1-CB 4.04Å; Y246-E262 HydrophobicContact CE1-CG 4.08Å
247	F	97.6	Very high	96.9	Very high	105 Å²	105	65.4 Å²	65.4	46%	0.461	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.5	179.4	-170.9	-96.8	0	0	0	110.3	K249 Y254	F247-K249 HydrophobicContact CD1-CG 4.37Å; F247-K249 HydrophobicContact CE1-CG 4.48Å; F247-Y254 HydrophobicContact CB-CD1 4.28Å; F247-Y254 HydrophobicContact CB-CE1 4.09Å; F247-Y254 AromaticContact CD2-CD2 3.87Å; F247-Y254 HydrophobicContact CD2-CD2 3.87Å; F247-Y254 AromaticContact CD2-CE2 3.83Å; F247-Y254 HydrophobicContact CD2-CE2 3.83Å; F247-Y254 HydrophobicContact CD2-CG 4.28Å
248	N	97.3	Very high	96.8	Very high	42 Å²	42	61.4 Å²	61.4	23%	0.225	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.8	176.6	-176.4	-47.5	0	0	0	109.5	Y246 T250 K251 G252 F253 C255	Y246-N248 HydrophobicContact CE2-CB 4.26Å; Y246-N248 PolarHBondContact O-N 3.03Å; N248-T250 VanDerWaalsContact C-N 3.33Å; N248-T250 PolarHBondContact O-N 3.22Å; N248-T250 WeakPolarHBondContact OD1-CB 3.36Å; N248-T250 PolarHBondContact OD1-N 3.36Å; N248-K251 HydrophobicContact CB-CB 3.88Å; N248-K251 PolarHBondContact O-N 2.81Å; N248-K251 PolarHBondContact OD1-N 3.49Å; N248-G252 PolarHBondContact O-N 3.38Å; N248-F253 PolarHBondContact N-O 2.87Å; N248-C255 HydrophobicContact CB-CB 4.47Å; N248-C255 WeakPolarHBondContact CB-SG 3.32Å
249	K	95.4	Very high	96.4	Very high	188 Å²	188	65.7 Å²	65.7	82%	0.817	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-39.4	-177.8	-67.3	-176.1	-179.6	179.1	0	113	F247 G252	F247-K249 HydrophobicContact CD1-CG 4.37Å; F247-K249 HydrophobicContact CE1-CG 4.48Å; K249-G252 PolarHBondContact O-N 3.37Å
250	T	93.4	Very high	95.9	Very high	143 Å²	143	65.2 Å²	65.2	88%	0.877	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-40.4	178.2	-52.8	0	0	0	0	111.4	N248	N248-T250 VanDerWaalsContact C-N 3.33Å; N248-T250 PolarHBondContact O-N 3.22Å; N248-T250 WeakPolarHBondContact OD1-CB 3.36Å; N248-T250 PolarHBondContact OD1-N 3.36Å
251	K	93.2	Very high	95.7	Very high	46 Å²	46	74.8 Å²	74.8	20%	0.2	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-33.3	176	-169.6	68.1	-172.6	-167.9	0	111.7	N248 F253 C264 L265 H266 D267 K269	N248-K251 HydrophobicContact CB-CB 3.88Å; N248-K251 PolarHBondContact O-N 2.81Å; N248-K251 PolarHBondContact OD1-N 3.49Å; K251-F253 VanDerWaalsContact C-N 3.29Å; K251-F253 HydrophobicContact CG-CB 4.22Å; K251-F253 HydrophobicContact CG-CD2 4.34Å; K251-F253 VanDerWaalsContact O-CD2 3.27Å; K251-F253 WeakPolarHBondContact O-CD2 3.38Å; K251-C264 HydrophobicContact CD-CB 4.5Å; K251-C264 HydrophobicContact CG-CB 4.5Å; K251-L265 WeakPolarHBondContact CE-O 3.3Å; K251-L265 PolarHBondContact NZ-O 3.45Å; K251-H266 PolarHBondContact NZ-O 3.43Å; K251-D267 IonicContact NZ-OD1 2.85Å; K251-D267 PolarHBondContact NZ-OD1 2.96Å; K251-K269 WeakPolarHBondContact CE-O 3.47Å; K251-K269 PolarHBondContact NZ-O 3.09Å
252	G	94.8	Very high	95.7	Very high	36 Å²	36	76.7 Å²	76.7	37%	0.371	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	14.5	-171.8	0	0	0	0	0	113.9	N248 K249	N248-G252 PolarHBondContact O-N 3.38Å; K249-G252 PolarHBondContact O-N 3.37Å
253	F	96.6	Very high	95.6	Very high	66 Å²	66	78.4 Å²	78.4	29%	0.289	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.6	-177.2	-67	-84.6	0	0	0	111.1	I220 N248 K251	I220-F253 HydrophobicContact CG2-CD1 4.06Å; I220-F253 HydrophobicContact CG2-CE1 3.87Å; N248-F253 PolarHBondContact N-O 2.87Å; K251-F253 VanDerWaalsContact C-N 3.29Å; K251-F253 HydrophobicContact CG-CB 4.22Å; K251-F253 HydrophobicContact CG-CD2 4.34Å; K251-F253 VanDerWaalsContact O-CD2 3.27Å; K251-F253 WeakPolarHBondContact O-CD2 3.38Å
254	Y	97.7	Very high	95.6	Very high	67 Å²	67	77.3 Å²	77.3	26%	0.263	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.7	166.9	-76.2	-89.7	0	0	0	111.6	K221 P223 F245 Y246 F247	K221-Y254 WeakPolarHBondContact O-CE2 3.36Å; P223-Y254 HydrophobicContact CG-CD1 4.11Å; P223-Y254 HydrophobicContact CG-CD2 4.16Å; P223-Y254 HydrophobicContact CG-CG 3.86Å; F245-Y254 HydrophobicContact CB-CD1 3.96Å; Y246-Y254 WeakPolarHBondContact O-CA 3.28Å; F247-Y254 HydrophobicContact CB-CD1 4.28Å; F247-Y254 HydrophobicContact CB-CE1 4.09Å; F247-Y254 AromaticContact CD2-CD2 3.87Å; F247-Y254 HydrophobicContact CD2-CD2 3.87Å; F247-Y254 AromaticContact CD2-CE2 3.83Å; F247-Y254 HydrophobicContact CD2-CE2 3.83Å; F247-Y254 HydrophobicContact CD2-CG 4.28Å
255	C	97.9	Very high	95.5	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.007	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	167.3	171.8	-60.8	0	0	0	0	109.5	Y246 N248 R263 C264	Y246-C255 HydrophobicContact CD1-CB 4.08Å; Y246-C255 WeakPolarHBondContact CD1-O 3.42Å; Y246-C255 HydrophobicContact CD2-CB 4.48Å; Y246-C255 HydrophobicContact CE1-CB 3.42Å; Y246-C255 VanDerWaalsContact CE1-CB 3.42Å; Y246-C255 HydrophobicContact CE2-CB 3.92Å; Y246-C255 PolarHBondContact N-O 2.9Å; Y246-C255 VanDerWaalsContact N-O 3.09Å; Y246-C255 PolarHBondContact O-N 2.91Å; Y246-C255 WeakPolarHBondContact OH-CB 3.14Å; N248-C255 HydrophobicContact CB-CB 4.47Å; N248-C255 WeakPolarHBondContact CB-SG 3.32Å; C255-R263 WeakPolarHBondContact CB-O 3.48Å; C255-C264 HydrophobicContact CB-CB 3.98Å; C255-C264 WeakPolarHBondContact CB-SG 3.42Å; C255-C264 WeakPolarHBondContact SG-CA 3.5Å; C255-C264 WeakPolarHBondContact SG-CB 3.36Å; C255-C264 CovalentContact SG-SG 2.03Å; C255-C264 PolarHBondContact SG-SG 2.94Å
256	L	98.1	Very high	95.3	Very high	4 Å²	4	83.8 Å²	83.8	2%	0.021	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	139.5	-169.9	-50.1	-178.1	0	0	0	110.6	E71 M72 L75 N244 F245 E262 R263	E71-L256 HydrophobicContact CB-CD1 3.77Å; M72-L256 HydrophobicContact CE-CD2 4.21Å; M72-L256 HydrophobicContact CG-CD1 4.44Å; M72-L256 HydrophobicContact CG-CD2 3.7Å; L75-L256 HydrophobicContact CD1-CD2 4.25Å; N244-L256 CarbonylContact O-C 3.54Å; N244-L256 WeakPolarHBondContact O-CA 3.08Å; F245-L256 HydrophobicContact CD1-CD2 3.93Å; F245-L256 HydrophobicContact CE1-CD2 3.93Å; L256-E262 WeakPolarHBondContact O-CA 3.02Å; L256-R263 HydrophobicContact CB-CG 4.25Å; L256-R263 PolarHBondContact N-O 3.44Å; L256-R263 PolarHBondContact O-N 2.03Å
257	R	97.1	Very high	94.9	Very high	84 Å²	84	87.7 Å²	87.7	32%	0.317	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.3	170.2	-173.7	-177.2	-62.3	127.1	-6.2	109.3	S243 N244 Y246 R261 E262	S243-R257 PolarHBondContact O-NH1 3.28Å; S243-R257 VanDerWaalsContact O-NH1 3.11Å; N244-R257 VanDerWaalsContact CA-O 3.31Å; N244-R257 WeakPolarHBondContact CA-O 3.36Å; N244-R257 PolarHBondContact ND2-O 3.27Å; N244-R257 PolarHBondContact O-N 2.94Å; Y246-R257 HydrophobicContact CD1-CB 4.36Å; R257-R261 WeakPolarHBondContact CA-O 3.5Å; R257-E262 HydrophobicContact CB-CG 4.36Å; R257-E262 HydrophobicContact CG-CG 4.07Å; R257-E262 IonicContact CZ-OE1 3.65Å; R257-E262 VanDerWaalsContact CZ-OE1 3.23Å; R257-E262 IonicContact NE-OE1 3.61Å; R257-E262 PolarHBondContact NE-OE1 2.85Å; R257-E262 IonicContact NH2-OE1 2.69Å; R257-E262 PolarHBondContact NH2-OE1 3.47Å
258	D	93.7	Very high	94.5	Very high	54 Å²	54	83.7 Å²	83.7	29%	0.289	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	127.1	180	-173.5	31	0	0	0	110.8	L75 G260 R261	L75-D258 HydrophobicContact CD2-CB 3.71Å; D258-G260 PolarHBondContact O-N 3.41Å; D258-G260 VanDerWaalsContact O-N 3.09Å; D258-R261 PolarHBondContact N-O 3Å; D258-R261 WeakPolarHBondContact O-CA 3.39Å; D258-R261 WeakPolarHBondContact O-CB 3.4Å; D258-R261 PolarHBondContact O-N 2.8Å
259	H	89.1	Confident	94.4	Very high	178 Å²	178	84.6 Å²	84.6	82%	0.824	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	44.6	-177.7	-63.2	-71.5	0	0	0	114.6	R261	H259-R261 PolarHBondContact O-N 3.19Å
260	G	88.2	Confident	94.2	Very high	75 Å²	75	77.6 Å²	77.6	77%	0.773	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-2	-179.2	0	0	0	0	0	115.3	D258	D258-G260 PolarHBondContact O-N 3.41Å; D258-G260 VanDerWaalsContact O-N 3.09Å
261	R	94.1	Very high	94.2	Very high	201 Å²	201	72.9 Å²	72.9	76%	0.758	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	130.9	174	-61.6	-179.2	179.9	177.7	0.4	110.2	R257 D258 H259	R257-R261 WeakPolarHBondContact CA-O 3.5Å; D258-R261 PolarHBondContact N-O 3Å; D258-R261 WeakPolarHBondContact O-CA 3.39Å; D258-R261 WeakPolarHBondContact O-CB 3.4Å; D258-R261 PolarHBondContact O-N 2.8Å; H259-R261 PolarHBondContact O-N 3.19Å
262	E	96.3	Very high	94.2	Very high	107 Å²	107	74.2 Å²	74.2	50%	0.5	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.6	175.2	-68.1	-168.1	167.7	0	0	110.4	Y246 L256 R257	Y246-E262 HydrophobicContact CE1-CB 4.04Å; Y246-E262 HydrophobicContact CE1-CG 4.08Å; L256-E262 WeakPolarHBondContact O-CA 3.02Å; R257-E262 HydrophobicContact CB-CG 4.36Å; R257-E262 HydrophobicContact CG-CG 4.07Å; R257-E262 IonicContact CZ-OE1 3.65Å; R257-E262 VanDerWaalsContact CZ-OE1 3.23Å; R257-E262 IonicContact NE-OE1 3.61Å; R257-E262 PolarHBondContact NE-OE1 2.85Å; R257-E262 IonicContact NH2-OE1 2.69Å; R257-E262 PolarHBondContact NH2-OE1 3.47Å
263	R	96.6	Very high	94.2	Very high	102 Å²	102	75.2 Å²	75.2	39%	0.385	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.4	178.2	66.6	-168.2	-172.6	100.8	-0.1	111.9	E71 C255 L256	E71-R263 IonicContact OE2-CZ 2.85Å; E71-R263 IonicContact OE2-NH1 3.94Å; E71-R263 PolarHBondContact OE2-NH1 3.31Å; E71-R263 IonicContact OE2-NH2 2.78Å; E71-R263 PolarHBondContact OE2-NH2 2.82Å; C255-R263 WeakPolarHBondContact CB-O 3.48Å; L256-R263 HydrophobicContact CB-CG 4.25Å; L256-R263 PolarHBondContact N-O 3.44Å; L256-R263 PolarHBondContact O-N 2.03Å
264	C	97.2	Very high	94	Very high	45 Å²	45	74.1 Å²	74.1	30%	0.304	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-96	161	168.4	-66.5	0	0	0	0	110.7	K251 C255	K251-C264 HydrophobicContact CD-CB 4.5Å; K251-C264 HydrophobicContact CG-CB 4.5Å; C255-C264 HydrophobicContact CB-CB 3.98Å; C255-C264 WeakPolarHBondContact CB-SG 3.42Å; C255-C264 WeakPolarHBondContact SG-CA 3.5Å; C255-C264 WeakPolarHBondContact SG-CB 3.36Å; C255-C264 CovalentContact SG-SG 2.03Å; C255-C264 PolarHBondContact SG-SG 2.94Å
265	L	95.4	Very high	93.9	Very high	37 Å²	37	78.5 Å²	78.5	19%	0.194	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.3	170.2	-59.9	179.7	0	0	0	110.8	R67 A68 E71 K251 K269	R67-L265 HydrophobicContact CG-CD2 4.39Å; A68-L265 HydrophobicContact CB-CD1 3.67Å; E71-L265 HydrophobicContact CB-CD2 4.1Å; E71-L265 HydrophobicContact CG-CD2 3.85Å; K251-L265 WeakPolarHBondContact CE-O 3.3Å; K251-L265 PolarHBondContact NZ-O 3.45Å; L265-K269 HydrophobicContact CB-CB 3.91Å; L265-K269 HydrophobicContact CB-CG 4.02Å; L265-K269 HydrophobicContact CD1-CB 4.35Å
266	H	94.4	Very high	93.8	Very high	135 Å²	135	78.8 Å²	78.8	63%	0.625	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-49.3	154	177.9	-176.4	-92.9	0	0	0	113.3	K251 S268 K269	K251-H266 PolarHBondContact NZ-O 3.43Å; H266-S268 WeakPolarHBondContact ND1-CB 3.23Å; H266-S268 PolarHBondContact ND1-N 2.8Å; H266-S268 VanDerWaalsContact ND1-N 3.12Å; H266-S268 PolarHBondContact ND1-OG 2.89Å; H266-S268 PolarHBondContact O-N 3.15Å; H266-K269 WeakPolarHBondContact O-CB 3.35Å; H266-K269 PolarHBondContact O-N 3.41Å
267	D	89.4	Confident	93.7	Very high	125 Å²	125	80.4 Å²	80.4	67%	0.668	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.9	-175.2	-62.6	-24.5	0	0	0	115.2	K251 K269	K251-D267 IonicContact NZ-OD1 2.85Å; K251-D267 PolarHBondContact NZ-OD1 2.96Å; D267-K269 PolarHBondContact O-N 3.29Å
268	S	89.5	Confident	93.7	Very high	21 Å²	21	81.1 Å²	81.1	15%	0.147	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.6	168.8	66.9	0	0	0	0	113.7	H266	H266-S268 WeakPolarHBondContact ND1-CB 3.23Å; H266-S268 PolarHBondContact ND1-N 2.8Å; H266-S268 VanDerWaalsContact ND1-N 3.12Å; H266-S268 PolarHBondContact ND1-OG 2.89Å; H266-S268 PolarHBondContact O-N 3.15Å
269	K	94.4	Very high	93.8	Very high	61 Å²	61	82.1 Å²	82.1	27%	0.265	45%	0.454	S	S	.	.	S	Bend	trans	-109.4	132.6	178.7	-46.7	-53.9	174.4	-169.7	0	109.5	R67 K251 L265 H266 D267	R67-K269 HydrophobicContact CB-CD 4.42Å; K251-K269 WeakPolarHBondContact CE-O 3.47Å; K251-K269 PolarHBondContact NZ-O 3.09Å; L265-K269 HydrophobicContact CB-CB 3.91Å; L265-K269 HydrophobicContact CB-CG 4.02Å; L265-K269 HydrophobicContact CD1-CB 4.35Å; H266-K269 WeakPolarHBondContact O-CB 3.35Å; H266-K269 PolarHBondContact O-N 3.41Å; D267-K269 PolarHBondContact O-N 3.29Å
270	G	90.3	Very high	94.2	Very high	41 Å²	41	74.9 Å²	74.9	42%	0.423	42%	0.421	S	S	.	.	S	Bend	trans	83.4	25.6	-178.8	0	0	0	0	0	115.4
271	R	93.3	Very high	94.6	Very high	44 Å²	44	73 Å²	73	17%	0.166	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-68	140	177.9	-65.6	-178.6	175	159.3	-7	111.4	T157 Q158 Y161 H273	T157-R271 HydrophobicContact CG2-CB 3.84Å; Q158-R271 VanDerWaalsContact NE2-NH1 3.11Å; Y161-R271 VanDerWaalsContact CD2-CD 3.47Å; Y161-R271 HydrophobicContact CE2-CB 4.13Å; Y161-R271 HydrophobicContact CE2-CG 4.38Å; R271-H273 PolarHBondContact O-N 3.12Å
272	A	93.7	Very high	94.7	Very high	75 Å²	75	68.1 Å²	68.1	62%	0.62	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-56.2	136.3	174.3	0	0	0	0	0	111.2	T157	T157-A272 VanDerWaalsContact CG2-O 3.32Å; T157-A272 WeakPolarHBondContact CG2-O 3.35Å
273	H	95.4	Very high	94.8	Very high	57 Å²	57	65.9 Å²	65.9	26%	0.264	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-78.2	148.4	174.2	-66	176.3	0	0	0	109.6	E150 L153 S154 R271	E150-H273 PolarHBondContact O-CE1 3.36Å; E150-H273 IonicContact OE2-CE1 2.64Å; E150-H273 PolarHBondContact OE2-CE1 2.94Å; E150-H273 IonicContact OE2-ND1 3.48Å; E150-H273 PolarHBondContact OE2-ND1 3.44Å; L153-H273 HydrophobicContact CB-CB 4.33Å; S154-H273 WeakPolarHBondContact CB-NE2 3.39Å; R271-H273 PolarHBondContact O-N 3.12Å
274	P	92.8	Very high	94.8	Very high	42 Å²	42	61 Å²	61	27%	0.273	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-63.1	152.8	173.6	29.8	-36.9	0	0	0	110.2	Y156 T157 I173 V276	Y156-P274 HydrophobicContact CD1-CG 3.88Å; Y156-P274 HydrophobicContact CE1-CB 4.49Å; Y156-P274 HydrophobicContact CE1-CG 3.96Å; T157-P274 WeakPolarHBondContact OG1-CD 3.41Å; I173-P274 HydrophobicContact CB-CG 4.25Å; I173-P274 HydrophobicContact CD1-CG 3.54Å; I173-P274 HydrophobicContact CG1-CG 4.47Å; I173-P274 HydrophobicContact CG2-CB 4.26Å; I173-P274 HydrophobicContact CG2-CG 4.09Å; P274-V276 HydrophobicContact CG-CG2 4.49Å
275	H	94.8	Very high	94.9	Very high	160 Å²	160	60.2 Å²	60.2	74%	0.741	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-64.6	137.5	163.9	-172.6	73	0	0	0	109
276	V	95.8	Very high	95	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.042	36%	0.358	C	S	.	.			trans	-131.7	135.2	177.5	-176.9	0	0	0	0	107.4	L153 I173 L177 P274 I280 L281	L153-V276 HydrophobicContact CD2-CG2 3.77Å; I173-V276 HydrophobicContact CD1-CG2 3.9Å; I173-V276 HydrophobicContact CG2-CG2 3.78Å; L177-V276 HydrophobicContact CD1-CG1 4.38Å; P274-V276 HydrophobicContact CG-CG2 4.49Å; V276-I280 HydrophobicContact CG1-CB 3.9Å; V276-I280 HydrophobicContact CG1-CG2 3.83Å; V276-L281 HydrophobicContact CB-CD1 4.37Å; V276-L281 HydrophobicContact CB-CD2 3.94Å; V276-L281 HydrophobicContact CB-CG 3.96Å; V276-L281 HydrophobicContact CG1-CD2 4Å; V276-L281 HydrophobicContact CG1-CG 3.95Å; V276-L281 HydrophobicContact CG2-CD2 4.47Å
277	A	95.9	Very high	95.1	Very high	38 Å²	38	60.5 Å²	60.5	31%	0.314	34%	0.34	S	S	.	.			trans	-53.5	134.1	178.5	0	0	0	0	0	111.4	A279 I280 L281	A277-A279 PolarHBondContact O-N 3.38Å; A277-A279 VanDerWaalsContact O-N 3.12Å; A277-I280 HydrophobicContact CB-CD1 4.19Å; A277-I280 HydrophobicContact CB-CG1 4.31Å; A277-I280 PolarHBondContact O-N 2.59Å; A277-L281 PolarHBondContact O-N 3.19Å
278	P	97.1	Very high	95.6	Very high	99 Å²	99	54.6 Å²	54.6	64%	0.643	31%	0.309	S	S	*	.	H	α-helix	trans	-53.7	-36.2	-177.8	-29.9	35.7	0	0	0	114.3	I280 L281 Q282	P278-I280 VanDerWaalsContact C-N 3.31Å; P278-I280 PolarHBondContact O-N 3Å; P278-L281 PolarHBondContact O-N 3.2Å; P278-Q282 WeakPolarHBondContact O-CB 3.4Å; P278-Q282 PolarHBondContact O-N 3.12Å
279	A	96.6	Very high	96	Very high	74 Å²	74	57.4 Å²	57.4	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-62.2	-35.9	177	0	0	0	0	0	112.9	A277 K283	A277-A279 PolarHBondContact O-N 3.38Å; A277-A279 VanDerWaalsContact O-N 3.12Å; A279-K283 PolarHBondContact O-N 3.16Å; A279-K283 VanDerWaalsContact O-N 3.15Å
280	I	96.3	Very high	96.2	Very high	26 Å²	26	59.8 Å²	59.8	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-74.6	-40.7	177.8	-62.3	175.8	0	0	0	110.3	E174 L177 V178 V276 A277 P278 Q282 K283 L284	E174-I280 HydrophobicContact CB-CD1 3.8Å; E174-I280 HydrophobicContact CG-CD1 3.5Å; E174-I280 VanDerWaalsContact CG-CD1 3.5Å; L177-I280 HydrophobicContact CB-CG2 4.28Å; L177-I280 HydrophobicContact CD1-CG2 3.97Å; V178-I280 HydrophobicContact CG2-CB 4.5Å; V178-I280 HydrophobicContact CG2-CD1 4.1Å; V178-I280 HydrophobicContact CG2-CG1 4Å; V178-I280 HydrophobicContact CG2-CG2 3.84Å; V276-I280 HydrophobicContact CG1-CB 3.9Å; V276-I280 HydrophobicContact CG1-CG2 3.83Å; A277-I280 HydrophobicContact CB-CD1 4.19Å; A277-I280 HydrophobicContact CB-CG1 4.31Å; A277-I280 PolarHBondContact O-N 2.59Å; P278-I280 VanDerWaalsContact C-N 3.31Å; P278-I280 PolarHBondContact O-N 3Å; I280-Q282 VanDerWaalsContact C-N 3.3Å; I280-Q282 PolarHBondContact O-N 3.24Å; I280-K283 PolarHBondContact O-N 2.63Å; I280-L284 PolarHBondContact O-N 3.3Å
281	L	97.2	Very high	96.6	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.188	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-43	173.5	-69.4	176.3	0	0	0	111.4	T149 L153 V276 A277 P278 K283 L284 Y285	T149-L281 HydrophobicContact CG2-CD2 4.09Å; L153-L281 HydrophobicContact CD1-CD2 4.17Å; V276-L281 HydrophobicContact CB-CD1 4.37Å; V276-L281 HydrophobicContact CB-CD2 3.94Å; V276-L281 HydrophobicContact CB-CG 3.96Å; V276-L281 HydrophobicContact CG1-CD2 4Å; V276-L281 HydrophobicContact CG1-CG 3.95Å; V276-L281 HydrophobicContact CG2-CD2 4.47Å; A277-L281 PolarHBondContact O-N 3.19Å; P278-L281 PolarHBondContact O-N 3.2Å; L281-K283 VanDerWaalsContact C-N 3.33Å; L281-K283 PolarHBondContact O-N 3.39Å; L281-L284 WeakPolarHBondContact O-CB 3.29Å; L281-L284 PolarHBondContact O-N 3.06Å; L281-L284 VanDerWaalsContact O-N 3.08Å; L281-Y285 HydrophobicContact CB-CE2 3.99Å; L281-Y285 WeakPolarHBondContact O-CD2 3.39Å; L281-Y285 PolarHBondContact O-N 3.11Å
282	Q	97.3	Very high	96.8	Very high	98 Å²	98	57 Å²	57	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-41.8	176.6	-171.6	59.5	30.6	0	0	112.1	P278 I280 L284 Y285 Q286	P278-Q282 WeakPolarHBondContact O-CB 3.4Å; P278-Q282 PolarHBondContact O-N 3.12Å; I280-Q282 VanDerWaalsContact C-N 3.3Å; I280-Q282 PolarHBondContact O-N 3.24Å; Q282-L284 VanDerWaalsContact C-N 3.31Å; Q282-L284 PolarHBondContact O-N 3.38Å; Q282-Y285 PolarHBondContact O-N 3.09Å; Q282-Q286 WeakPolarHBondContact O-CB 3.3Å; Q282-Q286 WeakPolarHBondContact O-CG 3.48Å; Q282-Q286 PolarHBondContact O-N 2.79Å
283	K	97	Very high	97.1	Very high	60 Å²	60	57.8 Å²	57.8	26%	0.261	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-39.1	173.1	-76.3	-175.7	169.1	-117.2	0	112.1	G181 E182 I183 A279 I280 L281 F287	G181-K283 PolarHBondContact O-NZ 2.87Å; E182-K283 IonicContact OE1-NZ 3.71Å; E182-K283 PolarHBondContact OE1-NZ 2.78Å; E182-K283 IonicContact OE2-NZ 3.24Å; E182-K283 PolarHBondContact OE2-NZ 3.15Å; I183-K283 HydrophobicContact CD1-CB 3.72Å; I183-K283 HydrophobicContact CG1-CB 4Å; A279-K283 PolarHBondContact O-N 3.16Å; A279-K283 VanDerWaalsContact O-N 3.15Å; I280-K283 PolarHBondContact O-N 2.63Å; L281-K283 VanDerWaalsContact C-N 3.33Å; L281-K283 PolarHBondContact O-N 3.39Å; K283-F287 VanDerWaalsContact O-CB 3.26Å; K283-F287 WeakPolarHBondContact O-CB 3.43Å; K283-F287 PolarHBondContact O-N 3.05Å
284	L	97.4	Very high	97.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-44.8	176	-71.4	177.4	0	0	0	112.7	T149 L177 I183 L190 I280 L281 Q282 Q286 F287 F288	T149-L284 HydrophobicContact CG2-CB 4.02Å; T149-L284 HydrophobicContact CG2-CD1 3.92Å; L177-L284 HydrophobicContact CD1-CD1 3.92Å; L177-L284 HydrophobicContact CD2-CD1 4.23Å; L177-L284 HydrophobicContact CD2-CD2 4.35Å; I183-L284 HydrophobicContact CD1-CD2 3.72Å; I183-L284 HydrophobicContact CD1-CG 4.12Å; L190-L284 HydrophobicContact CD2-CD2 3.58Å; I280-L284 PolarHBondContact O-N 3.3Å; L281-L284 WeakPolarHBondContact O-CB 3.29Å; L281-L284 PolarHBondContact O-N 3.06Å; L281-L284 VanDerWaalsContact O-N 3.08Å; Q282-L284 VanDerWaalsContact C-N 3.31Å; Q282-L284 PolarHBondContact O-N 3.38Å; L284-Q286 VanDerWaalsContact C-N 3.35Å; L284-Q286 PolarHBondContact O-N 3.11Å; L284-F287 WeakPolarHBondContact O-CB 3.37Å; L284-F287 PolarHBondContact O-N 3.15Å; L284-F288 HydrophobicContact CD2-CE2 4.31Å; L284-F288 WeakPolarHBondContact O-CD2 3.29Å; L284-F288 PolarHBondContact O-N 2.82Å
285	Y	98	Very high	97.5	Very high	28 Å²	28	58 Å²	58	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-46.8	176	-60.3	-43.5	0	0	0	111.1	T149 L281 Q282 F287 F288 H289 K306	T149-Y285 HydrophobicContact CG2-CD1 4.15Å; T149-Y285 HydrophobicContact CG2-CE1 3.6Å; T149-Y285 WeakPolarHBondContact OG1-CD1 3.46Å; L281-Y285 HydrophobicContact CB-CE2 3.99Å; L281-Y285 WeakPolarHBondContact O-CD2 3.39Å; L281-Y285 PolarHBondContact O-N 3.11Å; Q282-Y285 PolarHBondContact O-N 3.09Å; Y285-F287 VanDerWaalsContact C-N 3.34Å; Y285-F287 PolarHBondContact O-N 3.41Å; Y285-F288 PolarHBondContact O-N 2.93Å; Y285-H289 PolarHBondContact O-N 3.01Å; Y285-K306 HydrophobicContact CD1-CB 3.45Å; Y285-K306 VanDerWaalsContact CD1-CB 3.45Å; Y285-K306 HydrophobicContact CD1-CD 4.42Å; Y285-K306 HydrophobicContact CD2-CB 4.44Å; Y285-K306 HydrophobicContact CE1-CB 3.56Å; Y285-K306 HydrophobicContact CE1-CD 3.8Å; Y285-K306 HydrophobicContact CE1-CG 4.31Å; Y285-K306 HydrophobicContact CE2-CD 3.97Å; Y285-K306 HydrophobicContact CG-CB 3.96Å
286	Q	97.6	Very high	97.7	Very high	122 Å²	122	52.1 Å²	52.1	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-60.5	-42.4	175.4	-72.9	172.2	-12.9	0	0	112.4	Q282 L284 F288 H289	Q282-Q286 WeakPolarHBondContact O-CB 3.3Å; Q282-Q286 WeakPolarHBondContact O-CG 3.48Å; Q282-Q286 PolarHBondContact O-N 2.79Å; L284-Q286 VanDerWaalsContact C-N 3.35Å; L284-Q286 PolarHBondContact O-N 3.11Å; Q286-F288 PolarHBondContact O-N 2.82Å; Q286-H289 PolarHBondContact O-N 3.06Å
287	F	97.9	Very high	97.8	Very high	57 Å²	57	59 Å²	59	25%	0.25	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-42.5	177.4	173.3	-101.5	0	0	0	112.4	I183 L185 L190 L194 K283 L284 Y285 P291	I183-F287 HydrophobicContact CG2-CD2 4.39Å; I183-F287 HydrophobicContact CG2-CG 4.41Å; L185-F287 HydrophobicContact CD2-CD2 4.22Å; L185-F287 HydrophobicContact CD2-CE2 3.37Å; L185-F287 HydrophobicContact CD2-CZ 3.81Å; L190-F287 HydrophobicContact CB-CE1 4.3Å; L190-F287 HydrophobicContact CD2-CE1 4.4Å; L194-F287 HydrophobicContact CD2-CE1 4.03Å; L194-F287 HydrophobicContact CD2-CZ 4.13Å; K283-F287 VanDerWaalsContact O-CB 3.26Å; K283-F287 WeakPolarHBondContact O-CB 3.43Å; K283-F287 PolarHBondContact O-N 3.05Å; L284-F287 WeakPolarHBondContact O-CB 3.37Å; L284-F287 PolarHBondContact O-N 3.15Å; Y285-F287 VanDerWaalsContact C-N 3.34Å; Y285-F287 PolarHBondContact O-N 3.41Å; F287-P291 VanDerWaalsContact O-CD 3.25Å; F287-P291 WeakPolarHBondContact O-CD 3.33Å; F287-P291 WeakPolarHBondContact O-CG 3.36Å
288	F	98.6	Very high	97.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-84.3	-15.5	-178.3	-69.6	-60.1	0	0	0	114.6	P148 V152 L190 L194 L284 Y285 Q286 Q290 P291 N292	P148-F288 HydrophobicContact CB-CB 4.33Å; P148-F288 HydrophobicContact CB-CD1 3.85Å; P148-F288 HydrophobicContact CB-CD2 3.91Å; P148-F288 HydrophobicContact CB-CE1 4.1Å; P148-F288 HydrophobicContact CB-CE2 4.15Å; P148-F288 HydrophobicContact CB-CG 3.77Å; P148-F288 HydrophobicContact CB-CZ 4.24Å; P148-F288 HydrophobicContact CG-CB 3.69Å; P148-F288 HydrophobicContact CG-CD1 4.15Å; P148-F288 HydrophobicContact CG-CD2 3.93Å; P148-F288 HydrophobicContact CG-CG 3.67Å; V152-F288 HydrophobicContact CG2-CE2 4.1Å; V152-F288 HydrophobicContact CG2-CZ 3.89Å; L190-F288 HydrophobicContact CD2-CE2 4.18Å; L190-F288 HydrophobicContact CD2-CZ 3.76Å; L194-F288 HydrophobicContact CD2-CD1 4.23Å; L194-F288 HydrophobicContact CD2-CE1 4.11Å; L284-F288 HydrophobicContact CD2-CE2 4.31Å; L284-F288 WeakPolarHBondContact O-CD2 3.29Å; L284-F288 PolarHBondContact O-N 2.82Å; Y285-F288 PolarHBondContact O-N 2.93Å; Q286-F288 PolarHBondContact O-N 2.82Å; F288-Q290 PolarHBondContact O-N 3.1Å; F288-P291 VanDerWaalsContact O-CD 3.29Å; F288-P291 WeakPolarHBondContact O-CD 3.31Å; F288-N292 VanDerWaalsContact O-CB 3.29Å; F288-N292 WeakPolarHBondContact O-CB 3.35Å; F288-N292 PolarHBondContact O-N 2.67Å; F288-N292 PolarHBondContact O-ND2 2.87Å; F288-N292 PolarHBondContact O-OD1 2.85Å
289	H	98.2	Very high	98	Very high	80 Å²	80	55.8 Å²	55.8	37%	0.37	27%	0.273	S	S	.	.	H	α-helix	trans	-53.8	-51.3	-176.1	177.1	-105.1	0	0	0	113.9	Y285 Q286 N292 K293	Y285-H289 PolarHBondContact O-N 3.01Å; Q286-H289 PolarHBondContact O-N 3.06Å; H289-N292 PolarHBondContact O-N 2.94Å; H289-K293 WeakPolarHBondContact CE1-CE 3.43Å; H289-K293 PolarHBondContact CE1-NZ 2.81Å; H289-K293 VanDerWaalsContact NE2-CE 3.32Å; H289-K293 WeakPolarHBondContact NE2-CE 3.45Å; H289-K293 PolarHBondContact O-N 2.75Å
290	Q	98.4	Very high	98	Very high	112 Å²	112	55.7 Å²	55.7	52%	0.523	28%	0.279	S	S	.	.	H	α-helix	trans	-68.8	-46.5	177.4	-71.6	-66.2	-11.5	0	0	113	F288 N292 K293 K294	F288-Q290 PolarHBondContact O-N 3.1Å; Q290-N292 VanDerWaalsContact C-N 3.25Å; Q290-N292 PolarHBondContact O-N 2.89Å; Q290-K293 PolarHBondContact O-N 2.73Å; Q290-K294 PolarHBondContact O-N 3.09Å; Q290-K294 VanDerWaalsContact O-N 3.12Å
291	P	98.6	Very high	98	Very high	17 Å²	17	58.2 Å²	58.2	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-51.1	-39.2	169.2	-32.5	37.1	0	0	0	115.2	L194 Y196 F287 F288 F295	L194-P291 HydrophobicContact CD2-CB 3.88Å; L194-P291 HydrophobicContact CD2-CG 3.76Å; Y196-P291 HydrophobicContact CD1-CB 3.83Å; Y196-P291 HydrophobicContact CE1-CB 3.7Å; Y196-P291 HydrophobicContact CE1-CG 4.17Å; F287-P291 VanDerWaalsContact O-CD 3.25Å; F287-P291 WeakPolarHBondContact O-CD 3.33Å; F287-P291 WeakPolarHBondContact O-CG 3.36Å; F288-P291 VanDerWaalsContact O-CD 3.29Å; F288-P291 WeakPolarHBondContact O-CD 3.31Å; P291-F295 PolarHBondContact O-N 2.8Å
292	N	98.8	Very high	98.1	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-67.2	-45.7	179.6	-71.3	-11.5	0	0	0	111	F288 H289 Q290 K294 F295 F296 W305	F288-N292 VanDerWaalsContact O-CB 3.29Å; F288-N292 WeakPolarHBondContact O-CB 3.35Å; F288-N292 PolarHBondContact O-N 2.67Å; F288-N292 PolarHBondContact O-ND2 2.87Å; F288-N292 PolarHBondContact O-OD1 2.85Å; H289-N292 PolarHBondContact O-N 2.94Å; Q290-N292 VanDerWaalsContact C-N 3.25Å; Q290-N292 PolarHBondContact O-N 2.89Å; N292-K294 PolarHBondContact O-N 2.68Å; N292-F295 WeakPolarHBondContact O-CB 3.47Å; N292-F295 PolarHBondContact O-N 3.49Å; N292-F295 VanDerWaalsContact O-N 3.11Å; N292-F296 HydrophobicContact CB-CE2 4.13Å; N292-F296 HydrophobicContact CB-CZ 3.97Å; N292-F296 WeakPolarHBondContact O-CD1 3.46Å; N292-F296 WeakPolarHBondContact O-CD2 3.39Å; N292-F296 WeakPolarHBondContact O-CG 3.4Å; N292-F296 PolarHBondContact O-N 3Å; N292-W305 HydrophobicContact CB-CE3 4.42Å
293	K	98.6	Very high	98.1	Very high	91 Å²	91	57.4 Å²	57.4	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-56.5	-48.2	174.6	-72.3	-174.6	176.5	-173	0	112	H289 Q290 F295 F296 E297	H289-K293 WeakPolarHBondContact CE1-CE 3.43Å; H289-K293 PolarHBondContact CE1-NZ 2.81Å; H289-K293 VanDerWaalsContact NE2-CE 3.32Å; H289-K293 WeakPolarHBondContact NE2-CE 3.45Å; H289-K293 PolarHBondContact O-N 2.75Å; Q290-K293 PolarHBondContact O-N 2.73Å; K293-F295 VanDerWaalsContact C-N 3.27Å; K293-F295 PolarHBondContact O-N 2.85Å; K293-F296 PolarHBondContact O-N 2.9Å; K293-F296 VanDerWaalsContact O-N 3.12Å; K293-E297 WeakPolarHBondContact O-CG 3Å; K293-E297 PolarHBondContact O-N 2.86Å
294	K	98.8	Very high	98	Very high	104 Å²	104	62.4 Å²	62.4	45%	0.452	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-41	175.4	-69.6	-177.6	177.9	-173.7	0	112.3	Y196 Q290 N292 L298	Y196-K294 HydrophobicContact CD1-CB 4.34Å; Y196-K294 HydrophobicContact CD2-CB 4.26Å; Y196-K294 HydrophobicContact CD2-CD 4.22Å; Y196-K294 HydrophobicContact CE1-CD 4.47Å; Y196-K294 HydrophobicContact CE2-CD 4.03Å; Y196-K294 HydrophobicContact CG-CB 3.98Å; Q290-K294 PolarHBondContact O-N 3.09Å; Q290-K294 VanDerWaalsContact O-N 3.12Å; N292-K294 PolarHBondContact O-N 2.68Å; K294-L298 VanDerWaalsContact O-CB 3.23Å; K294-L298 WeakPolarHBondContact O-CB 3.45Å; K294-L298 PolarHBondContact O-N 3.17Å
295	F	98.8	Very high	98	Very high	1 Å²	1	63.5 Å²	63.5	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-45.2	176.2	-179.6	-106.3	0	0	0	111.5	L145 M199 V213 P291 N292 K293 E297 L298 V299 F303 W305	L145-F295 HydrophobicContact CD1-CE1 3.58Å; L145-F295 HydrophobicContact CD1-CE2 3.97Å; L145-F295 HydrophobicContact CD1-CZ 3.21Å; M199-F295 HydrophobicContact CB-CD2 4.26Å; M199-F295 HydrophobicContact CB-CE2 3.98Å; M199-F295 HydrophobicContact CG-CE2 4.02Å; V213-F295 HydrophobicContact CG1-CZ 4.39Å; P291-F295 PolarHBondContact O-N 2.8Å; N292-F295 WeakPolarHBondContact O-CB 3.47Å; N292-F295 PolarHBondContact O-N 3.49Å; N292-F295 VanDerWaalsContact O-N 3.11Å; K293-F295 VanDerWaalsContact C-N 3.27Å; K293-F295 PolarHBondContact O-N 2.85Å; F295-E297 PolarHBondContact O-N 3.06Å; F295-L298 WeakPolarHBondContact O-CB 3.13Å; F295-L298 PolarHBondContact O-N 3.27Å; F295-V299 HydrophobicContact CD1-CG2 4.32Å; F295-V299 HydrophobicContact CD2-CG1 4.15Å; F295-V299 HydrophobicContact CE1-CG1 4.37Å; F295-V299 HydrophobicContact CE1-CG2 3.92Å; F295-V299 HydrophobicContact CE2-CG1 3.59Å; F295-V299 HydrophobicContact CZ-CG1 3.7Å; F295-V299 HydrophobicContact CZ-CG2 4.05Å; F295-V299 WeakPolarHBondContact O-CG2 3.07Å; F295-V299 PolarHBondContact O-N 3.41Å; F295-F303 HydrophobicContact CE1-CD2 4.23Å; F295-F303 AromaticContact CE1-CE2 3.75Å; F295-F303 HydrophobicContact CE1-CE2 3.75Å; F295-F303 HydrophobicContact CE1-CZ 4.49Å; F295-W305 AromaticContact CD1-CH2 3.97Å; F295-W305 HydrophobicContact CD1-CH2 3.97Å; F295-W305 AromaticContact CD1-CZ3 3.92Å; F295-W305 HydrophobicContact CD1-CZ3 3.92Å; F295-W305 AromaticContact CE1-CH2 3.91Å; F295-W305 HydrophobicContact CE1-CH2 3.91Å; F295-W305 HydrophobicContact CE1-CZ3 4.34Å
296	F	98.7	Very high	97.6	Very high	35 Å²	35	69.8 Å²	69.8	15%	0.154	35%	0.351	C	S	.	.	H	α-helix	trans	-62.3	-43	-178.9	-58.4	-23.3	0	0	0	112.7	N292 K293 G300 R301 T302 F303 W305	N292-F296 HydrophobicContact CB-CE2 4.13Å; N292-F296 HydrophobicContact CB-CZ 3.97Å; N292-F296 WeakPolarHBondContact O-CD1 3.46Å; N292-F296 WeakPolarHBondContact O-CD2 3.39Å; N292-F296 WeakPolarHBondContact O-CG 3.4Å; N292-F296 PolarHBondContact O-N 3Å; K293-F296 PolarHBondContact O-N 2.9Å; K293-F296 VanDerWaalsContact O-N 3.12Å; F296-G300 WeakPolarHBondContact O-CA 3.44Å; F296-G300 PolarHBondContact O-N 3.37Å; F296-R301 VanDerWaalsContact CA-O 3.26Å; F296-R301 WeakPolarHBondContact CA-O 3.43Å; F296-R301 WeakPolarHBondContact CB-O 3.42Å; F296-R301 WeakPolarHBondContact CD1-O 3.26Å; F296-R301 PolarHBondContact O-N 2.98Å; F296-R301 VanDerWaalsContact O-N 3.13Å; F296-T302 HydrophobicContact CB-CG2 4.17Å; F296-T302 HydrophobicContact CD2-CG2 4.06Å; F296-T302 HydrophobicContact CG-CG2 4.2Å; F296-F303 AromaticContact CD1-CD2 3.92Å; F296-F303 HydrophobicContact CD1-CD2 3.92Å; F296-F303 HydrophobicContact CE1-CB 3.89Å; F296-F303 AromaticContact CE1-CD2 3.67Å; F296-F303 HydrophobicContact CE1-CD2 3.67Å; F296-F303 HydrophobicContact CE1-CG 4.26Å; F296-F303 HydrophobicContact CZ-CB 4.23Å; F296-F303 WeakPolarHBondContact CZ-O 3.45Å; F296-W305 HydrophobicContact CE1-CD2 4.31Å; F296-W305 AromaticContact CE1-CE3 3.59Å; F296-W305 HydrophobicContact CE1-CE3 3.59Å; F296-W305 HydrophobicContact CE1-CH2 4.33Å; F296-W305 AromaticContact CE1-CZ3 3.6Å; F296-W305 HydrophobicContact CE1-CZ3 3.6Å; F296-W305 HydrophobicContact CZ-CD2 4.32Å; F296-W305 AromaticContact CZ-CE3 3.73Å; F296-W305 HydrophobicContact CZ-CE3 3.73Å; F296-W305 HydrophobicContact CZ-CZ3 4.21Å
297	E	98.4	Very high	97.6	Very high	152 Å²	152	67.2 Å²	67.2	71%	0.71	34%	0.34	S	S	*	.	H	α-helix	trans	-60.2	-47.1	173.1	-71.2	166.7	-169.6	0	0	110.7	K293 F295 V299 G300	K293-E297 WeakPolarHBondContact O-CG 3Å; K293-E297 PolarHBondContact O-N 2.86Å; F295-E297 PolarHBondContact O-N 3.06Å; E297-V299 VanDerWaalsContact C-N 3.32Å; E297-V299 PolarHBondContact O-N 3.05Å; E297-G300 PolarHBondContact O-N 2.94Å
298	L	98.4	Very high	97.5	Very high	54 Å²	54	67.7 Å²	67.7	28%	0.283	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-36.6	-178.3	-176.6	66.5	0	0	0	113.5	M199 Q200 L203 K294 F295	M199-L298 HydrophobicContact CB-CD2 3.8Å; M199-L298 HydrophobicContact CG-CD2 3.8Å; M199-L298 HydrophobicContact CG-CG 4.49Å; Q200-L298 HydrophobicContact CG-CD1 4.34Å; Q200-L298 HydrophobicContact CG-CD2 3.75Å; L203-L298 HydrophobicContact CD1-CD1 3.65Å; L203-L298 HydrophobicContact CD1-CD2 4.02Å; L203-L298 HydrophobicContact CD1-CG 3.68Å; K294-L298 VanDerWaalsContact O-CB 3.23Å; K294-L298 WeakPolarHBondContact O-CB 3.45Å; K294-L298 PolarHBondContact O-N 3.17Å; F295-L298 WeakPolarHBondContact O-CB 3.13Å; F295-L298 PolarHBondContact O-N 3.27Å
299	V	97.9	Very high	97.5	Very high	16 Å²	16	71.4 Å²	71.4	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-102.2	2.5	-178.3	-53.2	0	0	0	0	113.8	M199 L208 F295 E297 R301 F303	M199-V299 HydrophobicContact CE-CG1 4.04Å; M199-V299 HydrophobicContact CG-CG1 4.07Å; L208-V299 HydrophobicContact CD1-CB 4.32Å; L208-V299 HydrophobicContact CD1-CG1 4.27Å; F295-V299 HydrophobicContact CD1-CG2 4.32Å; F295-V299 HydrophobicContact CD2-CG1 4.15Å; F295-V299 HydrophobicContact CE1-CG1 4.37Å; F295-V299 HydrophobicContact CE1-CG2 3.92Å; F295-V299 HydrophobicContact CE2-CG1 3.59Å; F295-V299 HydrophobicContact CZ-CG1 3.7Å; F295-V299 HydrophobicContact CZ-CG2 4.05Å; F295-V299 WeakPolarHBondContact O-CG2 3.07Å; F295-V299 PolarHBondContact O-N 3.41Å; E297-V299 VanDerWaalsContact C-N 3.32Å; E297-V299 PolarHBondContact O-N 3.05Å; V299-R301 HydrophobicContact CG2-CB 4.27Å; V299-R301 PolarHBondContact O-N 2.87Å; V299-F303 HydrophobicContact CG2-CE2 4.45Å
300	G	97.6	Very high	97.4	Very high	72 Å²	72	70.9 Å²	70.9	74%	0.742	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	26.6	-179.8	0	0	0	0	0	114.5	F296 E297	F296-G300 WeakPolarHBondContact O-CA 3.44Å; F296-G300 PolarHBondContact O-N 3.37Å; E297-G300 PolarHBondContact O-N 2.94Å
301	R	96.7	Very high	97.4	Very high	78 Å²	78	68.4 Å²	68.4	29%	0.294	35%	0.353	S	S	.	.			trans	-151.8	140.9	-176.2	173.7	-179.8	172.8	-167.8	-1.8	111.4	V213 D215 F296 V299 F303	V213-R301 PolarHBondContact O-NH1 3.47Å; D215-R301 IonicContact OD2-NH2 3.44Å; F296-R301 VanDerWaalsContact CA-O 3.26Å; F296-R301 WeakPolarHBondContact CA-O 3.43Å; F296-R301 WeakPolarHBondContact CB-O 3.42Å; F296-R301 WeakPolarHBondContact CD1-O 3.26Å; F296-R301 PolarHBondContact O-N 2.98Å; F296-R301 VanDerWaalsContact O-N 3.13Å; V299-R301 HydrophobicContact CG2-CB 4.27Å; V299-R301 PolarHBondContact O-N 2.87Å; R301-F303 HydrophobicContact CG-CE2 4.21Å; R301-F303 HydrophobicContact CG-CZ 4.48Å
302	T	97.6	Very high	97.3	Very high	106 Å²	106	71.8 Å²	71.8	65%	0.65	37%	0.37	S	S	*	.			trans	-96.6	154.9	173.5	57.6	0	0	0	0	112.7	F296	F296-T302 HydrophobicContact CB-CG2 4.17Å; F296-T302 HydrophobicContact CD2-CG2 4.06Å; F296-T302 HydrophobicContact CG-CG2 4.2Å
303	F	97.6	Very high	97.2	Very high	11 Å²	11	76.3 Å²	76.3	5%	0.048	39%	0.393	C	S	.	.			trans	-125.8	147.7	171.4	-62.5	-101.9	0	0	0	108.3	V213 D215 F295 F296 V299 R301 W305	V213-F303 HydrophobicContact CB-CZ 4.27Å; V213-F303 HydrophobicContact CG1-CE1 4.23Å; V213-F303 HydrophobicContact CG1-CE2 4.41Å; V213-F303 HydrophobicContact CG1-CZ 3.56Å; D215-F303 HydrophobicContact CB-CD1 4.14Å; D215-F303 HydrophobicContact CB-CE1 3.94Å; F295-F303 HydrophobicContact CE1-CD2 4.23Å; F295-F303 AromaticContact CE1-CE2 3.75Å; F295-F303 HydrophobicContact CE1-CE2 3.75Å; F295-F303 HydrophobicContact CE1-CZ 4.49Å; F296-F303 AromaticContact CD1-CD2 3.92Å; F296-F303 HydrophobicContact CD1-CD2 3.92Å; F296-F303 HydrophobicContact CE1-CB 3.89Å; F296-F303 AromaticContact CE1-CD2 3.67Å; F296-F303 HydrophobicContact CE1-CD2 3.67Å; F296-F303 HydrophobicContact CE1-CG 4.26Å; F296-F303 HydrophobicContact CZ-CB 4.23Å; F296-F303 WeakPolarHBondContact CZ-O 3.45Å; V299-F303 HydrophobicContact CG2-CE2 4.45Å; R301-F303 HydrophobicContact CG-CE2 4.21Å; R301-F303 HydrophobicContact CG-CZ 4.48Å; F303-W305 HydrophobicContact CB-CD2 3.67Å; F303-W305 HydrophobicContact CB-CE3 4.25Å; F303-W305 HydrophobicContact CB-CG 4.01Å; F303-W305 HydrophobicContact CB-CH2 4.27Å; F303-W305 HydrophobicContact CB-CZ2 3.71Å; F303-W305 AromaticContact CD1-CZ2 3.83Å; F303-W305 HydrophobicContact CD1-CZ2 3.83Å; F303-W305 HydrophobicContact CD2-CH2 4Å; F303-W305 HydrophobicContact CD2-CZ2 4.04Å; F303-W305 HydrophobicContact CE1-CZ2 4.48Å; F303-W305 HydrophobicContact CG-CD2 4.44Å; F303-W305 AromaticContact CG-CE2 3.81Å; F303-W305 HydrophobicContact CG-CH2 4.03Å; F303-W305 AromaticContact CG-CZ2 3.58Å; F303-W305 HydrophobicContact CG-CZ2 3.58Å; F303-W305 PolarHBondContact O-N 2.92Å
304	N	95.9	Very high	97.1	Very high	166 Å²	166	75.2 Å²	75.2	89%	0.888	39%	0.392	S	S	*	.			trans	-82.5	61.5	-178.8	-168.7	22.4	0	0	0	111.1
305	W	97.3	Very high	96.9	Very high	23 Å²	23	72.8 Å²	72.8	9%	0.087	39%	0.387	C	S	.	.			trans	-92.4	153.7	176.4	-59.4	-23.6	0	0	0	110.7	L145 D147 Y195 D217 N292 F295 F296 F303	L145-W305 HydrophobicContact CB-CH2 4.16Å; L145-W305 HydrophobicContact CB-CZ2 3.96Å; L145-W305 HydrophobicContact CD1-CH2 4.16Å; D147-W305 VanDerWaalsContact CA-CD1 3.44Å; D147-W305 HydrophobicContact CB-CB 4.44Å; D147-W305 HydrophobicContact CB-CG 4.15Å; Y195-W305 AromaticContact CD2-CH2 3.55Å; Y195-W305 HydrophobicContact CD2-CH2 3.55Å; Y195-W305 HydrophobicContact CD2-CZ2 4.49Å; Y195-W305 AromaticContact CD2-CZ3 3.66Å; Y195-W305 HydrophobicContact CD2-CZ3 3.66Å; Y195-W305 AromaticContact CE2-CH2 3.61Å; Y195-W305 HydrophobicContact CE2-CH2 3.61Å; Y195-W305 HydrophobicContact CE2-CZ2 4.14Å; Y195-W305 AromaticContact CE2-CZ3 3.86Å; Y195-W305 HydrophobicContact CE2-CZ3 3.86Å; D217-W305 PolarHBondContact OD2-NE1 2.91Å; N292-W305 HydrophobicContact CB-CE3 4.42Å; F295-W305 AromaticContact CD1-CH2 3.97Å; F295-W305 HydrophobicContact CD1-CH2 3.97Å; F295-W305 AromaticContact CD1-CZ3 3.92Å; F295-W305 HydrophobicContact CD1-CZ3 3.92Å; F295-W305 AromaticContact CE1-CH2 3.91Å; F295-W305 HydrophobicContact CE1-CH2 3.91Å; F295-W305 HydrophobicContact CE1-CZ3 4.34Å; F296-W305 HydrophobicContact CE1-CD2 4.31Å; F296-W305 AromaticContact CE1-CE3 3.59Å; F296-W305 HydrophobicContact CE1-CE3 3.59Å; F296-W305 HydrophobicContact CE1-CH2 4.33Å; F296-W305 AromaticContact CE1-CZ3 3.6Å; F296-W305 HydrophobicContact CE1-CZ3 3.6Å; F296-W305 HydrophobicContact CZ-CD2 4.32Å; F296-W305 AromaticContact CZ-CE3 3.73Å; F296-W305 HydrophobicContact CZ-CE3 3.73Å; F296-W305 HydrophobicContact CZ-CZ3 4.21Å; F303-W305 HydrophobicContact CB-CD2 3.67Å; F303-W305 HydrophobicContact CB-CE3 4.25Å; F303-W305 HydrophobicContact CB-CG 4.01Å; F303-W305 HydrophobicContact CB-CH2 4.27Å; F303-W305 HydrophobicContact CB-CZ2 3.71Å; F303-W305 AromaticContact CD1-CZ2 3.83Å; F303-W305 HydrophobicContact CD1-CZ2 3.83Å; F303-W305 HydrophobicContact CD2-CH2 4Å; F303-W305 HydrophobicContact CD2-CZ2 4.04Å; F303-W305 HydrophobicContact CE1-CZ2 4.48Å; F303-W305 HydrophobicContact CG-CD2 4.44Å; F303-W305 AromaticContact CG-CE2 3.81Å; F303-W305 HydrophobicContact CG-CH2 4.03Å; F303-W305 AromaticContact CG-CZ2 3.58Å; F303-W305 HydrophobicContact CG-CZ2 3.58Å; F303-W305 PolarHBondContact O-N 2.92Å
306	K	88.4	Confident	96.8	Very high	159 Å²	159	79.3 Å²	79.3	69%	0.691	42%	0.422	S	S	*	.			trans	-80.7	0	179.4	-71.4	-175.9	178.3	-177.2	0	112.9	D147 Y285	D147-K306 PolarHBondContact OD2-N 3Å; Y285-K306 HydrophobicContact CD1-CB 3.45Å; Y285-K306 VanDerWaalsContact CD1-CB 3.45Å; Y285-K306 HydrophobicContact CD1-CD 4.42Å; Y285-K306 HydrophobicContact CD2-CB 4.44Å; Y285-K306 HydrophobicContact CE1-CB 3.56Å; Y285-K306 HydrophobicContact CE1-CD 3.8Å; Y285-K306 HydrophobicContact CE1-CG 4.31Å; Y285-K306 HydrophobicContact CE2-CD 3.97Å; Y285-K306 HydrophobicContact CG-CB 3.96Å

Retrieved 306 of 306 residues in 69.1 ms (Link to these results)

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