A0A087WXB8_HUMAN Loading...

Type 2 lactosamine alpha-2,3-sialyltransferase

Transfers the sialyl residue from CMP-N-acetyl-beta-neuraminate to the terminal galactose residue on sugar chains of glycoproteins and glycolipids. It's alpha-2,3-sialyltransferase activity is specific toward type II glycan chains (Galbeta1-4GlcNAc) on glycoproteins and glycolipids such as neolactosides nLc4Cer and nLc6Cer, whose sialyl-products serve as precursors for the Lewis X antigen. Critically involved in the synthesis of functional selectin ligands needed for neutrophil recruitment during inflammation and lymphocyte homing to the lymph nodes.

AlphaFold DB , UniProt , Accession A0A087WXB8, Species HUMAN (Homo sapiens, Human), Gene ST3GAL6, Length 384 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	35.5	Very low	30.2	Very low	94 Å²	94	145 Å²	145	46%	0.463	70%	0.698	S	S	.	*				0	88.6	0	-168.3	-175.6	-70.7	0	0	108	Q3 W265 Y359	M1-Q3 PolarHBondContact O-N 3.18Å; M1-W265 HydrophobicContact CB-CB 4.18Å; M1-W265 HydrophobicContact CB-CD2 3.35Å; M1-W265 HydrophobicContact CB-CE3 3.35Å; M1-W265 HydrophobicContact CB-CG 3.71Å; M1-W265 HydrophobicContact CB-CH2 4.27Å; M1-W265 HydrophobicContact CB-CZ2 4.29Å; M1-W265 HydrophobicContact CB-CZ3 3.83Å; M1-W265 HydrophobicContact CG-CE3 4.41Å; M1-W265 WeakPolarHBondContact O-CB 3.49Å; M1-W265 PolarHBondContact O-NE1 2.84Å; M1-W265 HydrophobicContact SD-CE3 4.35Å; M1-Y359 HydrophobicContact CG-CD2 4.05Å; M1-Y359 HydrophobicContact CG-CE2 3.99Å
2	W	31	Very low	30	Very low	24 Å²	24	141.4 Å²	141.4	9%	0.091	71%	0.71	C	S	.	*			trans	-62.6	131.1	-175.7	-99.4	82.2	0	0	0	113.3	P137 F242 Y359	W2-P137 HydrophobicContact CH2-CB 3.47Å; W2-P137 VanDerWaalsContact CH2-CB 3.47Å; W2-P137 VanDerWaalsContact CH2-CD 3.44Å; W2-P137 HydrophobicContact CH2-CG 3.34Å; W2-P137 HydrophobicContact CZ2-CB 3.41Å; W2-P137 VanDerWaalsContact CZ2-CB 3.41Å; W2-P137 HydrophobicContact CZ2-CG 3.44Å; W2-P137 VanDerWaalsContact CZ2-CG 3.44Å; W2-P137 HydrophobicContact CZ3-CG 4.49Å; W2-F242 HydrophobicContact CD2-CB 4.15Å; W2-F242 AromaticContact CE2-CD1 3.5Å; W2-F242 AromaticContact CE2-CG 3.34Å; W2-F242 HydrophobicContact CH2-CB 3.75Å; W2-F242 HydrophobicContact CH2-CD1 4.41Å; W2-F242 HydrophobicContact CH2-CG 4.44Å; W2-F242 WeakPolarHBondContact CH2-O 3.21Å; W2-F242 HydrophobicContact CZ2-CB 3.09Å; W2-F242 AromaticContact CZ2-CD1 3.22Å; W2-F242 HydrophobicContact CZ2-CD1 3.22Å; W2-F242 HydrophobicContact CZ2-CD2 4.5Å; W2-F242 HydrophobicContact CZ2-CE1 4.21Å; W2-F242 AromaticContact CZ2-CG 3.36Å; W2-F242 HydrophobicContact CZ2-CG 3.36Å; W2-F242 WeakPolarHBondContact CZ2-O 3.3Å; W2-F242 HydrophobicContact CZ3-CB 4.47Å; W2-F242 WeakPolarHBondContact CZ3-O 3.44Å; W2-F242 AromaticContact NE1-CD1 3.28Å; W2-F242 VanDerWaalsContact NE1-CD1 3.28Å; W2-F242 AromaticContact NE1-CD2 3.41Å; W2-F242 AromaticContact NE1-CE1 3.7Å; W2-F242 AromaticContact NE1-CE2 3.86Å; W2-F242 AromaticContact NE1-CG 3.06Å; W2-F242 AromaticContact NE1-CZ 3.97Å; W2-Y359 HydrophobicContact CB-CD1 4.19Å; W2-Y359 HydrophobicContact CB-CG 4.33Å; W2-Y359 WeakPolarHBondContact O-CD1 3.12Å; W2-Y359 WeakPolarHBondContact O-CE1 3.37Å; W2-Y359 WeakPolarHBondContact O-CE2 3.49Å; W2-Y359 PolarHBondContact O-OH 3.07Å
3	Q	27	Very low	29.9	Very low	125 Å²	125	136.9 Å²	136.9	58%	0.584	72%	0.721	S	S	*	*			trans	-126.3	118.5	156.7	-79.8	-172.6	-5.5	0	0	107.3	M1	M1-Q3 PolarHBondContact O-N 3.18Å
4	A	30.3	Very low	29.8	Very low	72 Å²	72	134.9 Å²	134.9	60%	0.595	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-78.3	152.1	168.1	0	0	0	0	0	109.7
5	P	30.9	Very low	29.6	Very low	98 Å²	98	132.5 Å²	132.5	64%	0.636	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-68.9	142.5	-174.3	-10.3	26.2	0	0	0	111.3	E7	P5-E7 PolarHBondContact O-N 2.92Å
6	R	29.7	Very low	29.6	Very low	245 Å²	245	130.1 Å²	130.1	93%	0.925	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-65	129.3	164.7	-68.7	-176.9	-165.1	-174.9	4.1	108.8	R8	R6-R8 PolarHBondContact O-N 3.27Å
7	E	29.9	Very low	29.6	Very low	187 Å²	187	130.2 Å²	130.2	87%	0.874	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-58.6	132.6	163.1	-74.1	177.6	158.2	0	0	109.1	P5 Q9	P5-E7 PolarHBondContact O-N 2.92Å; E7-Q9 PolarHBondContact O-N 3.06Å
8	R	29.6	Very low	29.4	Very low	248 Å²	248	132.9 Å²	132.9	94%	0.936	75%	0.753	S	S	*	*			trans	-67.4	111	173.4	-101.2	-177.9	-91.2	-154.9	-4.5	108.4	R6 Q10	R6-R8 PolarHBondContact O-N 3.27Å; R8-Q10 PolarHBondContact O-N 2.81Å
9	Q	30.2	Very low	29.3	Very low	189 Å²	189	132.3 Å²	132.3	88%	0.883	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.8	126.8	159.8	-75.9	176.1	-20.9	0	0	108.5	E7	E7-Q9 PolarHBondContact O-N 3.06Å
10	Q	27.8	Very low	29.2	Very low	187 Å²	187	131.3 Å²	131.3	87%	0.874	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.9	134.9	164.1	-72.7	174.6	-22.3	0	0	108.8	R8	R8-Q10 PolarHBondContact O-N 2.81Å
11	P	30.8	Very low	29.4	Very low	126 Å²	126	133.6 Å²	133.6	82%	0.818	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-80.2	128.4	162.9	25.4	-18.7	0	0	0	109.6
12	A	27.5	Very low	29.4	Very low	102 Å²	102	135.1 Å²	135.1	84%	0.843	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-67.4	147.9	166.5	0	0	0	0	0	111.2
13	G	27.9	Very low	29.2	Very low	83 Å²	83	137.4 Å²	137.4	86%	0.856	81%	0.806	S	S	*	*			trans	0.9	127.3	168.8	0	0	0	0	0	121.1
14	A	28.4	Very low	29.4	Very low	108 Å²	108	136.1 Å²	136.1	89%	0.893	82%	0.817	S	S	*	*			trans	-145.6	144.1	143.6	0	0	0	0	0	109.5
15	A	28.1	Very low	29.8	Very low	100 Å²	100	138.1 Å²	138.1	83%	0.826	82%	0.824	S	S	*	*			trans	-75	157.8	-157	0	0	0	0	0	116.1
16	A	28.9	Very low	29.7	Very low	94 Å²	94	140.5 Å²	140.5	78%	0.777	83%	0.83	S	S	*	*			trans	-70.5	161.8	168.4	0	0	0	0	0	112.6
17	P	29.3	Very low	29.6	Very low	132 Å²	132	139.5 Å²	139.5	86%	0.857	83%	0.826	S	S	*	*			trans	-130	155.7	131.9	32.1	-18.2	0	0	0	113.5
18	Q	26.4	Very low	29.5	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	82%	0.822	S	S	*	*			trans	-89.1	150.6	-172.4	-99	-169.6	-16.8	0	0	113.8
19	V	27.7	Very low	29.5	Very low	121 Å²	121	129 Å²	129	73%	0.733	81%	0.812	S	S	*	*			trans	70.4	124.1	134.7	179.9	0	0	0	0	120
20	S	27.1	Very low	29.5	Very low	112 Å²	112	126.9 Å²	126.9	78%	0.783	81%	0.806	S	S	*	*				179.6	126.9	112.9	34.3	0	0	0	0	113
21	E	33.3	Very low	29.6	Very low	181 Å²	181	125.8 Å²	125.8	85%	0.846	81%	0.805	S	S	*	*			trans	-69.1	164.9	156.5	-73.3	-171.1	146.2	0	0	110.5
22	P	34.8	Very low	29.4	Very low	126 Å²	126	122.6 Å²	122.6	82%	0.818	80%	0.795	S	S	*	*				-145.9	138.6	114.6	31.7	-14	0	0	0	115.8
23	G	28.3	Very low	29.6	Very low	72 Å²	72	126.7 Å²	126.7	74%	0.742	80%	0.801	S	S	*	*				66.7	112	114.8	0	0	0	0	0	120.7
24	A	30.9	Very low	29.7	Very low	97 Å²	97	126.5 Å²	126.5	80%	0.802	80%	0.8	S	S	*	*			trans	-72.1	158.2	147.4	0	0	0	0	0	110.5
25	P	38.9	Very low	29.8	Very low	115 Å²	115	125.3 Å²	125.3	75%	0.747	80%	0.798	S	S	*	*				-152.3	153.5	94.9	35.9	-16.2	0	0	0	117.8
26	L	28.1	Very low	30	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	80%	0.796	S	S	*	*			trans	31.2	139.2	140.3	-79.2	122.1	0	0	0	125.2
27	R	27.5	Very low	30.2	Very low	223 Å²	223	129.8 Å²	129.8	84%	0.842	80%	0.803	S	S	*	*			trans	92.8	117.6	135.5	-86.6	177.1	179.8	-155.3	0.6	121.2
28	S	28.7	Very low	30.3	Very low	111 Å²	111	130.9 Å²	130.9	78%	0.776	80%	0.8	S	S	*	*				-177.4	117.2	119.8	44.1	0	0	0	0	107.4
29	S	28.3	Very low	31.1	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	80%	0.8	S	S	*	*				71.3	123.5	72.8	-60.8	0	0	0	0	114.3
30	L	30.1	Very low	31.4	Very low	146 Å²	146	127.3 Å²	127.3	76%	0.764	80%	0.804	S	S	*	*			trans	136.5	106.1	143.8	-86.8	110.1	0	0	0	111.5
31	L	30.5	Very low	31.6	Very low	164 Å²	164	125.6 Å²	125.6	86%	0.859	80%	0.803	S	S	*	*				74.3	126.7	93.9	-84.4	161.1	0	0	0	111.4
32	G	27.1	Very low	31.6	Very low	58 Å²	58	127.6 Å²	127.6	60%	0.598	81%	0.81	S	S	*	*			cis	169.4	-171.2	6.3	0	0	0	0	0	110.2
33	L	31.1	Very low	31.6	Very low	188 Å²	188	126.4 Å²	126.4	98%	0.984	81%	0.81	S	S	*	*			trans	77.4	130	167.6	-52.1	157.5	0	0	0	115.4
34	G	29.9	Very low	31.9	Very low	80 Å²	80	128 Å²	128	83%	0.825	82%	0.816	S	S	*	*			cis	169.5	167	1.8	0	0	0	0	0	109.4
35	G	30.7	Very low	32.4	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	81%	0.81	S	S	*	*			trans	109.8	88.5	159.7	0	0	0	0	0	116.4
36	S	32.9	Very low	32.1	Very low	113 Å²	113	129 Å²	129	79%	0.79	82%	0.817	S	S	*	*			trans	-71.8	145	156	32.6	0	0	0	0	111.4
37	L	32.6	Very low	32.5	Very low	176 Å²	176	131 Å²	131	92%	0.921	82%	0.822	S	S	*	*			trans	178.6	113.8	134.9	-94.7	151.3	0	0	0	110.7
38	L	32.2	Very low	33	Very low	154 Å²	154	125.8 Å²	125.8	81%	0.806	82%	0.818	S	S	*	*			trans	-74.7	154.8	158.6	-89.1	161.2	0	0	0	108.6
39	P	41.6	Very low	33.8	Very low	126 Å²	126	126.8 Å²	126.8	82%	0.818	82%	0.822	S	S	*	*				-143.6	166.2	79.5	32.2	-11.2	0	0	0	116.2
40	A	35.5	Very low	34.9	Very low	99 Å²	99	124 Å²	124	82%	0.818	81%	0.81	S	S	*	*			trans	-59.9	144	-179.6	0	0	0	0	0	114.2
41	G	30.7	Very low	35.8	Very low	75 Å²	75	125.5 Å²	125.5	77%	0.773	81%	0.813	S	S	*	*			trans	-149.3	109.6	163.7	0	0	0	0	0	109.5	A43	G41-A43 PolarHBondContact O-N 3.27Å
42	F	33.8	Very low	36.8	Very low	224 Å²	224	123.1 Å²	123.1	98%	0.982	81%	0.807	S	S	*	*			trans	-60.4	125.5	167.8	-97.5	-100.9	0	0	0	109.8
43	A	34.2	Very low	38.1	Very low	100 Å²	100	123.2 Å²	123.2	83%	0.826	80%	0.802	S	S	*	*			trans	-151	132.4	155.4	0	0	0	0	0	109.2	G41	G41-A43 PolarHBondContact O-N 3.27Å
44	A	34.8	Very low	39.1	Very low	105 Å²	105	121 Å²	121	87%	0.868	79%	0.789	S	S	*	*			trans	-72.7	151.3	-167.6	0	0	0	0	0	113.7
45	G	40.7	Very low	40.6	Very low	66 Å²	66	126.7 Å²	126.7	68%	0.68	79%	0.785	S	S	*	*			trans	72.2	105.5	139.3	0	0	0	0	0	117.5
46	L	33.2	Very low	42.4	Very low	167 Å²	167	124.8 Å²	124.8	87%	0.874	77%	0.766	S	S	*	*				-160.2	97.5	126.2	-119.2	91.7	0	0	0	107.4	C48	L46-C48 PolarHBondContact O-N 2.03Å
47	H	37	Very low	44.4	Very low	192 Å²	192	127.8 Å²	127.8	89%	0.889	76%	0.761	S	S	*	*			trans	-71.5	116.3	163	-111.5	56.2	0	0	0	107	P49	H47-P49 WeakPolarHBondContact O-CD 2.98Å
48	C	37.3	Very low	46.5	Very low	112 Å²	112	124.9 Å²	124.9	76%	0.757	75%	0.746	S	S	*	*			trans	-83.1	111.7	162.9	-76.9	0	0	0	0	108.3	L46 G50	L46-C48 PolarHBondContact O-N 2.03Å; C48-G50 PolarHBondContact O-N 3.44Å
49	P	44.9	Very low	48.7	Very low	132 Å²	132	121.7 Å²	121.7	86%	0.857	73%	0.732	S	S	*	*			trans	-86.7	100.8	173.2	32.7	-24.2	0	0	0	108	H47	H47-P49 WeakPolarHBondContact O-CD 2.98Å
50	G	52.1	Low	50.8	Low	45 Å²	45	118 Å²	118	46%	0.464	71%	0.712	S	S	.	*			trans	-167.1	-4.5	179.2	0	0	0	0	0	118.1	C48	C48-G50 PolarHBondContact O-N 3.44Å
51	E	48.9	Very low	53.3	Low	177 Å²	177	118.4 Å²	118.4	83%	0.827	70%	0.699	S	S	*	*	H	α-helix	trans	-91.5	-13.7	-172.4	-84.3	-166.2	129.6	0	0	119
52	P	52.4	Low	56.1	Low	114 Å²	114	121.7 Å²	121.7	74%	0.74	69%	0.693	S	S	*	*	H	α-helix	trans	-78.7	-30.7	175.5	-7.1	22	0	0	0	112.8	G56	P52-G56 PolarHBondContact O-N 3.47Å
53	A	52.6	Low	58.8	Low	60 Å²	60	116.2 Å²	116.2	50%	0.496	67%	0.673	S	S	.	*	H	α-helix	trans	-75.2	-42.7	-170.7	0	0	0	0	0	112.7	R55 G56 Y57	A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 3.38Å; A53-G56 PolarHBondContact O-N 2.79Å; A53-Y57 WeakPolarHBondContact O-CD2 3.37Å; A53-Y57 PolarHBondContact O-N 3.4Å
54	M	53.8	Low	61.5	Low	142 Å²	142	114.5 Å²	114.5	70%	0.7	66%	0.655	S	S	*	*	H	α-helix	trans	-63.9	-34.7	179.6	-85.3	-130.3	-78.6	0	0	113.1	Y57 L58	M54-Y57 PolarHBondContact O-N 2.7Å; M54-L58 WeakPolarHBondContact O-CG 3.06Å; M54-L58 PolarHBondContact O-N 3.08Å; M54-L58 VanDerWaalsContact O-N 3.09Å
55	R	59.8	Low	64.2	Low	200 Å²	200	112.1 Å²	112.1	76%	0.755	64%	0.635	S	S	*	*	H	α-helix	trans	-66.5	-40.4	173.8	-103.4	-179	171.4	-164.9	-1.2	112.2	A53 L58 V59	A53-R55 VanDerWaalsContact C-N 3.32Å; A53-R55 PolarHBondContact O-N 3.38Å; R55-L58 PolarHBondContact O-N 3.39Å; R55-V59 VanDerWaalsContact O-CG2 3.27Å; R55-V59 WeakPolarHBondContact O-CG2 3.16Å; R55-V59 PolarHBondContact O-N 3.21Å; R55-V59 VanDerWaalsContact O-N 3.08Å
56	G	68.4	Low	66.6	Low	42 Å²	42	111.9 Å²	111.9	43%	0.433	62%	0.62	S	S	.	*	H	α-helix	trans	-62.3	-42.4	175.2	0	0	0	0	0	112.6	P52 A53 V59 A60	P52-G56 PolarHBondContact O-N 3.47Å; A53-G56 PolarHBondContact O-N 2.79Å; G56-V59 PolarHBondContact O-N 2.99Å; G56-A60 WeakPolarHBondContact O-CB 3.06Å; G56-A60 PolarHBondContact O-N 3.41Å
57	Y	76	Confident	69.5	Low	175 Å²	175	110.6 Å²	110.6	69%	0.686	61%	0.608	S	S	*	*	H	α-helix	trans	-64.4	-43.3	176.5	-90.7	-80.6	0	0	0	112.9	A53 M54 V59 A60 I61	A53-Y57 WeakPolarHBondContact O-CD2 3.37Å; A53-Y57 PolarHBondContact O-N 3.4Å; M54-Y57 PolarHBondContact O-N 2.7Å; Y57-V59 VanDerWaalsContact C-N 3.34Å; Y57-V59 PolarHBondContact O-N 3.05Å; Y57-A60 PolarHBondContact O-N 2.73Å; Y57-I61 VanDerWaalsContact O-CG1 3.26Å; Y57-I61 WeakPolarHBondContact O-CG1 3.29Å; Y57-I61 PolarHBondContact O-N 3.45Å
58	L	75.8	Confident	72.1	Confident	116 Å²	116	106.7 Å²	106.7	61%	0.607	59%	0.593	S	S	*	*	H	α-helix	trans	-63.7	-39.7	177.1	-76.3	165.7	0	0	0	112.2	M54 R55 I61 F62	M54-L58 WeakPolarHBondContact O-CG 3.06Å; M54-L58 PolarHBondContact O-N 3.08Å; M54-L58 VanDerWaalsContact O-N 3.09Å; R55-L58 PolarHBondContact O-N 3.39Å; L58-I61 PolarHBondContact O-N 2.67Å; L58-F62 WeakPolarHBondContact O-CB 3.22Å; L58-F62 PolarHBondContact O-N 3.17Å
59	V	80.1	Confident	74.5	Confident	87 Å²	87	108.4 Å²	108.4	53%	0.527	59%	0.585	S	S	.	*	H	α-helix	trans	-66	-42.8	175.2	172.5	0	0	0	0	111	R55 G56 Y57 I61 F62 L63	R55-V59 VanDerWaalsContact O-CG2 3.27Å; R55-V59 WeakPolarHBondContact O-CG2 3.16Å; R55-V59 PolarHBondContact O-N 3.21Å; R55-V59 VanDerWaalsContact O-N 3.08Å; G56-V59 PolarHBondContact O-N 2.99Å; Y57-V59 VanDerWaalsContact C-N 3.34Å; Y57-V59 PolarHBondContact O-N 3.05Å; V59-I61 PolarHBondContact O-N 3.17Å; V59-F62 PolarHBondContact O-N 3.26Å; V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.37Å; V59-L63 WeakPolarHBondContact O-CG 3.4Å; V59-L63 PolarHBondContact O-N 3.09Å
60	A	84.4	Confident	76.5	Confident	47 Å²	47	109.2 Å²	109.2	39%	0.388	57%	0.572	S	S	.	*	H	α-helix	trans	-62.8	-41.6	176.9	0	0	0	0	0	112.3	G56 Y57 S64	G56-A60 WeakPolarHBondContact O-CB 3.06Å; G56-A60 PolarHBondContact O-N 3.41Å; Y57-A60 PolarHBondContact O-N 2.73Å; A60-S64 VanDerWaalsContact O-CB 3.29Å; A60-S64 WeakPolarHBondContact O-CB 3.44Å; A60-S64 PolarHBondContact O-N 3.33Å; A60-S64 PolarHBondContact O-OG 3.3Å
61	I	88.8	Confident	78.1	Confident	108 Å²	108	109.6 Å²	109.6	55%	0.554	57%	0.565	S	S	*	*	H	α-helix	trans	-63.7	-44.6	175.9	-68.8	165.4	0	0	0	110.6	Y57 L58 V59 S64 A65	Y57-I61 VanDerWaalsContact O-CG1 3.26Å; Y57-I61 WeakPolarHBondContact O-CG1 3.29Å; Y57-I61 PolarHBondContact O-N 3.45Å; L58-I61 PolarHBondContact O-N 2.67Å; V59-I61 PolarHBondContact O-N 3.17Å; I61-S64 PolarHBondContact O-N 2.79Å; I61-A65 WeakPolarHBondContact O-CB 3.47Å; I61-A65 PolarHBondContact O-N 2.62Å
62	F	89	Confident	79.5	Confident	145 Å²	145	105.7 Å²	105.7	64%	0.636	55%	0.55	S	S	*	.	H	α-helix	trans	-62.8	-46.6	178.8	-173.8	-95	0	0	0	112.1	L58 V59 S64 A65 V66	L58-F62 WeakPolarHBondContact O-CB 3.22Å; L58-F62 PolarHBondContact O-N 3.17Å; V59-F62 PolarHBondContact O-N 3.26Å; F62-S64 VanDerWaalsContact C-N 3.32Å; F62-S64 PolarHBondContact O-N 3.29Å; F62-A65 PolarHBondContact O-N 2.82Å; F62-V66 HydrophobicContact CD1-CG2 4.22Å; F62-V66 HydrophobicContact CE1-CG2 3.88Å; F62-V66 HydrophobicContact CZ-CG2 4.21Å; F62-V66 WeakPolarHBondContact O-CG2 3.23Å; F62-V66 PolarHBondContact O-N 2.85Å
63	L	90.3	Very high	80.7	Confident	108 Å²	108	103.9 Å²	103.9	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-63.7	-38.1	176.9	-69.4	174.1	0	0	0	112.1	V59 V66 F67	V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.37Å; V59-L63 WeakPolarHBondContact O-CG 3.4Å; V59-L63 PolarHBondContact O-N 3.09Å; L63-V66 PolarHBondContact O-N 2.85Å; L63-F67 WeakPolarHBondContact O-CB 3.36Å; L63-F67 PolarHBondContact O-N 2.82Å
64	S	91	Very high	81.6	Confident	64 Å²	64	104.9 Å²	104.9	45%	0.448	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-40.5	175.4	-57.1	0	0	0	0	111.7	A60 I61 F62 F67 L68	A60-S64 VanDerWaalsContact O-CB 3.29Å; A60-S64 WeakPolarHBondContact O-CB 3.44Å; A60-S64 PolarHBondContact O-N 3.33Å; A60-S64 PolarHBondContact O-OG 3.3Å; I61-S64 PolarHBondContact O-N 2.79Å; F62-S64 VanDerWaalsContact C-N 3.32Å; F62-S64 PolarHBondContact O-N 3.29Å; S64-F67 PolarHBondContact O-N 3.11Å; S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 VanDerWaalsContact O-CG 3.24Å; S64-L68 WeakPolarHBondContact O-CG 2.94Å; S64-L68 PolarHBondContact O-N 2.79Å
65	A	91.5	Very high	82.3	Confident	55 Å²	55	102.6 Å²	102.6	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-40.6	176.4	0	0	0	0	0	112.1	I61 F62 L68 Y69	I61-A65 WeakPolarHBondContact O-CB 3.47Å; I61-A65 PolarHBondContact O-N 2.62Å; F62-A65 PolarHBondContact O-N 2.82Å; A65-L68 PolarHBondContact O-N 2.82Å; A65-Y69 VanDerWaalsContact O-CB 3.28Å; A65-Y69 WeakPolarHBondContact O-CB 3.19Å; A65-Y69 PolarHBondContact O-N 3.12Å
66	V	91.7	Very high	82.3	Confident	61 Å²	61	97.2 Å²	97.2	37%	0.37	51%	0.509	S	S	.	.	H	α-helix	trans	-64.5	-42.6	174.1	172.9	0	0	0	0	111	F62 L63 Y69 Y70	F62-V66 HydrophobicContact CD1-CG2 4.22Å; F62-V66 HydrophobicContact CE1-CG2 3.88Å; F62-V66 HydrophobicContact CZ-CG2 4.21Å; F62-V66 WeakPolarHBondContact O-CG2 3.23Å; F62-V66 PolarHBondContact O-N 2.85Å; L63-V66 PolarHBondContact O-N 2.85Å; V66-Y69 PolarHBondContact O-N 3.33Å; V66-Y70 HydrophobicContact CG1-CD2 4.21Å; V66-Y70 WeakPolarHBondContact O-CB 3.41Å; V66-Y70 PolarHBondContact O-N 3.48Å
67	F	92.8	Very high	81.4	Confident	140 Å²	140	103.6 Å²	103.6	61%	0.614	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-47.4	175.6	178.4	-100.8	0	0	0	111.6	L63 S64 Y69 Y70 V71	L63-F67 WeakPolarHBondContact O-CB 3.36Å; L63-F67 PolarHBondContact O-N 2.82Å; S64-F67 PolarHBondContact O-N 3.11Å; F67-Y69 VanDerWaalsContact C-N 3.33Å; F67-Y69 PolarHBondContact O-N 3.17Å; F67-Y70 PolarHBondContact O-N 2.79Å; F67-Y70 VanDerWaalsContact O-N 3.16Å; F67-V71 HydrophobicContact CD1-CG2 4.13Å; F67-V71 HydrophobicContact CD2-CG2 4.49Å; F67-V71 HydrophobicContact CE1-CG2 3.72Å; F67-V71 HydrophobicContact CE2-CG2 4.12Å; F67-V71 HydrophobicContact CG-CG2 4.5Å; F67-V71 HydrophobicContact CZ-CG2 3.72Å; F67-V71 WeakPolarHBondContact O-CG2 3.48Å; F67-V71 PolarHBondContact O-N 3.13Å
68	L	92.4	Very high	80	Confident	111 Å²	111	97.3 Å²	97.3	58%	0.581	51%	0.508	S	S	*	.	H	α-helix	trans	-64	-37	176.7	-72.8	170	0	0	0	112.1	S64 A65 V71 L72	S64-L68 WeakPolarHBondContact O-CB 3.47Å; S64-L68 VanDerWaalsContact O-CG 3.24Å; S64-L68 WeakPolarHBondContact O-CG 2.94Å; S64-L68 PolarHBondContact O-N 2.79Å; A65-L68 PolarHBondContact O-N 2.82Å; L68-V71 PolarHBondContact O-N 3.43Å; L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 PolarHBondContact O-N 2.93Å
69	Y	88.6	Confident	78.6	Confident	147 Å²	147	95.7 Å²	95.7	58%	0.576	50%	0.504	S	S	*	.	H	α-helix	trans	-63.1	-44.1	171.7	175.8	-94.7	0	0	0	111.2	A65 V66 F67 L72 H73	A65-Y69 VanDerWaalsContact O-CB 3.28Å; A65-Y69 WeakPolarHBondContact O-CB 3.19Å; A65-Y69 PolarHBondContact O-N 3.12Å; V66-Y69 PolarHBondContact O-N 3.33Å; F67-Y69 VanDerWaalsContact C-N 3.33Å; F67-Y69 PolarHBondContact O-N 3.17Å; Y69-L72 PolarHBondContact O-N 3.15Å; Y69-H73 WeakPolarHBondContact O-CB 3.09Å; Y69-H73 PolarHBondContact O-N 3.11Å
70	Y	86.6	Confident	76.9	Confident	149 Å²	149	98 Å²	98	58%	0.584	51%	0.513	S	S	*	.	H	α-helix	trans	-64	-42.7	175.4	-106.3	-85.7	0	0	0	112.2	V66 F67 H73 C74	V66-Y70 HydrophobicContact CG1-CD2 4.21Å; V66-Y70 WeakPolarHBondContact O-CB 3.41Å; V66-Y70 PolarHBondContact O-N 3.48Å; F67-Y70 PolarHBondContact O-N 2.79Å; F67-Y70 VanDerWaalsContact O-N 3.16Å; Y70-H73 CarbonylContact O-C 3.3Å; Y70-H73 PolarHBondContact O-N 2.9Å; Y70-C74 VanDerWaalsContact O-CB 3.26Å; Y70-C74 WeakPolarHBondContact O-CB 3.43Å; Y70-C74 PolarHBondContact O-N 3.28Å; Y70-C74 PolarHBondContact O-SG 3.21Å
71	V	84.2	Confident	75.2	Confident	53 Å²	53	99.2 Å²	99.2	32%	0.321	52%	0.515	S	S	.	.	H	α-helix	trans	-63.4	-46.8	175.7	170.5	0	0	0	0	110.2	F67 L68 H73 C74 I75	F67-V71 HydrophobicContact CD1-CG2 4.13Å; F67-V71 HydrophobicContact CD2-CG2 4.49Å; F67-V71 HydrophobicContact CE1-CG2 3.72Å; F67-V71 HydrophobicContact CE2-CG2 4.12Å; F67-V71 HydrophobicContact CG-CG2 4.5Å; F67-V71 HydrophobicContact CZ-CG2 3.72Å; F67-V71 WeakPolarHBondContact O-CG2 3.48Å; F67-V71 PolarHBondContact O-N 3.13Å; L68-V71 PolarHBondContact O-N 3.43Å; V71-H73 VanDerWaalsContact C-N 3.33Å; V71-H73 PolarHBondContact O-N 3.3Å; V71-C74 PolarHBondContact O-N 3.42Å; V71-I75 HydrophobicContact CG1-CD1 3.66Å; V71-I75 HydrophobicContact CG1-CG1 4.37Å; V71-I75 WeakPolarHBondContact O-CB 3.45Å; V71-I75 WeakPolarHBondContact O-CG1 3.42Å; V71-I75 PolarHBondContact O-N 2.94Å
72	L	79.9	Confident	73.2	Confident	96 Å²	96	101.6 Å²	101.6	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-63.8	-39.3	176.3	-175.3	67.5	0	0	0	111.3	L68 Y69 I75 L76	L68-L72 WeakPolarHBondContact O-CB 3.35Å; L68-L72 PolarHBondContact O-N 2.93Å; Y69-L72 PolarHBondContact O-N 3.15Å; L72-I75 PolarHBondContact O-N 3.12Å; L72-L76 HydrophobicContact CD1-CD1 4.18Å; L72-L76 HydrophobicContact CD1-CG 4.29Å; L72-L76 HydrophobicContact CD2-CD1 4.32Å; L72-L76 HydrophobicContact CG-CD1 3.78Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.92Å
73	H	76.3	Confident	70.8	Confident	75 Å²	75	105.6 Å²	105.6	35%	0.347	53%	0.529	S	S	.	.	H	α-helix	trans	-68.9	-36.9	176	-167.8	-86.1	0	0	0	111.4	Y69 Y70 V71 W77	Y69-H73 WeakPolarHBondContact O-CB 3.09Å; Y69-H73 PolarHBondContact O-N 3.11Å; Y70-H73 CarbonylContact O-C 3.3Å; Y70-H73 PolarHBondContact O-N 2.9Å; V71-H73 VanDerWaalsContact C-N 3.33Å; V71-H73 PolarHBondContact O-N 3.3Å; H73-W77 AromaticContact CE1-CE3 3.32Å; H73-W77 AromaticContact CE1-CZ3 3.62Å; H73-W77 AromaticContact ND1-CE3 3.6Å; H73-W77 WeakPolarHBondContact O-CB 3.37Å; H73-W77 PolarHBondContact O-N 2.78Å
74	C	71.9	Confident	68.6	Low	81 Å²	81	106.3 Å²	106.3	55%	0.547	54%	0.538	S	S	.	.	H	α-helix	trans	-68.8	-38.7	172.5	-75.6	0	0	0	0	112	Y70 V71 G78	Y70-C74 VanDerWaalsContact O-CB 3.26Å; Y70-C74 WeakPolarHBondContact O-CB 3.43Å; Y70-C74 PolarHBondContact O-N 3.28Å; Y70-C74 PolarHBondContact O-SG 3.21Å; V71-C74 PolarHBondContact O-N 3.42Å; C74-G78 WeakPolarHBondContact O-CA 3.34Å; C74-G78 PolarHBondContact O-N 3.28Å
75	I	69.4	Low	67	Low	95 Å²	95	107 Å²	107	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-50	174	-68.9	166.1	0	0	0	109.2	V71 L72 W77 G78 T79	V71-I75 HydrophobicContact CG1-CD1 3.66Å; V71-I75 HydrophobicContact CG1-CG1 4.37Å; V71-I75 WeakPolarHBondContact O-CB 3.45Å; V71-I75 WeakPolarHBondContact O-CG1 3.42Å; V71-I75 PolarHBondContact O-N 2.94Å; L72-I75 PolarHBondContact O-N 3.12Å; I75-W77 PolarHBondContact O-N 2.78Å; I75-G78 CarbonylContact O-C 3.6Å; I75-G78 WeakPolarHBondContact O-CA 3.2Å; I75-G78 PolarHBondContact O-N 3.03Å; I75-G78 VanDerWaalsContact O-N 3.16Å; I75-T79 HydrophobicContact CG2-CG2 4.3Å; I75-T79 WeakPolarHBondContact O-CB 3.42Å; I75-T79 VanDerWaalsContact O-CG2 3.27Å; I75-T79 WeakPolarHBondContact O-CG2 3.35Å; I75-T79 PolarHBondContact O-N 2.89Å; I75-T79 PolarHBondContact O-OG1 3.43Å
76	L	58.5	Low	65.8	Low	86 Å²	86	108 Å²	108	45%	0.45	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-38.1	179.4	-74.2	170.3	0	0	0	112.4	L72 T79 N80	L72-L76 HydrophobicContact CD1-CD1 4.18Å; L72-L76 HydrophobicContact CD1-CG 4.29Å; L72-L76 HydrophobicContact CD2-CD1 4.32Å; L72-L76 HydrophobicContact CG-CD1 3.78Å; L72-L76 HydrophobicContact CG-CG 4.29Å; L72-L76 WeakPolarHBondContact O-CB 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.92Å; L76-T79 WeakPolarHBondContact CA-OG1 3.23Å; L76-T79 PolarHBondContact O-N 3.25Å; L76-T79 PolarHBondContact O-OG1 2.65Å; L76-N80 WeakPolarHBondContact O-CB 3.38Å; L76-N80 PolarHBondContact O-N 2.79Å
77	W	50.6	Low	65	Low	176 Å²	176	106.4 Å²	106.4	67%	0.667	54%	0.539	S	S	*	.	H	α-helix	trans	-68.6	-42.1	172.2	-162.5	-26.9	0	0	0	110.4	H73 I75 T79 N80	H73-W77 AromaticContact CE1-CE3 3.32Å; H73-W77 AromaticContact CE1-CZ3 3.62Å; H73-W77 AromaticContact ND1-CE3 3.6Å; H73-W77 WeakPolarHBondContact O-CB 3.37Å; H73-W77 PolarHBondContact O-N 2.78Å; I75-W77 PolarHBondContact O-N 2.78Å; W77-T79 VanDerWaalsContact C-N 3.27Å; W77-T79 PolarHBondContact O-N 3.41Å; W77-N80 PolarHBondContact O-N 2.89Å
78	G	45.3	Very low	64.3	Low	43 Å²	43	106 Å²	106	44%	0.443	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-24.8	174.4	0	0	0	0	0	114.2	C74 I75	C74-G78 WeakPolarHBondContact O-CA 3.34Å; C74-G78 PolarHBondContact O-N 3.28Å; I75-G78 CarbonylContact O-C 3.6Å; I75-G78 WeakPolarHBondContact O-CA 3.2Å; I75-G78 PolarHBondContact O-N 3.03Å; I75-G78 VanDerWaalsContact O-N 3.16Å
79	T	48.1	Very low	63.4	Low	83 Å²	83	104.8 Å²	104.8	51%	0.509	53%	0.532	S	S	.	.	H	α-helix	trans	-98.6	-21.5	177.8	58.2	0	0	0	0	113.7	I75 L76 W77 V81	I75-T79 HydrophobicContact CG2-CG2 4.3Å; I75-T79 WeakPolarHBondContact O-CB 3.42Å; I75-T79 VanDerWaalsContact O-CG2 3.27Å; I75-T79 WeakPolarHBondContact O-CG2 3.35Å; I75-T79 PolarHBondContact O-N 2.89Å; I75-T79 PolarHBondContact O-OG1 3.43Å; L76-T79 WeakPolarHBondContact CA-OG1 3.23Å; L76-T79 PolarHBondContact O-N 3.25Å; L76-T79 PolarHBondContact O-OG1 2.65Å; W77-T79 VanDerWaalsContact C-N 3.27Å; W77-T79 PolarHBondContact O-N 3.41Å; T79-V81 PolarHBondContact O-N 3.2Å
80	N	44.3	Very low	62.7	Low	136 Å²	136	102.9 Å²	102.9	73%	0.727	53%	0.527	S	S	*	.	H	α-helix	trans	-76	-9	177.8	-105.9	-41.5	0	0	0	113.5	L76 W77	L76-N80 WeakPolarHBondContact O-CB 3.38Å; L76-N80 PolarHBondContact O-N 2.79Å; W77-N80 PolarHBondContact O-N 2.89Å
81	V	47.7	Very low	61.5	Low	71 Å²	71	107.4 Å²	107.4	43%	0.43	54%	0.543	S	S	.	.	S	Bend	trans	-141.7	93.9	-167.5	-177	0	0	0	0	109.4	T79	T79-V81 PolarHBondContact O-N 3.2Å
82	Y	46.3	Very low	60.3	Low	158 Å²	158	109 Å²	109	62%	0.62	54%	0.543	S	S	*	.			trans	76.7	93.9	164.3	-46.2	-68.9	0	0	0	119.4
83	W	38.4	Very low	58.9	Low	229 Å²	229	110.3 Å²	110.3	87%	0.867	55%	0.55	S	S	*	*			trans	-119.4	8	149.3	-82.4	100.4	0	0	0	113.8
84	V	46.2	Very low	57.8	Low	124 Å²	124	117 Å²	117	75%	0.752	58%	0.579	S	S	*	*	S	Bend	trans	-96.1	114.2	164	-172.3	0	0	0	0	106.2
85	A	56.7	Low	57.3	Low	78 Å²	78	116.3 Å²	116.3	65%	0.645	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-50.3	138.3	171.8	0	0	0	0	0	108.9	V87	A85-V87 PolarHBondContact O-N 2.92Å
86	P	65.9	Low	57	Low	76 Å²	76	119.2 Å²	119.2	49%	0.494	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-54.2	139.3	177.7	23.4	-32.1	0	0	0	108.9	E88 A119 A120	P86-E88 PolarHBondContact O-N 2.98Å; P86-A119 HydrophobicContact CB-CB 4.15Å; P86-A120 HydrophobicContact CB-CB 4.33Å; P86-A120 HydrophobicContact CG-CB 4.33Å
87	V	75.5	Confident	57.3	Low	27 Å²	27	119.9 Å²	119.9	16%	0.164	59%	0.59	C	S	.	*	P	Polyproline II helix	trans	-58.1	116.2	178.3	174.4	0	0	0	0	109.1	A85 A119 A120 L154 C157	A85-V87 PolarHBondContact O-N 2.92Å; V87-A119 PolarHBondContact O-N 2.9Å; V87-A120 PolarHBondContact O-N 3.43Å; V87-L154 WeakPolarHBondContact CG2-O 3.49Å; V87-C157 HydrophobicContact CG1-CB 4.43Å
88	E	76.8	Confident	58.6	Low	132 Å²	132	113.4 Å²	113.4	62%	0.617	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-101.4	153.6	172.1	-74.5	179.4	-177.1	0	0	109.3	P86 K90 A120	P86-E88 PolarHBondContact O-N 2.98Å; E88-K90 PolarHBondContact O-N 3.26Å; E88-A120 HydrophobicContact CG-CB 3.42Å; E88-A120 VanDerWaalsContact CG-CB 3.42Å
89	M	74.3	Confident	60.1	Low	86 Å²	86	119.4 Å²	119.4	42%	0.424	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-66.8	129.4	168.6	-172.8	-179.4	63.7	0	0	108.6	R91 C157	M89-R91 PolarHBondContact O-N 2.81Å; M89-C157 PolarHBondContact N-SG 3.41Å
90	K	74.8	Confident	61.8	Low	106 Å²	106	118.5 Å²	118.5	46%	0.461	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-61	134.8	173.6	-73.6	-177.4	167.7	-165.9	0	109.8	E88 R92 D158 E162	E88-K90 PolarHBondContact O-N 3.26Å; K90-R92 PolarHBondContact O-N 3.14Å; K90-R92 VanDerWaalsContact O-N 3.14Å; K90-D158 PolarHBondContact N-OD1 3.31Å; K90-E162 WeakPolarHBondContact CD-OE2 3.17Å; K90-E162 IonicContact NZ-OE2 3.53Å; K90-E162 PolarHBondContact NZ-OE2 2.96Å
91	R	59.9	Low	63.9	Low	244 Å²	244	120.1 Å²	120.1	92%	0.921	59%	0.589	S	S	*	*			trans	-66	114.8	176.9	-165.1	178.6	-164.1	179.6	4.9	109	M89	M89-R91 PolarHBondContact O-N 2.81Å
92	R	59.5	Low	66.1	Low	88 Å²	88	118 Å²	118	33%	0.332	58%	0.577	S	S	.	*			trans	-75.3	144.6	176.7	-69.5	179.8	172.9	178.4	-10.4	111.4	K90 F160	K90-R92 PolarHBondContact O-N 3.14Å; K90-R92 VanDerWaalsContact O-N 3.14Å; R92-F160 PolarHBondContact NH2-O 3.37Å
93	N	51.7	Low	68.4	Low	122 Å²	122	113.4 Å²	113.4	65%	0.652	57%	0.572	S	S	*	*			trans	-57.8	145.5	161.4	-70.7	-33.7	0	0	0	109.2	I95	N93-I95 VanDerWaalsContact C-N 3.29Å; N93-I95 PolarHBondContact O-N 3.04Å
94	K	51.9	Low	71.1	Confident	217 Å²	217	102.5 Å²	102.5	94%	0.943	53%	0.53	S	S	*	.			trans	-65.9	90.3	174.7	-86	-175.8	175.5	179.8	0	108.8
95	I	60.7	Low	73.3	Confident	66 Å²	66	97.1 Å²	97.1	34%	0.338	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-66	138.6	166.9	-57.5	165.1	0	0	0	107	N93 P97 D164	N93-I95 VanDerWaalsContact C-N 3.29Å; N93-I95 PolarHBondContact O-N 3.04Å; I95-P97 WeakPolarHBondContact O-CD 3.45Å; I95-D164 WeakPolarHBondContact CD1-O 3.46Å
96	Q	63.1	Low	75	Confident	156 Å²	156	98.4 Å²	98.4	73%	0.729	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-62.5	119.5	174.4	-146.8	-179.7	10.6	0	0	108.3
97	P	66.4	Low	76.2	Confident	100 Å²	100	97.1 Å²	97.1	65%	0.649	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-63.7	148	-176.6	24.7	-32.3	0	0	0	110.4	I95 L99	I95-P97 WeakPolarHBondContact O-CD 3.45Å; P97-L99 PolarHBondContact O-N 3.13Å
98	C	77.7	Confident	76.8	Confident	40 Å²	40	96.9 Å²	96.9	27%	0.27	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-57.9	122.9	172.1	-164.7	0	0	0	0	109.2	S100 C168 H325	C98-S100 VanDerWaalsContact C-N 3.34Å; C98-S100 PolarHBondContact SG-OG 2.96Å; C98-C168 WeakPolarHBondContact CA-SG 3.35Å; C98-C168 HydrophobicContact CB-CB 4.01Å; C98-C168 WeakPolarHBondContact CB-SG 3.4Å; C98-C168 WeakPolarHBondContact SG-CB 3.37Å; C98-C168 CovalentContact SG-SG 2.03Å; C98-C168 PolarHBondContact SG-SG 2.91Å; C98-H325 VanDerWaalsContact SG-CE1 3.55Å; C98-H325 VanDerWaalsContact SG-CG 3.59Å; C98-H325 PolarHBondContact SG-ND1 3.16Å; C98-H325 VanDerWaalsContact SG-ND1 3.44Å
99	L	76.8	Confident	77.1	Confident	169 Å²	169	98.5 Å²	98.5	89%	0.885	49%	0.49	S	S	*	.	S	Bend	trans	-72	-30.5	-174.8	-69.2	170.3	0	0	0	112.2	P97	P97-L99 PolarHBondContact O-N 3.13Å
100	S	84.3	Confident	77.5	Confident	64 Å²	64	97.1 Å²	97.1	45%	0.448	48%	0.482	S	S	.	.	S	Bend	trans	-83	145.7	176.4	42.8	0	0	0	0	111.5	C98 H325	C98-S100 VanDerWaalsContact C-N 3.34Å; C98-S100 PolarHBondContact SG-OG 2.96Å; S100-H325 PolarHBondContact O-CE1 3.33Å; S100-H325 PolarHBondContact OG-CE1 2.96Å; S100-H325 PolarHBondContact OG-NE2 1.98Å
101	K	88.5	Confident	77.3	Confident	169 Å²	169	98 Å²	98	74%	0.735	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-78.4	138.8	166.9	-68.4	-175.2	179.6	-178.8	0	109.6	A105	K101-A105 HydrophobicContact CB-CB 4.34Å
102	P	92.8	Very high	78.1	Confident	28 Å²	28	94.7 Å²	94.7	18%	0.182	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-65.5	152.3	173.8	27.6	-33.3	0	0	0	110.7	F104 A105 H325	P102-F104 HydrophobicContact CB-CD1 4.44Å; P102-F104 HydrophobicContact CB-CD2 4.03Å; P102-F104 HydrophobicContact CB-CE1 4.01Å; P102-F104 HydrophobicContact CB-CE2 3.54Å; P102-F104 HydrophobicContact CB-CG 4.45Å; P102-F104 HydrophobicContact CB-CZ 3.55Å; P102-F104 HydrophobicContact CG-CD2 4.18Å; P102-F104 HydrophobicContact CG-CE2 3.76Å; P102-F104 HydrophobicContact CG-CZ 4.25Å; P102-F104 PolarHBondContact O-N 3.1Å; P102-A105 HydrophobicContact CG-CB 4.03Å; P102-A105 WeakPolarHBondContact O-CB 3.38Å; P102-A105 PolarHBondContact O-N 2.84Å; P102-H325 VanDerWaalsContact CB-O 3.23Å; P102-H325 WeakPolarHBondContact CB-O 3.11Å
103	A	94.8	Very high	79.4	Confident	60 Å²	60	91.3 Å²	91.3	50%	0.496	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-56.8	-37.2	-178.3	0	0	0	0	0	112.5	A105 L377	A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 2.94Å; A103-L377 HydrophobicContact CB-CD2 4.42Å; A103-L377 WeakPolarHBondContact O-CD2 3.5Å
104	F	94.4	Very high	81.2	Confident	1 Å²	1	87.5 Å²	87.5	0%	0.004	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-84.2	10.5	178.6	49.6	-101	0	0	0	114.5	P102 S106 L107 L108 F321 C324 V327 L377	P102-F104 HydrophobicContact CB-CD1 4.44Å; P102-F104 HydrophobicContact CB-CD2 4.03Å; P102-F104 HydrophobicContact CB-CE1 4.01Å; P102-F104 HydrophobicContact CB-CE2 3.54Å; P102-F104 HydrophobicContact CB-CG 4.45Å; P102-F104 HydrophobicContact CB-CZ 3.55Å; P102-F104 HydrophobicContact CG-CD2 4.18Å; P102-F104 HydrophobicContact CG-CE2 3.76Å; P102-F104 HydrophobicContact CG-CZ 4.25Å; P102-F104 PolarHBondContact O-N 3.1Å; F104-S106 PolarHBondContact O-N 3.01Å; F104-S106 VanDerWaalsContact O-N 3.11Å; F104-L107 HydrophobicContact CB-CD1 4.09Å; F104-L107 HydrophobicContact CB-CG 4.45Å; F104-L107 WeakPolarHBondContact O-CB 2.77Å; F104-L107 PolarHBondContact O-N 2.74Å; F104-L108 HydrophobicContact CD2-CD1 4.16Å; F104-L108 HydrophobicContact CE2-CD1 4.33Å; F104-F321 HydrophobicContact CB-CD1 4.12Å; F104-F321 HydrophobicContact CB-CE1 4.09Å; F104-F321 HydrophobicContact CB-CG 4.45Å; F104-F321 HydrophobicContact CB-CZ 4.37Å; F104-F321 AromaticContact CD1-CD1 3.6Å; F104-F321 HydrophobicContact CD1-CD1 3.6Å; F104-F321 AromaticContact CD1-CE1 3.71Å; F104-F321 HydrophobicContact CD1-CE1 3.71Å; F104-F321 HydrophobicContact CD2-CB 3.71Å; F104-F321 AromaticContact CD2-CD1 3.62Å; F104-F321 HydrophobicContact CD2-CD1 3.62Å; F104-F321 HydrophobicContact CD2-CE1 4.38Å; F104-F321 AromaticContact CD2-CG 3.8Å; F104-F321 HydrophobicContact CD2-CG 3.8Å; F104-F321 AromaticContact CE1-CD1 3.86Å; F104-F321 HydrophobicContact CE1-CD1 3.86Å; F104-F321 HydrophobicContact CE1-CE1 4.25Å; F104-F321 HydrophobicContact CE2-CB 3.81Å; F104-F321 AromaticContact CE2-CD1 3.88Å; F104-F321 HydrophobicContact CE2-CD1 3.88Å; F104-F321 HydrophobicContact CE2-CG 4.2Å; F104-F321 VanDerWaalsContact CE2-O 3.23Å; F104-F321 WeakPolarHBondContact CE2-O 3.07Å; F104-F321 HydrophobicContact CG-CB 4.41Å; F104-F321 AromaticContact CG-CD1 3.47Å; F104-F321 HydrophobicContact CG-CD1 3.47Å; F104-F321 VanDerWaalsContact CG-CD1 3.47Å; F104-F321 AromaticContact CG-CE1 3.79Å; F104-F321 HydrophobicContact CG-CE1 3.79Å; F104-F321 HydrophobicContact CG-CG 4Å; F104-F321 AromaticContact CZ-CD1 3.98Å; F104-F321 HydrophobicContact CZ-CD1 3.98Å; F104-C324 WeakPolarHBondContact CZ-O 3.47Å; F104-V327 HydrophobicContact CE1-CB 4.07Å; F104-V327 HydrophobicContact CE1-CG2 3.66Å; F104-V327 HydrophobicContact CZ-CG2 3.88Å; F104-L377 HydrophobicContact CB-CB 4.3Å; F104-L377 WeakPolarHBondContact CD1-O 3.41Å
105	A	92.3	Very high	83.2	Confident	11 Å²	11	77.1 Å²	77.1	9%	0.091	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-55.9	-32.1	-177.7	0	0	0	0	0	113.3	K101 P102 A103 L107 L108	K101-A105 HydrophobicContact CB-CB 4.34Å; P102-A105 HydrophobicContact CG-CB 4.03Å; P102-A105 WeakPolarHBondContact O-CB 3.38Å; P102-A105 PolarHBondContact O-N 2.84Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 2.94Å; A105-L107 PolarHBondContact O-N 3.32Å; A105-L108 PolarHBondContact O-N 2.91Å; A105-L108 VanDerWaalsContact O-N 3.12Å
106	S	92.4	Very high	85	Confident	104 Å²	104	74.2 Å²	74.2	73%	0.727	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-65.6	-20	177.2	56.3	0	0	0	0	113.9	F104 L108	F104-S106 PolarHBondContact O-N 3.01Å; F104-S106 VanDerWaalsContact O-N 3.11Å; S106-L108 VanDerWaalsContact C-N 3.3Å
107	L	91.1	Very high	86.6	Confident	49 Å²	49	66.9 Å²	66.9	26%	0.257	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-81.9	-11.1	176.1	-56	-176.8	0	0	0	112.5	F104 A105 L294 F321 I372 L377	F104-L107 HydrophobicContact CB-CD1 4.09Å; F104-L107 HydrophobicContact CB-CG 4.45Å; F104-L107 WeakPolarHBondContact O-CB 2.77Å; F104-L107 PolarHBondContact O-N 2.74Å; A105-L107 PolarHBondContact O-N 3.32Å; L107-L294 HydrophobicContact CB-CD2 4.07Å; L107-L294 HydrophobicContact CD1-CD2 4.31Å; L107-F321 HydrophobicContact CD1-CE2 3.95Å; L107-F321 HydrophobicContact CD1-CZ 4.4Å; L107-I372 HydrophobicContact CD1-CG2 4.24Å; L107-L377 HydrophobicContact CD1-CD1 3.84Å; L107-L377 HydrophobicContact CD2-CD1 4.48Å; L107-L377 HydrophobicContact CG-CD1 4.25Å
108	L	89.1	Confident	88	Confident	22 Å²	22	62.3 Å²	62.3	12%	0.115	32%	0.324	C	S	.	.			trans	-103.1	127.7	-171.3	-58.9	-178.1	0	0	0	112	F104 A105 S106 F321 Y322	F104-L108 HydrophobicContact CD2-CD1 4.16Å; F104-L108 HydrophobicContact CE2-CD1 4.33Å; A105-L108 PolarHBondContact O-N 2.91Å; A105-L108 VanDerWaalsContact O-N 3.12Å; S106-L108 VanDerWaalsContact C-N 3.3Å; L108-F321 HydrophobicContact CD1-CB 4.42Å; L108-F321 VanDerWaalsContact CD1-O 3.31Å; L108-F321 WeakPolarHBondContact CD1-O 3.42Å; L108-F321 HydrophobicContact CD2-CB 3.8Å; L108-Y322 HydrophobicContact CB-CE1 4.5Å; L108-Y322 HydrophobicContact CD2-CD1 4.3Å; L108-Y322 HydrophobicContact CD2-CD2 4.2Å; L108-Y322 HydrophobicContact CD2-CE1 3.94Å; L108-Y322 HydrophobicContact CD2-CE2 3.82Å; L108-Y322 HydrophobicContact CD2-CG 4.43Å
109	R	83.6	Confident	88.8	Confident	167 Å²	167	61.6 Å²	61.6	63%	0.63	32%	0.321	S	S	*	.	S	Bend	trans	-76.8	-38.1	176.4	-171.9	174.9	178.3	174	0.4	112.5
110	F	81.8	Confident	89.5	Confident	57 Å²	57	55.8 Å²	55.8	25%	0.25	30%	0.297	C	S	.	.			trans	-124.6	121.3	-178.6	-58.5	-74	0	0	0	109.7	Q112 F113 Y129 F285 Y322	F110-Q112 VanDerWaalsContact C-N 3.34Å; F110-F113 HydrophobicContact CB-CB 4.41Å; F110-Y129 HydrophobicContact CB-CE1 4.07Å; F110-Y129 HydrophobicContact CD1-CD1 4.13Å; F110-Y129 AromaticContact CD1-CE1 3.94Å; F110-Y129 HydrophobicContact CD1-CE1 3.94Å; F110-Y129 AromaticContact CD2-CD1 3.57Å; F110-Y129 HydrophobicContact CD2-CD1 3.57Å; F110-Y129 AromaticContact CD2-CE1 3.93Å; F110-Y129 HydrophobicContact CD2-CE1 3.93Å; F110-Y129 HydrophobicContact CE1-CD1 4.17Å; F110-Y129 HydrophobicContact CE1-CE1 4.34Å; F110-Y129 AromaticContact CE2-CD1 3.63Å; F110-Y129 HydrophobicContact CE2-CD1 3.63Å; F110-Y129 HydrophobicContact CE2-CE1 4.35Å; F110-Y129 AromaticContact CG-CD1 3.84Å; F110-Y129 HydrophobicContact CG-CD1 3.84Å; F110-Y129 AromaticContact CG-CE1 3.71Å; F110-Y129 HydrophobicContact CG-CE1 3.71Å; F110-Y129 AromaticContact CZ-CD1 3.92Å; F110-Y129 HydrophobicContact CZ-CD1 3.92Å; F110-F285 HydrophobicContact CD2-CE1 4.17Å; F110-F285 HydrophobicContact CD2-CE2 4.01Å; F110-F285 AromaticContact CD2-CZ 3.49Å; F110-F285 HydrophobicContact CD2-CZ 3.49Å; F110-F285 VanDerWaalsContact CD2-CZ 3.49Å; F110-F285 AromaticContact CE2-CE2 3.8Å; F110-F285 HydrophobicContact CE2-CE2 3.8Å; F110-F285 AromaticContact CE2-CZ 3.76Å; F110-F285 HydrophobicContact CE2-CZ 3.76Å; F110-Y322 VanDerWaalsContact O-CE1 3.29Å; F110-Y322 WeakPolarHBondContact O-CE1 3.48Å
111	H	71.6	Confident	90	Very high	125 Å²	125	55.7 Å²	55.7	58%	0.579	29%	0.292	S	S	*	.	S	Bend	trans	-81.2	-17.8	-176.2	-67.5	63.4	0	0	0	112.8
112	Q	76	Confident	90.4	Very high	174 Å²	174	47.9 Å²	47.9	81%	0.813	26%	0.258	S	S	*	.	S	Bend	trans	-123.7	97.6	174.2	-66.7	178.3	9.8	0	0	107.4	F110 Y129	F110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-Y129 PolarHBondContact O-OH 3.14Å
113	F	85.8	Confident	90.5	Very high	16 Å²	16	52 Å²	52	7%	0.07	27%	0.27	C	S	.	.			trans	-136.2	127.7	-179.9	178.9	-100.4	0	0	0	108.9	F110 P115 Y129 D283 F285 I286 Y322	F110-F113 HydrophobicContact CB-CB 4.41Å; F113-P115 HydrophobicContact CD1-CB 4.36Å; F113-P115 HydrophobicContact CE1-CB 4.04Å; F113-Y129 AromaticContact CD2-CD1 3.93Å; F113-Y129 HydrophobicContact CD2-CD1 3.93Å; F113-Y129 AromaticContact CD2-CD2 3.68Å; F113-Y129 HydrophobicContact CD2-CD2 3.68Å; F113-Y129 AromaticContact CD2-CE1 3.76Å; F113-Y129 HydrophobicContact CD2-CE1 3.76Å; F113-Y129 AromaticContact CD2-CE2 3.49Å; F113-Y129 HydrophobicContact CD2-CE2 3.49Å; F113-Y129 VanDerWaalsContact CD2-CE2 3.49Å; F113-Y129 AromaticContact CD2-CG 3.88Å; F113-Y129 HydrophobicContact CD2-CG 3.88Å; F113-Y129 AromaticContact CD2-CZ 3.53Å; F113-Y129 HydrophobicContact CE2-CD1 4.24Å; F113-Y129 AromaticContact CE2-CD2 3.41Å; F113-Y129 HydrophobicContact CE2-CD2 3.41Å; F113-Y129 VanDerWaalsContact CE2-CD2 3.41Å; F113-Y129 HydrophobicContact CE2-CE1 4.44Å; F113-Y129 AromaticContact CE2-CE2 3.65Å; F113-Y129 HydrophobicContact CE2-CE2 3.65Å; F113-Y129 AromaticContact CE2-CG 3.72Å; F113-Y129 HydrophobicContact CE2-CG 3.72Å; F113-D283 HydrophobicContact CE1-CB 4.46Å; F113-D283 HydrophobicContact CZ-CB 3.81Å; F113-F285 HydrophobicContact CD1-CD1 4.11Å; F113-F285 HydrophobicContact CD1-CE1 4.45Å; F113-F285 AromaticContact CD2-CD1 3.94Å; F113-F285 HydrophobicContact CD2-CD1 3.94Å; F113-F285 HydrophobicContact CD2-CE1 4.15Å; F113-F285 AromaticContact CE1-CD1 3.65Å; F113-F285 HydrophobicContact CE1-CD1 3.65Å; F113-F285 HydrophobicContact CE1-CE1 4.42Å; F113-F285 HydrophobicContact CE1-CG 4.48Å; F113-F285 HydrophobicContact CE2-CB 4.07Å; F113-F285 AromaticContact CE2-CD1 3.5Å; F113-F285 HydrophobicContact CE2-CD1 3.5Å; F113-F285 VanDerWaalsContact CE2-CD1 3.5Å; F113-F285 HydrophobicContact CE2-CE1 4.16Å; F113-F285 AromaticContact CE2-CG 3.85Å; F113-F285 HydrophobicContact CE2-CG 3.85Å; F113-F285 HydrophobicContact CG-CD1 4.25Å; F113-F285 HydrophobicContact CG-CE1 4.33Å; F113-F285 HydrophobicContact CZ-CB 3.69Å; F113-F285 AromaticContact CZ-CD1 3.36Å; F113-F285 HydrophobicContact CZ-CD1 3.36Å; F113-F285 HydrophobicContact CZ-CE1 4.31Å; F113-F285 AromaticContact CZ-CG 3.79Å; F113-F285 HydrophobicContact CZ-CG 3.79Å; F113-I286 HydrophobicContact CD1-CD1 3.94Å; F113-I286 HydrophobicContact CE1-CD1 3.52Å; F113-I286 HydrophobicContact CE1-CG1 3.85Å; F113-Y322 HydrophobicContact CB-CD1 3.68Å; F113-Y322 HydrophobicContact CB-CE1 3.97Å; F113-Y322 AromaticContact CD1-CD1 3.98Å; F113-Y322 HydrophobicContact CD1-CD1 3.98Å; F113-Y322 HydrophobicContact CD1-CE1 4.36Å; F113-Y322 HydrophobicContact CD1-CG 4.11Å; F113-Y322 HydrophobicContact CG-CD1 4.15Å; F113-Y322 HydrophobicContact CG-CE1 4.31Å
114	H	90.1	Very high	90.5	Very high	42 Å²	42	57 Å²	57	19%	0.194	28%	0.28	C	S	.	.			trans	-94.7	117.3	174.5	-175.3	67.1	0	0	0	109	F116 C157	H114-F116 VanDerWaalsContact C-N 3.31Å; H114-F116 PolarHBondContact CD2-O 3.05Å; H114-F116 PolarHBondContact NE2-O 3.46Å; H114-F116 PolarHBondContact O-N 3.26Å; H114-C157 PolarHBondContact CE1-O 3Å; H114-C157 PolarHBondContact NE2-O 3.48Å
115	P	94.8	Very high	90.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.			trans	-82.3	-3.8	-166.8	33.7	-38	0	0	0	115.1	F113 L159 L282 D283 I286 L319 I323	F113-P115 HydrophobicContact CD1-CB 4.36Å; F113-P115 HydrophobicContact CE1-CB 4.04Å; P115-L159 HydrophobicContact CG-CD1 4.03Å; P115-L282 HydrophobicContact CB-CD1 4.38Å; P115-D283 PolarHBondContact O-N 3.2Å; P115-I286 HydrophobicContact CB-CD1 4.31Å; P115-I286 HydrophobicContact CB-CG1 4.21Å; P115-L319 HydrophobicContact CB-CD1 3.5Å; P115-L319 VanDerWaalsContact CB-CD1 3.5Å; P115-L319 HydrophobicContact CG-CD1 3.63Å; P115-I323 HydrophobicContact CG-CG2 3.75Å
116	F	97.1	Very high	90.5	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.018	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-115	134.5	-176.3	-54.7	-33.5	0	0	0	111.1	H114 L159 F216 I238 R280 I281 L282 L319	H114-F116 VanDerWaalsContact C-N 3.31Å; H114-F116 PolarHBondContact CD2-O 3.05Å; H114-F116 PolarHBondContact NE2-O 3.46Å; H114-F116 PolarHBondContact O-N 3.26Å; F116-L159 HydrophobicContact CD2-CB 4.24Å; F116-L159 HydrophobicContact CD2-CD1 4.29Å; F116-L159 HydrophobicContact CE2-CB 4.21Å; F116-L159 HydrophobicContact CE2-CD1 3.54Å; F116-L159 HydrophobicContact CE2-CG 4.49Å; F116-L159 HydrophobicContact CZ-CD1 3.91Å; F116-F216 HydrophobicContact CE2-CE1 4.15Å; F116-F216 HydrophobicContact CZ-CD1 4.43Å; F116-F216 HydrophobicContact CZ-CE1 4.19Å; F116-I238 HydrophobicContact CE1-CD1 3.64Å; F116-I238 HydrophobicContact CE1-CG1 3.88Å; F116-I238 HydrophobicContact CE1-CG2 3.99Å; F116-I238 HydrophobicContact CZ-CD1 3.54Å; F116-I238 HydrophobicContact CZ-CG1 3.93Å; F116-R280 HydrophobicContact CB-CB 4.3Å; F116-R280 HydrophobicContact CD1-CB 3.97Å; F116-R280 HydrophobicContact CD2-CB 4.02Å; F116-R280 HydrophobicContact CD2-CG 3.76Å; F116-R280 HydrophobicContact CE1-CB 4.35Å; F116-R280 HydrophobicContact CE2-CB 4.34Å; F116-R280 HydrophobicContact CE2-CG 3.99Å; F116-R280 HydrophobicContact CG-CB 3.84Å; F116-R280 HydrophobicContact CG-CG 4.09Å; F116-I281 WeakPolarHBondContact CA-O 3.18Å; F116-L282 HydrophobicContact CD1-CD1 4.42Å; F116-L282 HydrophobicContact CE1-CD1 4.22Å; F116-L319 HydrophobicContact CE1-CD1 4.28Å
117	L	96.6	Very high	90.7	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	27%	0.273	C	S	.	.			trans	-78.6	137	-179.2	-60	178.4	0	0	0	110.8	F122 M140 F147 L151 C157 I281 D283	L117-F122 HydrophobicContact CB-CB 3.98Å; L117-F122 HydrophobicContact CD2-CB 4.11Å; L117-F122 HydrophobicContact CG-CB 4.45Å; L117-M140 HydrophobicContact CD1-CE 3.64Å; L117-M140 HydrophobicContact CD2-CE 4.05Å; L117-F147 HydrophobicContact CD1-CD1 3.57Å; L117-F147 HydrophobicContact CD1-CE1 3.62Å; L117-F147 HydrophobicContact CD1-CG 4.43Å; L117-L151 HydrophobicContact CB-CD1 3.94Å; L117-L151 HydrophobicContact CB-CD2 4.03Å; L117-L151 WeakPolarHBondContact O-CD2 3.12Å; L117-C157 VanDerWaalsContact O-CB 3.31Å; L117-C157 WeakPolarHBondContact O-CB 3.2Å; L117-I281 HydrophobicContact CD1-CG2 4.34Å; L117-I281 PolarHBondContact N-O 3.31Å; L117-D283 HydrophobicContact CD2-CB 3.7Å; L117-D283 WeakPolarHBondContact CD2-OD2 3.45Å; L117-D283 HydrophobicContact CG-CB 4.15Å
118	C	96	Very high	90.8	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.02	29%	0.29	C	S	.	.			trans	-108	143.7	173	-58.4	0	0	0	0	110.9	A120 D121 F122 C157	C118-A120 PolarHBondContact O-N 3.01Å; C118-D121 WeakPolarHBondContact CB-OD1 3.46Å; C118-D121 PolarHBondContact O-N 3.34Å; C118-F122 VanDerWaalsContact O-CB 3.27Å; C118-F122 WeakPolarHBondContact O-CB 3.18Å; C118-F122 PolarHBondContact O-N 2.97Å; C118-C157 HydrophobicContact CB-CB 3.83Å; C118-C157 WeakPolarHBondContact CB-SG 3.19Å; C118-C157 WeakPolarHBondContact SG-CB 3.3Å; C118-C157 CovalentContact SG-SG 2.02Å; C118-C157 PolarHBondContact SG-SG 3.33Å
119	A	94.8	Very high	91	Very high	25 Å²	25	60.2 Å²	60.2	21%	0.207	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.6	-177.8	0	0	0	0	0	112.4	P86 V87 L151	P86-A119 HydrophobicContact CB-CB 4.15Å; V87-A119 PolarHBondContact O-N 2.9Å; A119-L151 HydrophobicContact CB-CB 4.05Å
120	A	93	Very high	91.5	Very high	47 Å²	47	52.7 Å²	52.7	39%	0.388	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.9	-175.8	0	0	0	0	0	114.6	P86 V87 E88 C118	P86-A120 HydrophobicContact CB-CB 4.33Å; P86-A120 HydrophobicContact CG-CB 4.33Å; V87-A120 PolarHBondContact O-N 3.43Å; E88-A120 HydrophobicContact CG-CB 3.42Å; E88-A120 VanDerWaalsContact CG-CB 3.42Å; C118-A120 PolarHBondContact O-N 3.01Å
121	D	93.8	Very high	92.1	Very high	62 Å²	62	50 Å²	50	33%	0.332	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	2	-167.1	72.4	-11.8	0	0	0	115.6	C118 R123 K124 I125	C118-D121 WeakPolarHBondContact CB-OD1 3.46Å; C118-D121 PolarHBondContact O-N 3.34Å; D121-R123 PolarHBondContact O-N 3.42Å; D121-K124 WeakPolarHBondContact O-CA 3.2Å; D121-K124 WeakPolarHBondContact O-CB 2.94Å; D121-K124 PolarHBondContact O-N 3.05Å; D121-I125 HydrophobicContact CB-CG1 4.48Å; D121-I125 PolarHBondContact O-N 3.4Å
122	F	95.8	Very high	93.2	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-52.9	-33.2	-173.1	78.1	-79.6	0	0	0	114.3	L117 C118 A126 M140 F147 R148 L151	L117-F122 HydrophobicContact CB-CB 3.98Å; L117-F122 HydrophobicContact CD2-CB 4.11Å; L117-F122 HydrophobicContact CG-CB 4.45Å; C118-F122 VanDerWaalsContact O-CB 3.27Å; C118-F122 WeakPolarHBondContact O-CB 3.18Å; C118-F122 PolarHBondContact O-N 2.97Å; F122-A126 WeakPolarHBondContact O-CB 3.42Å; F122-A126 PolarHBondContact O-N 3.37Å; F122-M140 HydrophobicContact CD2-CE 4.4Å; F122-M140 HydrophobicContact CD2-SD 3.64Å; F122-M140 HydrophobicContact CE2-SD 3.95Å; F122-F147 HydrophobicContact CD2-CB 4.28Å; F122-F147 HydrophobicContact CE2-CB 3.86Å; F122-F147 HydrophobicContact CZ-CB 4.43Å; F122-R148 HydrophobicContact CE1-CB 4.11Å; F122-R148 HydrophobicContact CE1-CG 4.29Å; F122-R148 HydrophobicContact CZ-CB 3.84Å; F122-R148 HydrophobicContact CZ-CG 4.45Å; F122-L151 HydrophobicContact CB-CD1 3.97Å; F122-L151 HydrophobicContact CD1-CD1 3.78Å; F122-L151 HydrophobicContact CD2-CD1 4.24Å; F122-L151 HydrophobicContact CE1-CD1 4.34Å; F122-L151 HydrophobicContact CG-CD1 3.73Å
123	R	95.7	Very high	94.2	Very high	115 Å²	115	45.2 Å²	45.2	43%	0.434	23%	0.231	S	C	.	.	H	α-helix	trans	-69	-40.5	177.1	-66.1	-173.5	-178.1	-111.1	-1.4	112.6	D121 A126 S127 E145	D121-R123 PolarHBondContact O-N 3.42Å; R123-A126 PolarHBondContact O-N 2.93Å; R123-S127 PolarHBondContact O-N 2.76Å; R123-E145 IonicContact CZ-OE1 3.64Å; R123-E145 IonicContact NH2-OE1 3.66Å; R123-E145 PolarHBondContact NH2-OE1 3.47Å
124	K	95.2	Very high	94.7	Very high	163 Å²	163	47.4 Å²	47.4	71%	0.709	24%	0.24	S	C	*	.	H	α-helix	trans	-64.6	-46.7	176.4	179.2	-174.6	174.1	-174.6	0	109.7	D121 A126 S127 L128	D121-K124 WeakPolarHBondContact O-CA 3.2Å; D121-K124 WeakPolarHBondContact O-CB 2.94Å; D121-K124 PolarHBondContact O-N 3.05Å; K124-A126 VanDerWaalsContact C-N 3.34Å; K124-S127 PolarHBondContact O-N 3.2Å; K124-L128 PolarHBondContact O-N 2.99Å
125	I	93.3	Very high	94.9	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.185	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-45	175.5	-63.2	-55.5	0	0	0	110.9	D121 S127 L128 Y129	D121-I125 HydrophobicContact CB-CG1 4.48Å; D121-I125 PolarHBondContact O-N 3.4Å; I125-S127 VanDerWaalsContact C-N 3.29Å; I125-S127 PolarHBondContact O-N 2.94Å; I125-L128 WeakPolarHBondContact O-CB 3.46Å; I125-L128 PolarHBondContact O-N 3.42Å; I125-Y129 HydrophobicContact CG2-CD2 3.67Å; I125-Y129 HydrophobicContact CG2-CE2 3.83Å; I125-Y129 VanDerWaalsContact O-CD2 3.32Å; I125-Y129 WeakPolarHBondContact O-CD2 3.35Å; I125-Y129 PolarHBondContact O-N 2.8Å
126	A	94.3	Very high	95	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-37.5	176.7	0	0	0	0	0	112.5	F122 R123 K124 G130 S131 D132 M140	F122-A126 WeakPolarHBondContact O-CB 3.42Å; F122-A126 PolarHBondContact O-N 3.37Å; R123-A126 PolarHBondContact O-N 2.93Å; K124-A126 VanDerWaalsContact C-N 3.34Å; A126-G130 CarbonylContact O-C 3.6Å; A126-G130 VanDerWaalsContact O-C 3.3Å; A126-G130 VanDerWaalsContact O-CA 3.26Å; A126-G130 WeakPolarHBondContact O-CA 3.3Å; A126-G130 PolarHBondContact O-N 2.81Å; A126-S131 PolarHBondContact O-N 2.94Å; A126-D132 PolarHBondContact O-N 3.22Å; A126-M140 HydrophobicContact CB-CE 3.73Å; A126-M140 HydrophobicContact CB-CG 4.05Å; A126-M140 HydrophobicContact CB-SD 3.41Å; A126-M140 WeakPolarHBondContact CB-SD 3.17Å
127	S	95.4	Very high	95	Very high	68 Å²	68	49.1 Å²	49.1	48%	0.476	25%	0.252	S	S	.	.	H	α-helix	trans	-70.3	-42.3	175.2	-158.9	0	0	0	0	112.4	R123 K124 I125 Y129 G130 D132	R123-S127 PolarHBondContact O-N 2.76Å; K124-S127 PolarHBondContact O-N 3.2Å; I125-S127 VanDerWaalsContact C-N 3.29Å; I125-S127 PolarHBondContact O-N 2.94Å; S127-Y129 VanDerWaalsContact C-N 3.35Å; S127-Y129 PolarHBondContact O-N 2.86Å; S127-G130 PolarHBondContact O-N 3.42Å; S127-D132 WeakPolarHBondContact CA-OD2 3.19Å; S127-D132 WeakPolarHBondContact CB-OD2 3.45Å; S127-D132 PolarHBondContact OG-OD2 2.75Å
128	L	93.4	Very high	95	Very high	117 Å²	117	50 Å²	50	61%	0.613	26%	0.255	S	S	*	.	H	α-helix	trans	-57.8	-45.6	177.5	179.5	63	0	0	0	112.1	K124 I125	K124-L128 PolarHBondContact O-N 2.99Å; I125-L128 WeakPolarHBondContact O-CB 3.46Å; I125-L128 PolarHBondContact O-N 3.42Å
129	Y	92.8	Very high	95	Very high	33 Å²	33	49.9 Å²	49.9	13%	0.129	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2.1	-179.4	-58.5	-63.9	0	0	0	113.2	F110 Q112 F113 I125 S127 S131 R288	F110-Y129 HydrophobicContact CB-CE1 4.07Å; F110-Y129 HydrophobicContact CD1-CD1 4.13Å; F110-Y129 AromaticContact CD1-CE1 3.94Å; F110-Y129 HydrophobicContact CD1-CE1 3.94Å; F110-Y129 AromaticContact CD2-CD1 3.57Å; F110-Y129 HydrophobicContact CD2-CD1 3.57Å; F110-Y129 AromaticContact CD2-CE1 3.93Å; F110-Y129 HydrophobicContact CD2-CE1 3.93Å; F110-Y129 HydrophobicContact CE1-CD1 4.17Å; F110-Y129 HydrophobicContact CE1-CE1 4.34Å; F110-Y129 AromaticContact CE2-CD1 3.63Å; F110-Y129 HydrophobicContact CE2-CD1 3.63Å; F110-Y129 HydrophobicContact CE2-CE1 4.35Å; F110-Y129 AromaticContact CG-CD1 3.84Å; F110-Y129 HydrophobicContact CG-CD1 3.84Å; F110-Y129 AromaticContact CG-CE1 3.71Å; F110-Y129 HydrophobicContact CG-CE1 3.71Å; F110-Y129 AromaticContact CZ-CD1 3.92Å; F110-Y129 HydrophobicContact CZ-CD1 3.92Å; Q112-Y129 PolarHBondContact O-OH 3.14Å; F113-Y129 AromaticContact CD2-CD1 3.93Å; F113-Y129 HydrophobicContact CD2-CD1 3.93Å; F113-Y129 AromaticContact CD2-CD2 3.68Å; F113-Y129 HydrophobicContact CD2-CD2 3.68Å; F113-Y129 AromaticContact CD2-CE1 3.76Å; F113-Y129 HydrophobicContact CD2-CE1 3.76Å; F113-Y129 AromaticContact CD2-CE2 3.49Å; F113-Y129 HydrophobicContact CD2-CE2 3.49Å; F113-Y129 VanDerWaalsContact CD2-CE2 3.49Å; F113-Y129 AromaticContact CD2-CG 3.88Å; F113-Y129 HydrophobicContact CD2-CG 3.88Å; F113-Y129 AromaticContact CD2-CZ 3.53Å; F113-Y129 HydrophobicContact CE2-CD1 4.24Å; F113-Y129 AromaticContact CE2-CD2 3.41Å; F113-Y129 HydrophobicContact CE2-CD2 3.41Å; F113-Y129 VanDerWaalsContact CE2-CD2 3.41Å; F113-Y129 HydrophobicContact CE2-CE1 4.44Å; F113-Y129 AromaticContact CE2-CE2 3.65Å; F113-Y129 HydrophobicContact CE2-CE2 3.65Å; F113-Y129 AromaticContact CE2-CG 3.72Å; F113-Y129 HydrophobicContact CE2-CG 3.72Å; I125-Y129 HydrophobicContact CG2-CD2 3.67Å; I125-Y129 HydrophobicContact CG2-CE2 3.83Å; I125-Y129 VanDerWaalsContact O-CD2 3.32Å; I125-Y129 WeakPolarHBondContact O-CD2 3.35Å; I125-Y129 PolarHBondContact O-N 2.8Å; S127-Y129 VanDerWaalsContact C-N 3.35Å; S127-Y129 PolarHBondContact O-N 2.86Å; Y129-S131 PolarHBondContact O-N 2.96Å; Y129-R288 PolarHBondContact O-NH2 2.91Å
130	G	93.9	Very high	95.1	Very high	10 Å²	10	48.9 Å²	48.9	10%	0.103	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	19.1	176.9	0	0	0	0	0	115.4	A126 S127 D132 K133 F134 R288	A126-G130 CarbonylContact O-C 3.6Å; A126-G130 VanDerWaalsContact O-C 3.3Å; A126-G130 VanDerWaalsContact O-CA 3.26Å; A126-G130 WeakPolarHBondContact O-CA 3.3Å; A126-G130 PolarHBondContact O-N 2.81Å; S127-G130 PolarHBondContact O-N 3.42Å; G130-D132 WeakPolarHBondContact CA-OD1 3.34Å; G130-D132 PolarHBondContact O-N 3.14Å; G130-K133 PolarHBondContact O-N 3.49Å; G130-F134 WeakPolarHBondContact O-CD2 3.48Å; G130-R288 PolarHBondContact O-NH1 3.12Å
131	S	94.4	Very high	95.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-65.3	-18.6	170.3	-63.9	0	0	0	0	112.4	A126 Y129 K133 G139 M140 D283	A126-S131 PolarHBondContact O-N 2.94Å; Y129-S131 PolarHBondContact O-N 2.96Å; S131-K133 VanDerWaalsContact C-N 3.25Å; S131-K133 PolarHBondContact O-N 3.17Å; S131-G139 CarbonylContact O-C 3.51Å; S131-G139 WeakPolarHBondContact O-CA 3.49Å; S131-M140 PolarHBondContact O-N 2.78Å; S131-D283 PolarHBondContact OG-OD1 3.04Å
132	D	95.8	Very high	95.5	Very high	57 Å²	57	55.3 Å²	55.3	31%	0.305	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72.7	-11.4	172.9	64.1	-15.5	0	0	0	114.3	A126 S127 G130 R141	A126-D132 PolarHBondContact O-N 3.22Å; S127-D132 WeakPolarHBondContact CA-OD2 3.19Å; S127-D132 WeakPolarHBondContact CB-OD2 3.45Å; S127-D132 PolarHBondContact OG-OD2 2.75Å; G130-D132 WeakPolarHBondContact CA-OD1 3.34Å; G130-D132 PolarHBondContact O-N 3.14Å; D132-R141 WeakPolarHBondContact O-CB 2.89Å; D132-R141 WeakPolarHBondContact O-CG 3.29Å
133	K	96	Very high	95.5	Very high	142 Å²	142	55 Å²	55	62%	0.617	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-91.2	-13	-179	-65	172.1	-171.2	178.3	0	114.1	G130 S131 R141	G130-K133 PolarHBondContact O-N 3.49Å; S131-K133 VanDerWaalsContact C-N 3.25Å; S131-K133 PolarHBondContact O-N 3.17Å; K133-R141 PolarHBondContact O-NH1 3.31Å
134	F	96	Very high	95.6	Very high	61 Å²	61	50.2 Å²	50.2	27%	0.268	25%	0.25	S	C	.	.	S	Bend	trans	-123.2	151.1	-174.3	-63	-98.6	0	0	0	110.3	G130 G139 M140 R141 Y292	G130-F134 WeakPolarHBondContact O-CD2 3.48Å; F134-G139 CarbonylContact O-C 3.56Å; F134-G139 WeakPolarHBondContact O-CA 3.36Å; F134-M140 PolarHBondContact O-N 2.81Å; F134-R141 VanDerWaalsContact O-CB 3.23Å; F134-R141 WeakPolarHBondContact O-CB 3.32Å; F134-R141 PolarHBondContact O-N 2.69Å; F134-Y292 HydrophobicContact CD1-CE2 4.47Å; F134-Y292 HydrophobicContact CE1-CE2 4.15Å
135	D	96	Very high	95.7	Very high	53 Å²	53	47 Å²	47	28%	0.283	24%	0.237	S	C	.	.			trans	-83.1	166.9	169.6	-62.2	-48.5	0	0	0	110.7	Y138 G139 R141 T142	D135-Y138 PolarHBondContact O-N 2.87Å; D135-G139 CarbonylContact C-O 3.59Å; D135-G139 PolarHBondContact O-N 2.83Å; D135-R141 WeakPolarHBondContact OD1-CB 3.44Å; D135-R141 IonicContact OD1-NE 2.78Å; D135-R141 PolarHBondContact OD1-NE 2.8Å; D135-R141 IonicContact OD1-NH2 2.78Å; D135-R141 IonicContact OD2-CZ 2.73Å; D135-R141 IonicContact OD2-NE 3.69Å; D135-R141 IonicContact OD2-NH2 2.65Å; D135-R141 PolarHBondContact OD2-NH2 3.33Å; D135-T142 WeakPolarHBondContact OD1-CB 3.43Å; D135-T142 WeakPolarHBondContact OD1-CG2 3.33Å; D135-T142 PolarHBondContact OD1-N 3.34Å; D135-T142 PolarHBondContact OD1-OG1 2.87Å
136	L	96.1	Very high	95.9	Very high	25 Å²	25	48.7 Å²	48.7	13%	0.131	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.6	170.5	-85.2	170.1	0	0	0	110.3	G139 S143 F147 A241 F242 P244 L247 P284	L136-G139 WeakPolarHBondContact CA-O 3.28Å; L136-G139 PolarHBondContact N-O 3.03Å; L136-S143 WeakPolarHBondContact CD1-OG 3.32Å; L136-S143 WeakPolarHBondContact CG-OG 3.31Å; L136-F147 HydrophobicContact CD1-CE2 4.2Å; L136-F147 HydrophobicContact CD2-CE2 3.93Å; L136-F147 HydrophobicContact CD2-CZ 3.8Å; L136-F147 HydrophobicContact CG-CE2 4.14Å; L136-F147 HydrophobicContact CG-CZ 4.49Å; L136-A241 HydrophobicContact CD2-CB 4.16Å; L136-A241 WeakPolarHBondContact CD2-O 3.45Å; L136-F242 WeakPolarHBondContact CB-O 3.09Å; L136-P244 HydrophobicContact CD1-CG 4.17Å; L136-L247 HydrophobicContact CD1-CD1 4.18Å; L136-P284 HydrophobicContact CD2-CG 4.31Å
137	P	96.3	Very high	96.1	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.032	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.4	6.3	10.5	37.9	-32.3	0	0	0	114.9	W2 F242 P284 I287	W2-P137 HydrophobicContact CH2-CB 3.47Å; W2-P137 VanDerWaalsContact CH2-CB 3.47Å; W2-P137 VanDerWaalsContact CH2-CD 3.44Å; W2-P137 HydrophobicContact CH2-CG 3.34Å; W2-P137 HydrophobicContact CZ2-CB 3.41Å; W2-P137 VanDerWaalsContact CZ2-CB 3.41Å; W2-P137 HydrophobicContact CZ2-CG 3.44Å; W2-P137 VanDerWaalsContact CZ2-CG 3.44Å; W2-P137 HydrophobicContact CZ3-CG 4.49Å; P137-F242 HydrophobicContact CB-CD1 4.06Å; P137-P284 WeakPolarHBondContact O-CB 3.27Å; P137-I287 HydrophobicContact CB-CD1 4.3Å; P137-I287 HydrophobicContact CB-CG2 4.19Å; P137-I287 HydrophobicContact CG-CG2 4.44Å; P137-I287 WeakPolarHBondContact O-CB 3.12Å
138	Y	96.9	Very high	96.2	Very high	21 Å²	21	49.2 Å²	49.2	8%	0.082	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-2.5	-170.9	-53.4	-52.4	0	0	0	113.1	D135 I287 R288 A291 Y292 K308 H309	D135-Y138 PolarHBondContact O-N 2.87Å; Y138-I287 HydrophobicContact CD1-CG2 4.11Å; Y138-I287 HydrophobicContact CE1-CG2 4.09Å; Y138-R288 HydrophobicContact CD1-CB 4.26Å; Y138-R288 WeakPolarHBondContact O-CD 3.44Å; Y138-R288 PolarHBondContact O-NH1 3.16Å; Y138-A291 HydrophobicContact CD1-CB 4.23Å; Y138-A291 HydrophobicContact CE1-CB 3.51Å; Y138-Y292 HydrophobicContact CD2-CE2 4.4Å; Y138-Y292 AromaticContact CD2-CZ 3.94Å; Y138-Y292 VanDerWaalsContact CD2-OH 3.22Å; Y138-Y292 WeakPolarHBondContact CD2-OH 3.42Å; Y138-Y292 VanDerWaalsContact CE2-OH 3.31Å; Y138-Y292 WeakPolarHBondContact CE2-OH 3.25Å; Y138-Y292 HydrophobicContact CG-CE2 4.34Å; Y138-K308 PolarHBondContact OH-O 2.94Å; Y138-H309 AromaticContact CZ-ND1 3.52Å; Y138-H309 PolarHBondContact OH-CE1 3.49Å; Y138-H309 PolarHBondContact OH-ND1 3.29Å
139	G	96.8	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.			trans	-169.9	-162.5	178.4	0	0	0	0	0	111.1	S131 F134 D135 L136	S131-G139 CarbonylContact O-C 3.51Å; S131-G139 WeakPolarHBondContact O-CA 3.49Å; F134-G139 CarbonylContact O-C 3.56Å; F134-G139 WeakPolarHBondContact O-CA 3.36Å; D135-G139 CarbonylContact C-O 3.59Å; D135-G139 PolarHBondContact O-N 2.83Å; L136-G139 WeakPolarHBondContact CA-O 3.28Å; L136-G139 PolarHBondContact N-O 3.03Å
140	M	96.8	Very high	96.6	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.02	21%	0.213	C	C	.	.			trans	-137	15.1	-175.3	64	-178.8	72.7	0	0	114.1	L117 F122 A126 S131 F134 T142 S143 A144 F147 P284	L117-M140 HydrophobicContact CD1-CE 3.64Å; L117-M140 HydrophobicContact CD2-CE 4.05Å; F122-M140 HydrophobicContact CD2-CE 4.4Å; F122-M140 HydrophobicContact CD2-SD 3.64Å; F122-M140 HydrophobicContact CE2-SD 3.95Å; A126-M140 HydrophobicContact CB-CE 3.73Å; A126-M140 HydrophobicContact CB-CG 4.05Å; A126-M140 HydrophobicContact CB-SD 3.41Å; A126-M140 WeakPolarHBondContact CB-SD 3.17Å; S131-M140 PolarHBondContact O-N 2.78Å; F134-M140 PolarHBondContact O-N 2.81Å; M140-T142 PolarHBondContact O-N 2.98Å; M140-S143 WeakPolarHBondContact CA-OG 3.29Å; M140-S143 CarbonylContact O-C 3.43Å; M140-S143 PolarHBondContact O-N 2.89Å; M140-A144 PolarHBondContact O-N 3.01Å; M140-F147 HydrophobicContact CB-CD2 3.62Å; M140-F147 HydrophobicContact CB-CE2 3.49Å; M140-F147 VanDerWaalsContact CB-CE2 3.49Å; M140-F147 HydrophobicContact CB-CZ 4.39Å; M140-P284 HydrophobicContact CE-CG 4.41Å
141	R	96.7	Very high	96.8	Very high	143 Å²	143	44.8 Å²	44.8	54%	0.54	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-53.8	-173	-178.8	174.3	62.8	177.2	3.4	113.4	D132 K133 F134 D135	D132-R141 WeakPolarHBondContact O-CB 2.89Å; D132-R141 WeakPolarHBondContact O-CG 3.29Å; K133-R141 PolarHBondContact O-NH1 3.31Å; F134-R141 VanDerWaalsContact O-CB 3.23Å; F134-R141 WeakPolarHBondContact O-CB 3.32Å; F134-R141 PolarHBondContact O-N 2.69Å; D135-R141 WeakPolarHBondContact OD1-CB 3.44Å; D135-R141 IonicContact OD1-NE 2.78Å; D135-R141 PolarHBondContact OD1-NE 2.8Å; D135-R141 IonicContact OD1-NH2 2.78Å; D135-R141 IonicContact OD2-CZ 2.73Å; D135-R141 IonicContact OD2-NE 3.69Å; D135-R141 IonicContact OD2-NH2 2.65Å; D135-R141 PolarHBondContact OD2-NH2 3.33Å
142	T	97.2	Very high	96.9	Very high	101 Å²	101	47.4 Å²	47.4	62%	0.62	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-3.7	179.5	50.7	0	0	0	0	114.4	D135 M140	D135-T142 WeakPolarHBondContact OD1-CB 3.43Å; D135-T142 WeakPolarHBondContact OD1-CG2 3.33Å; D135-T142 PolarHBondContact OD1-N 3.34Å; D135-T142 PolarHBondContact OD1-OG1 2.87Å; M140-T142 PolarHBondContact O-N 2.98Å
143	S	97.3	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119	7.3	-173.2	59.8	0	0	0	0	114.3	L136 M140 E145 Y146 F147	L136-S143 WeakPolarHBondContact CD1-OG 3.32Å; L136-S143 WeakPolarHBondContact CG-OG 3.31Å; M140-S143 WeakPolarHBondContact CA-OG 3.29Å; M140-S143 CarbonylContact O-C 3.43Å; M140-S143 PolarHBondContact O-N 2.89Å; S143-E145 PolarHBondContact O-N 2.78Å; S143-E145 VanDerWaalsContact O-N 3.13Å; S143-Y146 WeakPolarHBondContact O-CA 3.49Å; S143-Y146 WeakPolarHBondContact O-CB 3.28Å; S143-Y146 PolarHBondContact O-N 3.15Å; S143-F147 WeakPolarHBondContact O-CD2 3.48Å; S143-F147 PolarHBondContact O-N 3.22Å; S143-F147 VanDerWaalsContact O-N 3.12Å; S143-F147 WeakPolarHBondContact OG-CE2 3.27Å
144	A	96.9	Very high	96.9	Very high	15 Å²	15	42.7 Å²	42.7	12%	0.124	21%	0.205	C	C	.	.	H	α-helix	trans	-54.7	-34.8	-176.4	0	0	0	0	0	113.8	M140 F147 R148	M140-A144 PolarHBondContact O-N 3.01Å; A144-F147 PolarHBondContact O-N 3.44Å; A144-R148 PolarHBondContact O-N 2.93Å
145	E	97.1	Very high	96.8	Very high	94 Å²	94	45.6 Å²	45.6	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-67.9	-38.3	174.6	-72.2	-50.7	127.3	0	0	113.1	R123 S143 F147 R148 L149	R123-E145 IonicContact CZ-OE1 3.64Å; R123-E145 IonicContact NH2-OE1 3.66Å; R123-E145 PolarHBondContact NH2-OE1 3.47Å; S143-E145 PolarHBondContact O-N 2.78Å; S143-E145 VanDerWaalsContact O-N 3.13Å; E145-F147 VanDerWaalsContact C-N 3.31Å; E145-F147 PolarHBondContact O-N 3.13Å; E145-R148 PolarHBondContact O-N 3.48Å; E145-R148 IonicContact OE2-CZ 2.74Å; E145-R148 IonicContact OE2-NE 3.76Å; E145-R148 PolarHBondContact OE2-NE 3.39Å; E145-R148 IonicContact OE2-NH2 2.76Å; E145-R148 PolarHBondContact OE2-NH2 2.9Å; E145-L149 WeakPolarHBondContact O-CG 3.17Å; E145-L149 PolarHBondContact O-N 3.29Å
146	Y	97.9	Very high	96.8	Very high	73 Å²	73	43.9 Å²	43.9	29%	0.286	21%	0.211	S	C	.	.	H	α-helix	trans	-63.1	-41	174.7	-70.7	-87	0	0	0	111.2	S143 A150 P244 R248	S143-Y146 WeakPolarHBondContact O-CA 3.49Å; S143-Y146 WeakPolarHBondContact O-CB 3.28Å; S143-Y146 PolarHBondContact O-N 3.15Å; Y146-A150 WeakPolarHBondContact O-CB 3.34Å; Y146-A150 PolarHBondContact O-N 2.99Å; Y146-P244 HydrophobicContact CD1-CB 4.28Å; Y146-P244 HydrophobicContact CD2-CB 3.9Å; Y146-P244 HydrophobicContact CE1-CB 4.27Å; Y146-P244 HydrophobicContact CE2-CB 3.88Å; Y146-P244 HydrophobicContact CG-CB 4.1Å; Y146-R248 HydrophobicContact CD1-CB 4.24Å; Y146-R248 HydrophobicContact CE1-CB 4.2Å; Y146-R248 PolarHBondContact OH-NH2 3.47Å
147	F	98.2	Very high	96.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-48.7	173.4	-81.6	-79.5	0	0	0	111.3	L117 F122 L136 M140 S143 A144 E145 L149 A150 L151 A241 L247 I281 P284	L117-F147 HydrophobicContact CD1-CD1 3.57Å; L117-F147 HydrophobicContact CD1-CE1 3.62Å; L117-F147 HydrophobicContact CD1-CG 4.43Å; F122-F147 HydrophobicContact CD2-CB 4.28Å; F122-F147 HydrophobicContact CE2-CB 3.86Å; F122-F147 HydrophobicContact CZ-CB 4.43Å; L136-F147 HydrophobicContact CD1-CE2 4.2Å; L136-F147 HydrophobicContact CD2-CE2 3.93Å; L136-F147 HydrophobicContact CD2-CZ 3.8Å; L136-F147 HydrophobicContact CG-CE2 4.14Å; L136-F147 HydrophobicContact CG-CZ 4.49Å; M140-F147 HydrophobicContact CB-CD2 3.62Å; M140-F147 HydrophobicContact CB-CE2 3.49Å; M140-F147 VanDerWaalsContact CB-CE2 3.49Å; M140-F147 HydrophobicContact CB-CZ 4.39Å; S143-F147 WeakPolarHBondContact O-CD2 3.48Å; S143-F147 PolarHBondContact O-N 3.22Å; S143-F147 VanDerWaalsContact O-N 3.12Å; S143-F147 WeakPolarHBondContact OG-CE2 3.27Å; A144-F147 PolarHBondContact O-N 3.44Å; E145-F147 VanDerWaalsContact C-N 3.31Å; E145-F147 PolarHBondContact O-N 3.13Å; F147-L149 VanDerWaalsContact C-N 3.32Å; F147-L149 PolarHBondContact O-N 2.88Å; F147-A150 PolarHBondContact O-N 3.35Å; F147-L151 HydrophobicContact CB-CD1 4.47Å; F147-L151 VanDerWaalsContact O-CB 3.26Å; F147-L151 WeakPolarHBondContact O-CB 3.47Å; F147-L151 WeakPolarHBondContact O-CG 3.45Å; F147-L151 PolarHBondContact O-N 3.46Å; F147-A241 HydrophobicContact CE1-CB 4.41Å; F147-A241 HydrophobicContact CZ-CB 4.26Å; F147-L247 HydrophobicContact CD1-CD1 3.95Å; F147-L247 HydrophobicContact CD1-CD2 3.93Å; F147-L247 HydrophobicContact CD2-CD1 3.6Å; F147-L247 HydrophobicContact CE1-CD1 4.01Å; F147-L247 HydrophobicContact CE1-CD2 4.01Å; F147-L247 HydrophobicContact CE2-CD1 3.66Å; F147-L247 HydrophobicContact CG-CD1 3.76Å; F147-L247 HydrophobicContact CG-CD2 4.45Å; F147-L247 HydrophobicContact CZ-CD1 3.87Å; F147-I281 HydrophobicContact CD1-CG2 3.92Å; F147-I281 HydrophobicContact CE1-CG2 3.61Å; F147-P284 HydrophobicContact CE1-CG 4.38Å; F147-P284 HydrophobicContact CE2-CG 4.34Å; F147-P284 HydrophobicContact CZ-CG 3.65Å
148	R	97.8	Very high	96.5	Very high	80 Å²	80	43.4 Å²	43.4	30%	0.302	21%	0.209	S	C	.	.	H	α-helix	trans	-54.6	-48.3	178.9	-169.4	-171.5	64.2	76.5	0	111.8	F122 A144 E145 S152	F122-R148 HydrophobicContact CE1-CB 4.11Å; F122-R148 HydrophobicContact CE1-CG 4.29Å; F122-R148 HydrophobicContact CZ-CB 3.84Å; F122-R148 HydrophobicContact CZ-CG 4.45Å; A144-R148 PolarHBondContact O-N 2.93Å; E145-R148 PolarHBondContact O-N 3.48Å; E145-R148 IonicContact OE2-CZ 2.74Å; E145-R148 IonicContact OE2-NE 3.76Å; E145-R148 PolarHBondContact OE2-NE 3.39Å; E145-R148 IonicContact OE2-NH2 2.76Å; E145-R148 PolarHBondContact OE2-NH2 2.9Å; R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 3.23Å; R148-S152 VanDerWaalsContact O-N 3.08Å
149	L	97.1	Very high	96.1	Very high	63 Å²	63	43 Å²	43	33%	0.33	21%	0.209	S	C	.	.	H	α-helix	trans	-66.2	-46.6	-178.5	-69.1	170.4	0	0	0	111.6	E145 F147 S152 L251	E145-L149 WeakPolarHBondContact O-CG 3.17Å; E145-L149 PolarHBondContact O-N 3.29Å; F147-L149 VanDerWaalsContact C-N 3.32Å; F147-L149 PolarHBondContact O-N 2.88Å; L149-S152 PolarHBondContact O-N 3.13Å; L149-S152 PolarHBondContact O-OG 3.48Å; L149-L251 HydrophobicContact CB-CD1 4.37Å; L149-L251 HydrophobicContact CB-CD2 3.83Å; L149-L251 HydrophobicContact CD1-CD2 4.21Å
150	A	97.8	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-45	178.5	0	0	0	0	0	112	Y146 F147 S152 K153 L247 L250 I281	Y146-A150 WeakPolarHBondContact O-CB 3.34Å; Y146-A150 PolarHBondContact O-N 2.99Å; F147-A150 PolarHBondContact O-N 3.35Å; A150-S152 PolarHBondContact O-N 2.73Å; A150-K153 PolarHBondContact O-N 2.86Å; A150-K153 VanDerWaalsContact O-N 3.14Å; A150-L247 HydrophobicContact CB-CB 4.37Å; A150-L247 HydrophobicContact CB-CD2 4.1Å; A150-L250 HydrophobicContact CB-CD2 4.36Å; A150-I281 HydrophobicContact CB-CD1 3.83Å
151	L	97.8	Very high	94.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-32.9	177.5	-72.7	169.7	0	0	0	112.5	L117 A119 F122 F147 K153 L154 I281	L117-L151 HydrophobicContact CB-CD1 3.94Å; L117-L151 HydrophobicContact CB-CD2 4.03Å; L117-L151 WeakPolarHBondContact O-CD2 3.12Å; A119-L151 HydrophobicContact CB-CB 4.05Å; F122-L151 HydrophobicContact CB-CD1 3.97Å; F122-L151 HydrophobicContact CD1-CD1 3.78Å; F122-L151 HydrophobicContact CD2-CD1 4.24Å; F122-L151 HydrophobicContact CE1-CD1 4.34Å; F122-L151 HydrophobicContact CG-CD1 3.73Å; F147-L151 HydrophobicContact CB-CD1 4.47Å; F147-L151 VanDerWaalsContact O-CB 3.26Å; F147-L151 WeakPolarHBondContact O-CB 3.47Å; F147-L151 WeakPolarHBondContact O-CG 3.45Å; F147-L151 PolarHBondContact O-N 3.46Å; L151-K153 PolarHBondContact O-N 3.16Å; L151-K153 VanDerWaalsContact O-N 3.12Å; L151-L154 HydrophobicContact CD2-CD1 4.33Å; L151-L154 PolarHBondContact O-N 3.08Å; L151-L154 VanDerWaalsContact O-N 3.16Å; L151-I281 HydrophobicContact CD2-CB 4.2Å; L151-I281 HydrophobicContact CD2-CD1 3.84Å; L151-I281 HydrophobicContact CD2-CG1 4.22Å; L151-I281 HydrophobicContact CG-CD1 4.06Å
152	S	96.3	Very high	93.6	Very high	56 Å²	56	45.8 Å²	45.8	39%	0.392	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15	178.3	78.4	0	0	0	0	114.2	R148 L149 A150	R148-S152 WeakPolarHBondContact O-CB 3.29Å; R148-S152 PolarHBondContact O-N 3.23Å; R148-S152 VanDerWaalsContact O-N 3.08Å; L149-S152 PolarHBondContact O-N 3.13Å; L149-S152 PolarHBondContact O-OG 3.48Å; A150-S152 PolarHBondContact O-N 2.73Å
153	K	95.9	Very high	92.4	Very high	89 Å²	89	48.1 Å²	48.1	39%	0.387	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-5.2	179.1	-59.4	-57.5	-177.9	174.9	0	113.9	A150 L151 L251 L254 M255	A150-K153 PolarHBondContact O-N 2.86Å; A150-K153 VanDerWaalsContact O-N 3.14Å; L151-K153 PolarHBondContact O-N 3.16Å; L151-K153 VanDerWaalsContact O-N 3.12Å; K153-L251 HydrophobicContact CG-CD1 3.69Å; K153-L254 HydrophobicContact CB-CB 4.03Å; K153-L254 HydrophobicContact CB-CD1 3.6Å; K153-L254 HydrophobicContact CB-CG 4.48Å; K153-L254 HydrophobicContact CG-CB 4.45Å; K153-M255 HydrophobicContact CD-CG 4.45Å
154	L	96.4	Very high	91.5	Very high	11 Å²	11	49.6 Å²	49.6	6%	0.058	24%	0.24	C	C	.	.			trans	-86.5	159.4	177.2	-57.5	-170.6	0	0	0	110.5	V87 L151 L250 L254 I279 I281	V87-L154 WeakPolarHBondContact CG2-O 3.49Å; L151-L154 HydrophobicContact CD2-CD1 4.33Å; L151-L154 PolarHBondContact O-N 3.08Å; L151-L154 VanDerWaalsContact O-N 3.16Å; L154-L250 HydrophobicContact CD2-CD2 4.44Å; L154-L254 HydrophobicContact CD2-CD1 3.75Å; L154-I279 HydrophobicContact CD1-CG2 4.18Å; L154-I279 HydrophobicContact CD2-CB 3.87Å; L154-I279 HydrophobicContact CD2-CG2 3.79Å; L154-I281 HydrophobicContact CD1-CD1 4.02Å; L154-I281 HydrophobicContact CD1-CG1 3.76Å
155	Q	94.5	Very high	90.6	Very high	122 Å²	122	53.5 Å²	53.5	57%	0.57	26%	0.259	S	S	*	.	S	Bend	trans	-110.5	-12.6	-178.8	-69.3	174.3	9.4	0	0	113.3	P276	Q155-P276 HydrophobicContact CG-CB 3.96Å; Q155-P276 PolarHBondContact N-O 3.27Å
156	S	94.2	Very high	89.9	Confident	16 Å²	16	52.8 Å²	52.8	11%	0.112	26%	0.257	C	S	.	.			trans	-152.6	150.5	174.5	172.6	0	0	0	0	110.5	D158 R280	S156-D158 WeakPolarHBondContact OG-CB 3.28Å; S156-D158 PolarHBondContact OG-N 3.01Å; S156-D158 VanDerWaalsContact OG-N 3.08Å; S156-D158 PolarHBondContact OG-OD2 2.9Å; S156-R280 VanDerWaalsContact CB-CZ 3.48Å; S156-R280 WeakPolarHBondContact O-CD 3.38Å; S156-R280 PolarHBondContact O-NE 3.49Å; S156-R280 PolarHBondContact O-NH1 3.12Å; S156-R280 PolarHBondContact OG-NH2 3.16Å
157	C	94.8	Very high	89.2	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.02	27%	0.266	C	S	.	.			trans	-123.8	13.2	169.5	61	0	0	0	0	111.7	V87 M89 H114 L117 C118 R280	V87-C157 HydrophobicContact CG1-CB 4.43Å; M89-C157 PolarHBondContact N-SG 3.41Å; H114-C157 PolarHBondContact CE1-O 3Å; H114-C157 PolarHBondContact NE2-O 3.48Å; L117-C157 VanDerWaalsContact O-CB 3.31Å; L117-C157 WeakPolarHBondContact O-CB 3.2Å; C118-C157 HydrophobicContact CB-CB 3.83Å; C118-C157 WeakPolarHBondContact CB-SG 3.19Å; C118-C157 WeakPolarHBondContact SG-CB 3.3Å; C118-C157 CovalentContact SG-SG 2.02Å; C118-C157 PolarHBondContact SG-SG 3.33Å; C157-R280 VanDerWaalsContact CA-CD 3.44Å
158	D	92.1	Very high	88.8	Confident	18 Å²	18	55.2 Å²	55.2	10%	0.096	28%	0.282	C	S	.	.			trans	-69.2	143.2	-176.1	-57	-49.6	0	0	0	111	K90 S156 R280	K90-D158 PolarHBondContact N-OD1 3.31Å; S156-D158 WeakPolarHBondContact OG-CB 3.28Å; S156-D158 PolarHBondContact OG-N 3.01Å; S156-D158 VanDerWaalsContact OG-N 3.08Å; S156-D158 PolarHBondContact OG-OD2 2.9Å; D158-R280 PolarHBondContact O-NE 3.47Å
159	L	89.8	Confident	88.5	Confident	13 Å²	13	52.3 Å²	52.3	7%	0.068	27%	0.272	C	S	.	.	S	Bend	trans	-75.9	-41.1	178.8	166.2	64.6	0	0	0	111.6	P115 F116 F216 I323	P115-L159 HydrophobicContact CG-CD1 4.03Å; F116-L159 HydrophobicContact CD2-CB 4.24Å; F116-L159 HydrophobicContact CD2-CD1 4.29Å; F116-L159 HydrophobicContact CE2-CB 4.21Å; F116-L159 HydrophobicContact CE2-CD1 3.54Å; F116-L159 HydrophobicContact CE2-CG 4.49Å; F116-L159 HydrophobicContact CZ-CD1 3.91Å; L159-F216 HydrophobicContact CD1-CE2 4.44Å; L159-F216 HydrophobicContact CD1-CZ 3.98Å; L159-F216 WeakPolarHBondContact O-CZ 3.26Å; L159-I323 HydrophobicContact CD1-CB 4.21Å; L159-I323 HydrophobicContact CD1-CD1 4.14Å; L159-I323 HydrophobicContact CD1-CG2 3.71Å; L159-I323 HydrophobicContact CD2-CB 4.08Å; L159-I323 HydrophobicContact CD2-CG2 3.71Å; L159-I323 HydrophobicContact CG-CG2 4.37Å
160	F	85.8	Confident	88.5	Confident	31 Å²	31	53.9 Å²	53.9	14%	0.136	28%	0.276	C	S	.	.	S	Bend	trans	-145.8	156.4	-176.3	-61.3	-60.7	0	0	0	107.1	R92 D164 K169 V194 F216 I323	R92-F160 PolarHBondContact NH2-O 3.37Å; F160-D164 HydrophobicContact CB-CB 3.91Å; F160-D164 WeakPolarHBondContact CB-OD2 3.42Å; F160-D164 WeakPolarHBondContact CD1-OD2 3.45Å; F160-D164 WeakPolarHBondContact CG-OD2 3.44Å; F160-K169 HydrophobicContact CD2-CD 4.31Å; F160-K169 HydrophobicContact CE1-CD 4.04Å; F160-K169 HydrophobicContact CE2-CD 3.59Å; F160-K169 HydrophobicContact CZ-CD 3.44Å; F160-K169 VanDerWaalsContact CZ-CD 3.44Å; F160-V194 HydrophobicContact CE1-CG2 3.74Å; F160-V194 HydrophobicContact CZ-CG2 4.02Å; F160-F216 HydrophobicContact CD1-CE2 4.37Å; F160-F216 AromaticContact CD1-CZ 3.98Å; F160-F216 HydrophobicContact CD1-CZ 3.98Å; F160-F216 AromaticContact CE1-CE2 3.63Å; F160-F216 HydrophobicContact CE1-CE2 3.63Å; F160-F216 AromaticContact CE1-CZ 3.68Å; F160-F216 HydrophobicContact CE1-CZ 3.68Å; F160-F216 HydrophobicContact CZ-CE2 4.28Å; F160-F216 HydrophobicContact CZ-CZ 4.49Å; F160-I323 HydrophobicContact CZ-CB 4.38Å; F160-I323 HydrophobicContact CZ-CD1 4.43Å
161	D	79.5	Confident	88.5	Confident	95 Å²	95	53.9 Å²	53.9	51%	0.508	28%	0.276	S	S	.	.			trans	-59.1	155.1	178.3	-175.8	-96.7	0	0	0	112.7	F163 D164	D161-F163 PolarHBondContact O-N 3.41Å; D161-F163 WeakPolarHBondContact OD1-CB 3.49Å; D161-F163 WeakPolarHBondContact OD1-CD2 3.14Å; D161-F163 PolarHBondContact OD1-N 2.98Å; D161-D164 VanDerWaalsContact O-CB 3.29Å; D161-D164 WeakPolarHBondContact O-CB 3.24Å; D161-D164 PolarHBondContact O-N 3.26Å; D161-D164 VanDerWaalsContact O-N 3.09Å
162	E	70.7	Confident	88.6	Confident	79 Å²	79	53.7 Å²	53.7	37%	0.369	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.6	-178	66.1	-165.1	-167.9	0	0	113.9	K90	K90-E162 WeakPolarHBondContact CD-OE2 3.17Å; K90-E162 IonicContact NZ-OE2 3.53Å; K90-E162 PolarHBondContact NZ-OE2 2.96Å
163	F	72.3	Confident	88.7	Confident	149 Å²	149	51 Å²	51	65%	0.654	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	0.3	176.5	-54.3	-66.6	0	0	0	113.6	D161 N165	D161-F163 PolarHBondContact O-N 3.41Å; D161-F163 WeakPolarHBondContact OD1-CB 3.49Å; D161-F163 WeakPolarHBondContact OD1-CD2 3.14Å; D161-F163 PolarHBondContact OD1-N 2.98Å; F163-N165 PolarHBondContact O-N 3.39Å; F163-N165 PolarHBondContact O-ND2 3.01Å
164	D	78.6	Confident	88.9	Confident	32 Å²	32	46.9 Å²	46.9	17%	0.171	24%	0.238	C	C	.	.			trans	-72.2	102.4	177.5	-173.7	1.2	0	0	0	110.9	I95 F160 D161 I166 K169	I95-D164 WeakPolarHBondContact CD1-O 3.46Å; F160-D164 HydrophobicContact CB-CB 3.91Å; F160-D164 WeakPolarHBondContact CB-OD2 3.42Å; F160-D164 WeakPolarHBondContact CD1-OD2 3.45Å; F160-D164 WeakPolarHBondContact CG-OD2 3.44Å; D161-D164 VanDerWaalsContact O-CB 3.29Å; D161-D164 WeakPolarHBondContact O-CB 3.24Å; D161-D164 PolarHBondContact O-N 3.26Å; D161-D164 VanDerWaalsContact O-N 3.09Å; D164-I166 PolarHBondContact OD1-N 3.02Å; D164-K169 IonicContact OD1-NZ 3.89Å; D164-K169 PolarHBondContact OD1-NZ 2.88Å; D164-K169 WeakPolarHBondContact OD2-CE 3.48Å; D164-K169 IonicContact OD2-NZ 3.33Å; D164-K169 PolarHBondContact OD2-NZ 3.15Å
165	N	78	Confident	88.9	Confident	97 Å²	97	46.4 Å²	46.4	52%	0.519	24%	0.237	S	C	.	.			trans	-109.4	12	-176.4	-67	-54.2	0	0	0	113.3	F163 P167	F163-N165 PolarHBondContact O-N 3.39Å; F163-N165 PolarHBondContact O-ND2 3.01Å; N165-P167 WeakPolarHBondContact O-CD 3.26Å
166	I	83.3	Confident	89.1	Confident	78 Å²	78	41.1 Å²	41.1	40%	0.4	21%	0.212	S	C	.	.			trans	-76.9	111.3	-176.3	-57.8	171.7	0	0	0	109.2	D164 K169	D164-I166 PolarHBondContact OD1-N 3.02Å; I166-K169 HydrophobicContact CB-CG 4.49Å; I166-K169 HydrophobicContact CG2-CG 4.26Å
167	P	83.4	Confident	89.2	Confident	73 Å²	73	40.3 Å²	40.3	47%	0.474	21%	0.207	S	C	.	.	S	Bend	trans	-73.5	160	170.9	34.5	-35.2	0	0	0	110	N165 K169	N165-P167 WeakPolarHBondContact O-CD 3.26Å; P167-K169 PolarHBondContact O-N 3.16Å
168	C	88.1	Confident	89.2	Confident	51 Å²	51	40.7 Å²	40.7	35%	0.345	21%	0.211	S	C	.	.	S	Bend	trans	54	44.4	169.9	-50.2	0	0	0	0	115.1	C98 K170 H325	C98-C168 WeakPolarHBondContact CA-SG 3.35Å; C98-C168 HydrophobicContact CB-CB 4.01Å; C98-C168 WeakPolarHBondContact CB-SG 3.4Å; C98-C168 WeakPolarHBondContact SG-CB 3.37Å; C98-C168 CovalentContact SG-SG 2.03Å; C98-C168 PolarHBondContact SG-SG 2.91Å; C168-K170 PolarHBondContact O-N 3.46Å; C168-H325 HydrophobicContact CB-CB 4.01Å
169	K	92.9	Very high	89.3	Confident	19 Å²	19	41.5 Å²	41.5	8%	0.083	22%	0.216	C	C	.	.			trans	-50.1	132.2	-174.8	-67.9	-178.2	175	-66.2	0	113.6	F160 D164 I166 P167 D193 V194 H325 E326	F160-K169 HydrophobicContact CD2-CD 4.31Å; F160-K169 HydrophobicContact CE1-CD 4.04Å; F160-K169 HydrophobicContact CE2-CD 3.59Å; F160-K169 HydrophobicContact CZ-CD 3.44Å; F160-K169 VanDerWaalsContact CZ-CD 3.44Å; D164-K169 IonicContact OD1-NZ 3.89Å; D164-K169 PolarHBondContact OD1-NZ 2.88Å; D164-K169 WeakPolarHBondContact OD2-CE 3.48Å; D164-K169 IonicContact OD2-NZ 3.33Å; D164-K169 PolarHBondContact OD2-NZ 3.15Å; I166-K169 HydrophobicContact CB-CG 4.49Å; I166-K169 HydrophobicContact CG2-CG 4.26Å; P167-K169 PolarHBondContact O-N 3.16Å; K169-D193 HydrophobicContact CB-CB 4.42Å; K169-V194 HydrophobicContact CD-CG2 3.94Å; K169-H325 PolarHBondContact O-N 3.03Å; K169-E326 PolarHBondContact O-N 3.42Å
170	K	96.8	Very high	89.7	Confident	96 Å²	96	40.9 Å²	40.9	42%	0.417	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.1	168.6	-57.5	-164.2	176.9	-145.3	0	109.5	C168 Y192 D193 V194 E326	C168-K170 PolarHBondContact O-N 3.46Å; K170-Y192 HydrophobicContact CB-CD1 3.98Å; K170-Y192 HydrophobicContact CB-CE1 4.44Å; K170-D193 PolarHBondContact N-OD2 2.97Å; K170-D193 WeakPolarHBondContact O-CB 3.41Å; K170-D193 PolarHBondContact O-N 3.03Å; K170-D193 VanDerWaalsContact O-N 3.11Å; K170-V194 PolarHBondContact O-N 2.77Å; K170-E326 WeakPolarHBondContact CE-OE2 3.38Å; K170-E326 HydrophobicContact CG-CB 4.13Å; K170-E326 IonicContact NZ-OE1 3.88Å; K170-E326 PolarHBondContact NZ-OE1 2.92Å; K170-E326 IonicContact NZ-OE2 2.63Å; K170-E326 PolarHBondContact NZ-OE2 3.5Å
171	C	98.3	Very high	90	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.9	-177.4	-60.6	0	0	0	0	111.1	V194 C324 E326 V327 H328	C171-V194 VanDerWaalsContact CA-O 3.29Å; C171-V194 WeakPolarHBondContact CA-O 3.44Å; C171-V194 HydrophobicContact CB-CB 4.27Å; C171-V194 VanDerWaalsContact SG-CB 3.53Å; C171-C324 HydrophobicContact CB-CB 3.67Å; C171-C324 WeakPolarHBondContact CB-SG 3.27Å; C171-C324 WeakPolarHBondContact SG-CB 3.49Å; C171-C324 CovalentContact SG-SG 1.98Å; C171-C324 PolarHBondContact SG-SG 3.4Å; C171-E326 PolarHBondContact N-O 2.82Å; C171-V327 HydrophobicContact CB-CG2 4.48Å; C171-V327 WeakPolarHBondContact O-CA 3.4Å; C171-H328 PolarHBondContact O-N 3.08Å
172	V	98.8	Very high	90.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.2	165.1	63.4	0	0	0	0	109.5	V174 I189 Y192 V194 I195 I196 H328 A330 L381	V172-V174 HydrophobicContact CG1-CG2 4.39Å; V172-V174 HydrophobicContact CG2-CG2 4.18Å; V172-I189 HydrophobicContact CG1-CG2 4.01Å; V172-I189 HydrophobicContact CG2-CG1 4.48Å; V172-Y192 HydrophobicContact CB-CD1 3.97Å; V172-Y192 HydrophobicContact CB-CD2 3.73Å; V172-Y192 HydrophobicContact CB-CE1 4.26Å; V172-Y192 HydrophobicContact CB-CE2 3.99Å; V172-Y192 HydrophobicContact CB-CG 3.73Å; V172-Y192 HydrophobicContact CG1-CD1 4.36Å; V172-Y192 HydrophobicContact CG1-CD2 3.59Å; V172-Y192 HydrophobicContact CG1-CE2 4.28Å; V172-Y192 HydrophobicContact CG1-CG 3.64Å; V172-Y192 HydrophobicContact CG2-CE2 4.44Å; V172-V194 PolarHBondContact N-O 3.16Å; V172-I195 HydrophobicContact CG1-CB 4.23Å; V172-I195 HydrophobicContact CG1-CG1 3.75Å; V172-I195 HydrophobicContact CG1-CG2 4.17Å; V172-I196 PolarHBondContact O-N 3.45Å; V172-H328 CarbonylContact C-O 3.43Å; V172-H328 WeakPolarHBondContact CA-O 3.37Å; V172-H328 HydrophobicContact CB-CB 4.34Å; V172-H328 HydrophobicContact CG2-CB 4.22Å; V172-A330 HydrophobicContact CG2-CB 4.41Å; V172-L381 HydrophobicContact CG2-CD1 3.87Å
173	V	98.9	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.9	169.9	-168.8	0	0	0	0	107.6	I196 M198 A316 I317 A320 V327 H328 L329 A330 F332	V173-I196 WeakPolarHBondContact CA-O 3.31Å; V173-I196 HydrophobicContact CG1-CB 4.44Å; V173-I196 HydrophobicContact CG2-CB 4.39Å; V173-I196 HydrophobicContact CG2-CD1 4.43Å; V173-M198 HydrophobicContact CG1-CE 3.81Å; V173-A316 HydrophobicContact CG1-CB 3.79Å; V173-I317 HydrophobicContact CB-CG1 4.36Å; V173-I317 HydrophobicContact CG1-CG1 4.19Å; V173-I317 HydrophobicContact CG2-CG1 4.33Å; V173-A320 HydrophobicContact CG2-CB 3.7Å; V173-V327 HydrophobicContact CG2-CG1 4.21Å; V173-H328 PolarHBondContact N-O 3.25Å; V173-L329 HydrophobicContact CB-CD2 4.02Å; V173-L329 HydrophobicContact CG2-CD2 4.26Å; V173-A330 PolarHBondContact O-N 3.06Å; V173-F332 HydrophobicContact CB-CE2 4.16Å; V173-F332 HydrophobicContact CB-CZ 4.33Å; V173-F332 HydrophobicContact CG1-CE2 3.91Å; V173-F332 HydrophobicContact CG1-CZ 3.65Å; V173-F332 WeakPolarHBondContact O-CE2 3.27Å
174	V	98.8	Very high	92.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.5	-179.2	-171.1	0	0	0	0	108.7	V172 L180 I189 I195 I196 R197 V210	V172-V174 HydrophobicContact CG1-CG2 4.39Å; V172-V174 HydrophobicContact CG2-CG2 4.18Å; V174-L180 HydrophobicContact CG1-CD1 3.99Å; V174-I189 HydrophobicContact CG2-CD1 4.18Å; V174-I189 HydrophobicContact CG2-CG1 4.42Å; V174-I189 HydrophobicContact CG2-CG2 3.89Å; V174-I195 HydrophobicContact CG2-CG2 4.19Å; V174-I196 PolarHBondContact N-O 3.03Å; V174-R197 HydrophobicContact CB-CG 4.37Å; V174-V210 HydrophobicContact CG1-CB 4.43Å
175	G	98.2	Very high	93.7	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.021	23%	0.226	C	C	.	.			trans	-72.5	170.6	170.6	0	0	0	0	0	111.9	L180 A330	G175-L180 WeakPolarHBondContact O-CD1 3.49Å; G175-A330 PolarHBondContact N-O 2.76Å
176	N	97.6	Very high	94.6	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.053	20%	0.202	C	C	.	.			trans	-94.7	5	-177	-69.9	-12.7	0	0	0	114	M198 H344 Y345 Y346	N176-M198 PolarHBondContact ND2-O 2.95Å; N176-H344 CarbonylContact O-C 3.58Å; N176-H344 WeakPolarHBondContact O-CA 3.48Å; N176-H344 WeakPolarHBondContact O-CB 3.39Å; N176-Y345 HydrophobicContact CB-CE1 4.33Å; N176-Y345 WeakPolarHBondContact O-CD1 3.36Å; N176-Y345 PolarHBondContact O-N 2.79Å; N176-Y345 VanDerWaalsContact O-N 3.16Å; N176-Y346 HydrophobicContact CB-CE1 4.06Å
177	G	96.1	Very high	95.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-60.6	144.6	-170	0	0	0	0	0	114.1	V179 L180 G331 L343	G177-V179 PolarHBondContact O-N 3.31Å; G177-L180 PolarHBondContact O-N 2.95Å; G177-G331 WeakPolarHBondContact CA-O 3.41Å; G177-G331 PolarHBondContact N-O 2.9Å; G177-L343 WeakPolarHBondContact CA-O 3.5Å
178	G	95.4	Very high	96	Very high	10 Å²	10	43.6 Å²	43.6	10%	0.103	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-59.6	-15.7	178.6	0	0	0	0	0	115.3	L180 K181 L343	G178-L180 PolarHBondContact O-N 3.42Å; G178-L180 VanDerWaalsContact O-N 3.15Å; G178-K181 WeakPolarHBondContact O-CB 3.3Å; G178-K181 WeakPolarHBondContact O-CG 3.32Å; G178-K181 PolarHBondContact O-N 3.24Å; G178-L343 PolarHBondContact N-O 3.46Å
179	V	95	Very high	96.5	Very high	35 Å²	35	41.1 Å²	41.1	21%	0.212	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.8	-16.9	175.8	71.6	0	0	0	0	113.6	G177 K181 K183 K333 T382	G177-V179 PolarHBondContact O-N 3.31Å; V179-K181 VanDerWaalsContact C-N 3.32Å; V179-K183 WeakPolarHBondContact O-CG 3.38Å; V179-K333 HydrophobicContact CB-CB 4.3Å; V179-K333 HydrophobicContact CG1-CB 4.06Å; V179-K333 HydrophobicContact CG2-CB 4.24Å; V179-K333 HydrophobicContact CG2-CD 4.33Å; V179-T382 HydrophobicContact CB-CG2 3.96Å; V179-T382 HydrophobicContact CG1-CG2 3.46Å; V179-T382 VanDerWaalsContact CG1-CG2 3.46Å; V179-T382 HydrophobicContact CG2-CG2 3.42Å; V179-T382 VanDerWaalsContact CG2-CG2 3.42Å
180	L	96.7	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-77.5	-14.8	173.4	-67.9	169.2	0	0	0	113.2	V174 G175 G177 G178 N182 K183 L185 E209 V210 A330 G331 Y345	V174-L180 HydrophobicContact CG1-CD1 3.99Å; G175-L180 WeakPolarHBondContact O-CD1 3.49Å; G177-L180 PolarHBondContact O-N 2.95Å; G178-L180 PolarHBondContact O-N 3.42Å; G178-L180 VanDerWaalsContact O-N 3.15Å; L180-N182 PolarHBondContact O-N 3.45Å; L180-K183 WeakPolarHBondContact O-CB 3.32Å; L180-K183 PolarHBondContact O-N 2.95Å; L180-K183 VanDerWaalsContact O-N 3.16Å; L180-L185 HydrophobicContact CD2-CD1 3.85Å; L180-E209 WeakPolarHBondContact O-CB 3.39Å; L180-E209 WeakPolarHBondContact O-CG 3.44Å; L180-V210 HydrophobicContact CB-CG1 4.45Å; L180-V210 HydrophobicContact CD1-CG1 3.99Å; L180-A330 HydrophobicContact CD2-CB 4.13Å; L180-G331 VanDerWaalsContact CG-CA 3.5Å; L180-Y345 HydrophobicContact CB-CD1 4.22Å; L180-Y345 HydrophobicContact CB-CG 4.29Å; L180-Y345 HydrophobicContact CD1-CD1 3.78Å; L180-Y345 HydrophobicContact CD1-CE1 4.16Å
181	K	93.1	Very high	96.9	Very high	67 Å²	67	40.7 Å²	40.7	29%	0.291	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	133.2	177.5	-70.4	-164.4	173.4	-177.3	0	110.2	G178 V179 K183 P342 H344 Y345 G347	G178-K181 WeakPolarHBondContact O-CB 3.3Å; G178-K181 WeakPolarHBondContact O-CG 3.32Å; G178-K181 PolarHBondContact O-N 3.24Å; V179-K181 VanDerWaalsContact C-N 3.32Å; K181-K183 PolarHBondContact O-N 3.46Å; K181-K183 VanDerWaalsContact O-N 3.13Å; K181-P342 HydrophobicContact CD-CB 4.13Å; K181-P342 HydrophobicContact CD-CG 4.11Å; K181-H344 WeakPolarHBondContact CE-O 3.43Å; K181-Y345 VanDerWaalsContact CE-C 3.46Å; K181-Y345 WeakPolarHBondContact CE-O 3.22Å; K181-G347 PolarHBondContact NZ-O 2.02Å
182	N	90.3	Very high	96.9	Very high	151 Å²	151	41.2 Å²	41.2	81%	0.807	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	15.5	178.2	-48	-25.8	0	0	0	114.5	L180	L180-N182 PolarHBondContact O-N 3.45Å
183	K	93.5	Very high	96.8	Very high	54 Å²	54	43.9 Å²	43.9	24%	0.235	23%	0.231	C	C	.	.			trans	-88	147.7	168	-65.3	-68.3	-174.4	174.1	0	108.2	V179 L180 K181 L185 E209 D384	V179-K183 WeakPolarHBondContact O-CG 3.38Å; L180-K183 WeakPolarHBondContact O-CB 3.32Å; L180-K183 PolarHBondContact O-N 2.95Å; L180-K183 VanDerWaalsContact O-N 3.16Å; K181-K183 PolarHBondContact O-N 3.46Å; K181-K183 VanDerWaalsContact O-N 3.13Å; K183-L185 HydrophobicContact CB-CD1 4.22Å; K183-L185 HydrophobicContact CB-CG 4.12Å; K183-E209 WeakPolarHBondContact O-CA 3.27Å; K183-E209 VanDerWaalsContact O-CG 3.28Å; K183-E209 WeakPolarHBondContact O-CG 3.28Å; K183-D384 IonicContact NZ-OD1 3.4Å; K183-D384 PolarHBondContact NZ-OD1 2.85Å
184	T	95.9	Very high	96.7	Very high	103 Å²	103	43.9 Å²	43.9	63%	0.632	23%	0.231	S	C	*	.			trans	-105.3	50.4	179.3	52.1	0	0	0	0	111.1	E208	T184-E208 CarbonylContact C-O 3.45Å; T184-E208 HydrophobicContact CG2-CG 4.07Å; T184-E208 WeakPolarHBondContact CG2-OE1 3.31Å
185	L	97.6	Very high	96.7	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.147	23%	0.231	C	C	.	.			trans	-87	-4.8	-173.7	-67.8	174.7	0	0	0	113.6	L180 K183 E187 K188 I189 E208 L381	L180-L185 HydrophobicContact CD2-CD1 3.85Å; K183-L185 HydrophobicContact CB-CD1 4.22Å; K183-L185 HydrophobicContact CB-CG 4.12Å; L185-E187 PolarHBondContact O-N 2.85Å; L185-K188 CarbonylContact O-C 3.59Å; L185-K188 WeakPolarHBondContact O-CB 3.22Å; L185-K188 PolarHBondContact O-N 2.85Å; L185-K188 VanDerWaalsContact O-N 3.12Å; L185-I189 HydrophobicContact CB-CD1 3.92Å; L185-I189 HydrophobicContact CB-CG1 4.35Å; L185-I189 WeakPolarHBondContact O-CG1 3.47Å; L185-I189 PolarHBondContact O-N 3.06Å; L185-E208 PolarHBondContact N-O 3.06Å; L185-L381 HydrophobicContact CD1-CB 4.36Å; L185-L381 HydrophobicContact CD2-CB 4.48Å
186	G	98.2	Very high	96.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-50	-168.6	0	0	0	0	0	114.5	K188 I189 D190 E207 E208 G211	G186-K188 VanDerWaalsContact C-N 3.31Å; G186-K188 PolarHBondContact O-N 2.85Å; G186-I189 PolarHBondContact O-N 2.96Å; G186-D190 PolarHBondContact O-N 3.3Å; G186-E207 WeakPolarHBondContact CA-O 3.2Å; G186-E208 WeakPolarHBondContact CA-O 3.45Å; G186-E208 PolarHBondContact N-O 3.47Å; G186-G211 VanDerWaalsContact CA-CA 3.47Å; G186-G211 WeakPolarHBondContact O-CA 3.07Å
187	E	98.2	Very high	96.8	Very high	177 Å²	177	43.4 Å²	43.4	83%	0.827	23%	0.228	S	C	*	.	H	α-helix	trans	-62.8	-39.3	176.4	-65.1	-172.1	165	0	0	111.9	L185 D190 S191	L185-E187 PolarHBondContact O-N 2.85Å; E187-D190 PolarHBondContact O-N 2.79Å; E187-S191 PolarHBondContact O-N 2.86Å; E187-S191 VanDerWaalsContact O-N 3.17Å
188	K	98.4	Very high	96.9	Very high	110 Å²	110	43.7 Å²	43.7	48%	0.478	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-42.8	177	-177.4	59.8	178.5	177.8	0	111.2	L185 G186 S191 Y192	L185-K188 CarbonylContact O-C 3.59Å; L185-K188 WeakPolarHBondContact O-CB 3.22Å; L185-K188 PolarHBondContact O-N 2.85Å; L185-K188 VanDerWaalsContact O-N 3.12Å; G186-K188 VanDerWaalsContact C-N 3.31Å; G186-K188 PolarHBondContact O-N 2.85Å; K188-S191 WeakPolarHBondContact O-CB 3.48Å; K188-S191 PolarHBondContact O-N 2.96Å; K188-S191 PolarHBondContact O-OG 3.33Å; K188-Y192 HydrophobicContact CG-CE2 4.49Å; K188-Y192 VanDerWaalsContact O-CD2 3.23Å; K188-Y192 WeakPolarHBondContact O-CD2 3.25Å; K188-Y192 WeakPolarHBondContact O-CE2 3.49Å
189	I	98.7	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-42.5	176	-72.2	165	0	0	0	110.6	V172 V174 L185 G186 S191 Y192 I195 V210 A330	V172-I189 HydrophobicContact CG1-CG2 4.01Å; V172-I189 HydrophobicContact CG2-CG1 4.48Å; V174-I189 HydrophobicContact CG2-CD1 4.18Å; V174-I189 HydrophobicContact CG2-CG1 4.42Å; V174-I189 HydrophobicContact CG2-CG2 3.89Å; L185-I189 HydrophobicContact CB-CD1 3.92Å; L185-I189 HydrophobicContact CB-CG1 4.35Å; L185-I189 WeakPolarHBondContact O-CG1 3.47Å; L185-I189 PolarHBondContact O-N 3.06Å; G186-I189 PolarHBondContact O-N 2.96Å; I189-S191 PolarHBondContact O-N 3.49Å; I189-S191 VanDerWaalsContact O-N 3.17Å; I189-Y192 WeakPolarHBondContact O-CD2 3.45Å; I189-Y192 PolarHBondContact O-N 3.05Å; I189-I195 HydrophobicContact CG2-CD1 4.31Å; I189-I195 HydrophobicContact CG2-CG1 4.37Å; I189-I195 HydrophobicContact CG2-CG2 4.01Å; I189-I195 VanDerWaalsContact O-CD1 3.3Å; I189-I195 WeakPolarHBondContact O-CD1 3Å; I189-I195 WeakPolarHBondContact O-CG1 3.02Å; I189-V210 WeakPolarHBondContact CG2-O 3.44Å; I189-A330 HydrophobicContact CD1-CB 4.32Å
190	D	98.6	Very high	97	Very high	33 Å²	33	44.7 Å²	44.7	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-9.2	179.4	-76.5	-13.7	0	0	0	113.3	G186 E187 R212 R213	G186-D190 PolarHBondContact O-N 3.3Å; E187-D190 PolarHBondContact O-N 2.79Å; D190-R212 VanDerWaalsContact CG-N 3.27Å; D190-R212 PolarHBondContact OD1-N 3.37Å; D190-R212 WeakPolarHBondContact OD2-CB 3.48Å; D190-R212 PolarHBondContact OD2-N 3.34Å; D190-R213 PolarHBondContact O-NH1 3.34Å; D190-R213 WeakPolarHBondContact OD1-CB 3.34Å; D190-R213 PolarHBondContact OD1-N 3.02Å
191	S	98	Very high	97	Very high	73 Å²	73	44.7 Å²	44.7	51%	0.51	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10	175.2	77.6	0	0	0	0	114.8	E187 K188 I189	E187-S191 PolarHBondContact O-N 2.86Å; E187-S191 VanDerWaalsContact O-N 3.17Å; K188-S191 WeakPolarHBondContact O-CB 3.48Å; K188-S191 PolarHBondContact O-N 2.96Å; K188-S191 PolarHBondContact O-OG 3.33Å; I189-S191 PolarHBondContact O-N 3.49Å; I189-S191 VanDerWaalsContact O-N 3.17Å
192	Y	98.2	Very high	97.2	Very high	11 Å²	11	42.2 Å²	42.2	4%	0.043	22%	0.222	C	C	.	.	S	Bend	trans	-81.1	154.8	-178.3	-71.7	-96	0	0	0	112.8	K170 V172 K188 I189 R213 H328 L381	K170-Y192 HydrophobicContact CB-CD1 3.98Å; K170-Y192 HydrophobicContact CB-CE1 4.44Å; V172-Y192 HydrophobicContact CB-CD1 3.97Å; V172-Y192 HydrophobicContact CB-CD2 3.73Å; V172-Y192 HydrophobicContact CB-CE1 4.26Å; V172-Y192 HydrophobicContact CB-CE2 3.99Å; V172-Y192 HydrophobicContact CB-CG 3.73Å; V172-Y192 HydrophobicContact CG1-CD1 4.36Å; V172-Y192 HydrophobicContact CG1-CD2 3.59Å; V172-Y192 HydrophobicContact CG1-CE2 4.28Å; V172-Y192 HydrophobicContact CG1-CG 3.64Å; V172-Y192 HydrophobicContact CG2-CE2 4.44Å; K188-Y192 HydrophobicContact CG-CE2 4.49Å; K188-Y192 VanDerWaalsContact O-CD2 3.23Å; K188-Y192 WeakPolarHBondContact O-CD2 3.25Å; K188-Y192 WeakPolarHBondContact O-CE2 3.49Å; I189-Y192 WeakPolarHBondContact O-CD2 3.45Å; I189-Y192 PolarHBondContact O-N 3.05Å; Y192-R213 PolarHBondContact O-NH1 3.46Å; Y192-H328 HydrophobicContact CE1-CB 3.85Å; Y192-H328 AromaticContact CE1-CD2 3.56Å; Y192-H328 AromaticContact CE1-CG 3.58Å; Y192-H328 AromaticContact CE1-NE2 3.96Å; Y192-H328 AromaticContact CZ-CG 3.67Å; Y192-H328 AromaticContact CZ-ND1 3.75Å; Y192-H328 PolarHBondContact OH-CE1 2.89Å; Y192-H328 PolarHBondContact OH-ND1 3.27Å; Y192-L381 HydrophobicContact CE2-CD1 4.01Å
193	D	97.1	Very high	97.6	Very high	55 Å²	55	36.2 Å²	36.2	29%	0.294	19%	0.19	S	C	.	.	S	Bend	trans	-67.6	-40.8	176.3	-56.3	-51.9	0	0	0	110.9	K169 K170	K169-D193 HydrophobicContact CB-CB 4.42Å; K170-D193 PolarHBondContact N-OD2 2.97Å; K170-D193 WeakPolarHBondContact O-CB 3.41Å; K170-D193 PolarHBondContact O-N 3.03Å; K170-D193 VanDerWaalsContact O-N 3.11Å
194	V	98.2	Very high	97.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.2	-177.6	-179.3	0	0	0	0	110.1	F160 K169 K170 C171 V172 I196 T215 F216	F160-V194 HydrophobicContact CE1-CG2 3.74Å; F160-V194 HydrophobicContact CZ-CG2 4.02Å; K169-V194 HydrophobicContact CD-CG2 3.94Å; K170-V194 PolarHBondContact O-N 2.77Å; C171-V194 VanDerWaalsContact CA-O 3.29Å; C171-V194 WeakPolarHBondContact CA-O 3.44Å; C171-V194 HydrophobicContact CB-CB 4.27Å; C171-V194 VanDerWaalsContact SG-CB 3.53Å; V172-V194 PolarHBondContact N-O 3.16Å; V194-I196 HydrophobicContact CG1-CD1 4.4Å; V194-I196 HydrophobicContact CG1-CG1 3.89Å; V194-T215 WeakPolarHBondContact CA-OG1 3.49Å; V194-T215 HydrophobicContact CG1-CG2 4.06Å; V194-F216 HydrophobicContact CG1-CD2 3.56Å; V194-F216 HydrophobicContact CG1-CE2 3.64Å
195	I	98.8	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.9	177.5	-59.8	159.7	0	0	0	108.4	V172 V174 I189 R197 R213 T215 F216	V172-I195 HydrophobicContact CG1-CB 4.23Å; V172-I195 HydrophobicContact CG1-CG1 3.75Å; V172-I195 HydrophobicContact CG1-CG2 4.17Å; V174-I195 HydrophobicContact CG2-CG2 4.19Å; I189-I195 HydrophobicContact CG2-CD1 4.31Å; I189-I195 HydrophobicContact CG2-CG1 4.37Å; I189-I195 HydrophobicContact CG2-CG2 4.01Å; I189-I195 VanDerWaalsContact O-CD1 3.3Å; I189-I195 WeakPolarHBondContact O-CD1 3Å; I189-I195 WeakPolarHBondContact O-CG1 3.02Å; I195-R197 HydrophobicContact CG2-CG 4.21Å; I195-R213 HydrophobicContact CD1-CB 3.52Å; I195-T215 PolarHBondContact N-OG1 3.29Å; I195-T215 PolarHBondContact O-N 2.7Å; I195-F216 PolarHBondContact O-N 3.38Å
196	I	98.9	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.6	-178.7	-49.7	-176.2	0	0	0	109.1	V172 V173 V174 V194 F216 L218 A316 A320 I323	V172-I196 PolarHBondContact O-N 3.45Å; V173-I196 WeakPolarHBondContact CA-O 3.31Å; V173-I196 HydrophobicContact CG1-CB 4.44Å; V173-I196 HydrophobicContact CG2-CB 4.39Å; V173-I196 HydrophobicContact CG2-CD1 4.43Å; V174-I196 PolarHBondContact N-O 3.03Å; V194-I196 HydrophobicContact CG1-CD1 4.4Å; V194-I196 HydrophobicContact CG1-CG1 3.89Å; I196-F216 CarbonylContact C-O 3.56Å; I196-F216 WeakPolarHBondContact CA-O 3.39Å; I196-F216 HydrophobicContact CG1-CB 4.37Å; I196-F216 HydrophobicContact CG1-CD2 4.21Å; I196-F216 HydrophobicContact CG2-CB 4.31Å; I196-L218 HydrophobicContact CG2-CD1 3.54Å; I196-A316 HydrophobicContact CG2-CB 3.98Å; I196-A320 HydrophobicContact CD1-CB 3.82Å; I196-I323 HydrophobicContact CD1-CD1 4.12Å
197	R	98.8	Very high	97.8	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	175.5	174.2	-57.7	-171.6	-168.9	-89.3	-2.3	110.5	V174 I195 V210 G211 R213 T214 F216 R217 L218	V174-R197 HydrophobicContact CB-CG 4.37Å; I195-R197 HydrophobicContact CG2-CG 4.21Å; R197-V210 PolarHBondContact NH1-O 3.03Å; R197-V210 PolarHBondContact NH2-O 3.2Å; R197-G211 PolarHBondContact NH2-O 2.96Å; R197-R213 PolarHBondContact NE-O 3.22Å; R197-R213 VanDerWaalsContact NE-O 3.14Å; R197-R213 PolarHBondContact NH2-O 3.4Å; R197-T214 HydrophobicContact CB-CG2 4.16Å; R197-T214 WeakPolarHBondContact CD-OG1 3.39Å; R197-T214 HydrophobicContact CG-CG2 4.01Å; R197-T214 PolarHBondContact NE-OG1 2.87Å; R197-F216 PolarHBondContact N-O 2.85Å; R197-R217 WeakPolarHBondContact O-CA 3.17Å; R197-L218 PolarHBondContact O-N 3.49Å
198	M	98.3	Very high	97.8	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.6	-179.2	62.1	-159.3	72.7	0	0	112.9	V173 N176 G201 L218 T312 G313 A316 F332	V173-M198 HydrophobicContact CG1-CE 3.81Å; N176-M198 PolarHBondContact ND2-O 2.95Å; M198-G201 PolarHBondContact O-N 2.83Å; M198-L218 CarbonylContact C-O 3.17Å; M198-L218 VanDerWaalsContact CA-O 3.31Å; M198-L218 WeakPolarHBondContact CA-O 3.43Å; M198-L218 HydrophobicContact CB-CB 4.35Å; M198-T312 HydrophobicContact CB-CG2 3.78Å; M198-G313 WeakPolarHBondContact SD-CA 3.39Å; M198-G313 PolarHBondContact SD-N 3.22Å; M198-A316 HydrophobicContact CE-CB 3.63Å; M198-F332 HydrophobicContact CE-CZ 4.07Å
199	N	97.6	Very high	97.8	Very high	29 Å²	29	32.5 Å²	32.5	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-151.8	171.3	-57.7	-20.1	0	0	0	111.1	G201 R217 L218 Y220 S223 T312	N199-G201 VanDerWaalsContact C-N 3.28Å; N199-G201 PolarHBondContact O-N 2.88Å; N199-R217 PolarHBondContact O-NH1 3.46Å; N199-L218 PolarHBondContact N-O 3.13Å; N199-Y220 WeakPolarHBondContact OD1-CE1 3.38Å; N199-S223 VanDerWaalsContact CB-OG 3.26Å; N199-S223 WeakPolarHBondContact CB-OG 3.47Å; N199-T312 PolarHBondContact OD1-OG1 2.98Å
200	N	94.8	Very high	97.7	Very high	36 Å²	36	32.5 Å²	32.5	19%	0.193	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	34.7	175.6	-62.7	90.1	0	0	0	113.4	P202 S223 V224 F225 Y346	N200-P202 VanDerWaalsContact O-CD 3.22Å; N200-P202 WeakPolarHBondContact O-CD 3.32Å; N200-S223 WeakPolarHBondContact OD1-CA 3.24Å; N200-S223 PolarHBondContact OD1-OG 3.42Å; N200-V224 PolarHBondContact ND2-O 3.05Å; N200-V224 PolarHBondContact OD1-N 3.43Å; N200-V224 VanDerWaalsContact OD1-N 3.16Å; N200-F225 HydrophobicContact CB-CD1 4.32Å; N200-F225 HydrophobicContact CB-CE1 3.86Å; N200-F225 HydrophobicContact CB-CZ 4.11Å; N200-F225 WeakPolarHBondContact ND2-CD1 3.33Å; N200-F225 PolarHBondContact ND2-N 2.85Å; N200-F225 VanDerWaalsContact O-CZ 3.29Å; N200-F225 WeakPolarHBondContact O-CZ 3.11Å; N200-Y346 PolarHBondContact O-OH 2.82Å
201	G	96.9	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.			trans	-71.2	109.4	173.3	0	0	0	0	0	110.8	M198 N199 R217 Y345	M198-G201 PolarHBondContact O-N 2.83Å; N199-G201 VanDerWaalsContact C-N 3.28Å; N199-G201 PolarHBondContact O-N 2.88Å; G201-R217 VanDerWaalsContact O-CZ 3.27Å; G201-R217 PolarHBondContact O-NH1 3.24Å; G201-R217 PolarHBondContact O-NH2 2.94Å; G201-Y345 VanDerWaalsContact CA-OH 3.24Å; G201-Y345 WeakPolarHBondContact CA-OH 3.33Å
202	P	97.2	Very high	97.7	Very high	16 Å²	16	35.5 Å²	35.5	10%	0.104	18%	0.183	C	C	.	.			trans	-75	145.5	-175.7	32.1	-32.3	0	0	0	111.2	N200 F225 Y345 Y346	N200-P202 VanDerWaalsContact O-CD 3.22Å; N200-P202 WeakPolarHBondContact O-CD 3.32Å; P202-F225 HydrophobicContact CB-CZ 4.25Å; P202-Y345 HydrophobicContact CG-CE2 4.29Å; P202-Y345 WeakPolarHBondContact O-CE2 3.14Å; P202-Y345 PolarHBondContact O-OH 2.78Å; P202-Y345 VanDerWaalsContact O-OH 3.06Å; P202-Y346 HydrophobicContact CG-CD1 4.09Å; P202-Y346 HydrophobicContact CG-CD2 4Å; P202-Y346 HydrophobicContact CG-CG 3.66Å
203	V	97.7	Very high	97.7	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.145	20%	0.203	C	C	.	.			trans	-95.8	-42.7	168.4	159.6	0	0	0	0	110.3	G205 H206 E207 V210 G211	V203-G205 PolarHBondContact O-N 3Å; V203-H206 CarbonylContact O-C 3.44Å; V203-H206 WeakPolarHBondContact O-CA 3.14Å; V203-H206 PolarHBondContact O-N 3.02Å; V203-E207 HydrophobicContact CG1-CG 4.13Å; V203-E207 PolarHBondContact O-N 3.44Å; V203-V210 HydrophobicContact CG2-CG2 4.26Å; V203-G211 WeakPolarHBondContact CG1-O 3.38Å
204	L	96.9	Very high	97.7	Very high	88 Å²	88	38.7 Å²	38.7	46%	0.461	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	125.7	178.7	-175.2	69.9	0	0	0	111.1	H206 I229	L204-H206 VanDerWaalsContact C-N 3.28Å; L204-I229 HydrophobicContact CD2-CD1 3.49Å; L204-I229 VanDerWaalsContact CD2-CD1 3.49Å; L204-I229 HydrophobicContact CD2-CG1 3.75Å
205	G	96.9	Very high	97.8	Very high	58 Å²	58	40.1 Å²	40.1	60%	0.598	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	6	-176.8	0	0	0	0	0	114.6	V203 E207	V203-G205 PolarHBondContact O-N 3Å; G205-E207 VanDerWaalsContact CA-OE2 3.29Å; G205-E207 WeakPolarHBondContact CA-OE2 3.44Å; G205-E207 PolarHBondContact N-OE1 3.11Å; G205-E207 PolarHBondContact N-OE2 3.44Å
206	H	98	Very high	97.7	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.181	20%	0.201	C	C	.	.			trans	-137.5	20.3	179.4	-66	-71.4	0	0	0	112.2	V203 L204 E208 E209 V210 Y345 Y346	V203-H206 CarbonylContact O-C 3.44Å; V203-H206 WeakPolarHBondContact O-CA 3.14Å; V203-H206 PolarHBondContact O-N 3.02Å; L204-H206 VanDerWaalsContact C-N 3.28Å; H206-E208 PolarHBondContact O-N 2.95Å; H206-E209 WeakPolarHBondContact CA-OE2 3.38Å; H206-E209 PolarHBondContact O-N 3.47Å; H206-E209 VanDerWaalsContact O-N 3.16Å; H206-V210 HydrophobicContact CB-CG2 4.05Å; H206-V210 VanDerWaalsContact O-CG2 3.28Å; H206-V210 WeakPolarHBondContact O-CG2 3.43Å; H206-V210 PolarHBondContact O-N 2.84Å; H206-Y345 HydrophobicContact CB-CD2 4.32Å; H206-Y345 HydrophobicContact CB-CE2 4.17Å; H206-Y345 AromaticContact CG-CD2 3.97Å; H206-Y346 WeakPolarHBondContact NE2-CB 3.41Å
207	E	98.1	Very high	97.7	Very high	43 Å²	43	40.8 Å²	40.8	20%	0.201	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-30.1	-171.6	-63.7	92.2	151.6	0	0	112.6	G186 V203 G205 G211 R212	G186-E207 WeakPolarHBondContact CA-O 3.2Å; V203-E207 HydrophobicContact CG1-CG 4.13Å; V203-E207 PolarHBondContact O-N 3.44Å; G205-E207 VanDerWaalsContact CA-OE2 3.29Å; G205-E207 WeakPolarHBondContact CA-OE2 3.44Å; G205-E207 PolarHBondContact N-OE1 3.11Å; G205-E207 PolarHBondContact N-OE2 3.44Å; E207-G211 WeakPolarHBondContact O-CA 3.2Å; E207-G211 PolarHBondContact O-N 3.08Å; E207-R212 HydrophobicContact CB-CG 3.89Å; E207-R212 HydrophobicContact CG-CG 3.81Å; E207-R212 IonicContact OE1-NH1 2.7Å
208	E	97.9	Very high	97.7	Very high	135 Å²	135	40.7 Å²	40.7	63%	0.631	20%	0.203	S	C	*	.	H	α-helix	trans	-67.8	-38.3	176.2	-172.4	176.1	-178	0	0	111.5	T184 L185 G186 H206	T184-E208 CarbonylContact C-O 3.45Å; T184-E208 HydrophobicContact CG2-CG 4.07Å; T184-E208 WeakPolarHBondContact CG2-OE1 3.31Å; L185-E208 PolarHBondContact N-O 3.06Å; G186-E208 WeakPolarHBondContact CA-O 3.45Å; G186-E208 PolarHBondContact N-O 3.47Å; H206-E208 PolarHBondContact O-N 2.95Å
209	E	97.2	Very high	97.7	Very high	33 Å²	33	40.5 Å²	40.5	15%	0.154	20%	0.202	C	C	.	.	H	α-helix	trans	-83.5	-39.5	-179.3	-56.4	94.9	144.3	0	0	113.4	L180 K183 H206	L180-E209 WeakPolarHBondContact O-CB 3.39Å; L180-E209 WeakPolarHBondContact O-CG 3.44Å; K183-E209 WeakPolarHBondContact O-CA 3.27Å; K183-E209 VanDerWaalsContact O-CG 3.28Å; K183-E209 WeakPolarHBondContact O-CG 3.28Å; H206-E209 WeakPolarHBondContact CA-OE2 3.38Å; H206-E209 PolarHBondContact O-N 3.47Å; H206-E209 VanDerWaalsContact O-N 3.16Å
210	V	98.2	Very high	97.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-120.7	-4.1	-167.9	-49.3	0	0	0	0	114.5	V174 L180 I189 R197 V203 H206 Y345	V174-V210 HydrophobicContact CG1-CB 4.43Å; L180-V210 HydrophobicContact CB-CG1 4.45Å; L180-V210 HydrophobicContact CD1-CG1 3.99Å; I189-V210 WeakPolarHBondContact CG2-O 3.44Å; R197-V210 PolarHBondContact NH1-O 3.03Å; R197-V210 PolarHBondContact NH2-O 3.2Å; V203-V210 HydrophobicContact CG2-CG2 4.26Å; H206-V210 HydrophobicContact CB-CG2 4.05Å; H206-V210 VanDerWaalsContact O-CG2 3.28Å; H206-V210 WeakPolarHBondContact O-CG2 3.43Å; H206-V210 PolarHBondContact O-N 2.84Å; V210-Y345 HydrophobicContact CG1-CD1 4.18Å; V210-Y345 HydrophobicContact CG1-CD2 4.07Å; V210-Y345 HydrophobicContact CG1-CE1 3.98Å; V210-Y345 HydrophobicContact CG1-CE2 3.92Å; V210-Y345 HydrophobicContact CG1-CG 4.22Å; V210-Y345 HydrophobicContact CG2-CE2 4.37Å
211	G	98.2	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.			trans	79.3	171.7	-180	0	0	0	0	0	112.5	G186 R197 V203 E207	G186-G211 VanDerWaalsContact CA-CA 3.47Å; G186-G211 WeakPolarHBondContact O-CA 3.07Å; R197-G211 PolarHBondContact NH2-O 2.96Å; V203-G211 WeakPolarHBondContact CG1-O 3.38Å; E207-G211 WeakPolarHBondContact O-CA 3.2Å; E207-G211 PolarHBondContact O-N 3.08Å
212	R	98	Very high	97.8	Very high	169 Å²	169	39.1 Å²	39.1	64%	0.638	19%	0.193	S	C	*	.	S	Bend	trans	-98.8	-29.9	-172.8	-59.1	-174.5	179	-88.9	-3.8	113.3	D190 E207	D190-R212 VanDerWaalsContact CG-N 3.27Å; D190-R212 PolarHBondContact OD1-N 3.37Å; D190-R212 WeakPolarHBondContact OD2-CB 3.48Å; D190-R212 PolarHBondContact OD2-N 3.34Å; E207-R212 HydrophobicContact CB-CG 3.89Å; E207-R212 HydrophobicContact CG-CG 3.81Å; E207-R212 IonicContact OE1-NH1 2.7Å
213	R	97.8	Very high	97.7	Very high	120 Å²	120	39 Å²	39	45%	0.453	19%	0.192	S	C	.	.			trans	-87.9	148.5	-170	-67.2	171.6	61.3	-156.5	-4.8	111.6	D190 Y192 I195 R197	D190-R213 PolarHBondContact O-NH1 3.34Å; D190-R213 WeakPolarHBondContact OD1-CB 3.34Å; D190-R213 PolarHBondContact OD1-N 3.02Å; Y192-R213 PolarHBondContact O-NH1 3.46Å; I195-R213 HydrophobicContact CD1-CB 3.52Å; R197-R213 PolarHBondContact NE-O 3.22Å; R197-R213 VanDerWaalsContact NE-O 3.14Å; R197-R213 PolarHBondContact NH2-O 3.4Å
214	T	98.4	Very high	97.7	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.074	19%	0.189	C	C	.	.			trans	-141	124.4	169.8	-55.5	0	0	0	0	108.7	R197 F216 R217 T235	R197-T214 HydrophobicContact CB-CG2 4.16Å; R197-T214 WeakPolarHBondContact CD-OG1 3.39Å; R197-T214 HydrophobicContact CG-CG2 4.01Å; R197-T214 PolarHBondContact NE-OG1 2.87Å; T214-F216 WeakPolarHBondContact CG2-O 3.34Å; T214-R217 HydrophobicContact CG2-CB 4.15Å; T214-T235 VanDerWaalsContact CB-OG1 3.3Å; T214-T235 WeakPolarHBondContact CB-OG1 3.23Å; T214-T235 HydrophobicContact CG2-CG2 3.89Å; T214-T235 PolarHBondContact O-OG1 2.73Å
215	T	98.3	Very high	97.6	Very high	31 Å²	31	35.1 Å²	35.1	19%	0.19	17%	0.17	C	C	.	.	S	Bend	trans	-91	-52.5	173.8	-48.4	0	0	0	0	109.7	V194 I195 T236	V194-T215 WeakPolarHBondContact CA-OG1 3.49Å; V194-T215 HydrophobicContact CG1-CG2 4.06Å; I195-T215 PolarHBondContact N-OG1 3.29Å; I195-T215 PolarHBondContact O-N 2.7Å; T215-T236 PolarHBondContact O-N 2.98Å
216	F	98.7	Very high	97.4	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.3	178.5	-63	-60.8	0	0	0	111.2	F116 L159 F160 V194 I195 I196 R197 T214 T236 I238 I323	F116-F216 HydrophobicContact CE2-CE1 4.15Å; F116-F216 HydrophobicContact CZ-CD1 4.43Å; F116-F216 HydrophobicContact CZ-CE1 4.19Å; L159-F216 HydrophobicContact CD1-CE2 4.44Å; L159-F216 HydrophobicContact CD1-CZ 3.98Å; L159-F216 WeakPolarHBondContact O-CZ 3.26Å; F160-F216 HydrophobicContact CD1-CE2 4.37Å; F160-F216 AromaticContact CD1-CZ 3.98Å; F160-F216 HydrophobicContact CD1-CZ 3.98Å; F160-F216 AromaticContact CE1-CE2 3.63Å; F160-F216 HydrophobicContact CE1-CE2 3.63Å; F160-F216 AromaticContact CE1-CZ 3.68Å; F160-F216 HydrophobicContact CE1-CZ 3.68Å; F160-F216 HydrophobicContact CZ-CE2 4.28Å; F160-F216 HydrophobicContact CZ-CZ 4.49Å; V194-F216 HydrophobicContact CG1-CD2 3.56Å; V194-F216 HydrophobicContact CG1-CE2 3.64Å; I195-F216 PolarHBondContact O-N 3.38Å; I196-F216 CarbonylContact C-O 3.56Å; I196-F216 WeakPolarHBondContact CA-O 3.39Å; I196-F216 HydrophobicContact CG1-CB 4.37Å; I196-F216 HydrophobicContact CG1-CD2 4.21Å; I196-F216 HydrophobicContact CG2-CB 4.31Å; R197-F216 PolarHBondContact N-O 2.85Å; T214-F216 WeakPolarHBondContact CG2-O 3.34Å; F216-T236 CarbonylContact C-O 3.52Å; F216-T236 VanDerWaalsContact CA-O 3.24Å; F216-T236 WeakPolarHBondContact CA-O 3.28Å; F216-T236 HydrophobicContact CD1-CG2 3.85Å; F216-T236 HydrophobicContact CE1-CG2 3.88Å; F216-I238 HydrophobicContact CB-CD1 3.74Å; F216-I238 HydrophobicContact CD1-CD1 3.76Å; F216-I238 HydrophobicContact CD1-CG1 4.28Å; F216-I238 HydrophobicContact CG-CD1 3.86Å; F216-I323 HydrophobicContact CD2-CD1 4.01Å; F216-I323 HydrophobicContact CE2-CD1 3.68Å
217	R	98.6	Very high	97.2	Very high	13 Å²	13	37 Å²	37	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.5	168.6	-178.1	175.8	-74.4	-98	4.4	111.2	R197 N199 G201 T214 T235 T236 V237 I238	R197-R217 WeakPolarHBondContact O-CA 3.17Å; N199-R217 PolarHBondContact O-NH1 3.46Å; G201-R217 VanDerWaalsContact O-CZ 3.27Å; G201-R217 PolarHBondContact O-NH1 3.24Å; G201-R217 PolarHBondContact O-NH2 2.94Å; T214-R217 HydrophobicContact CG2-CB 4.15Å; R217-T235 HydrophobicContact CB-CG2 4.01Å; R217-T236 PolarHBondContact N-O 3.4Å; R217-V237 HydrophobicContact CB-CG1 4.33Å; R217-V237 CarbonylContact O-C 3.14Å; R217-V237 WeakPolarHBondContact O-CA 3.39Å; R217-I238 PolarHBondContact O-N 3.09Å
218	L	98.8	Very high	97.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.4	173.9	-74.9	75.4	0	0	0	109.8	I196 R197 M198 N199 I238 T312 I315 A316 L319	I196-L218 HydrophobicContact CG2-CD1 3.54Å; R197-L218 PolarHBondContact O-N 3.49Å; M198-L218 CarbonylContact C-O 3.17Å; M198-L218 VanDerWaalsContact CA-O 3.31Å; M198-L218 WeakPolarHBondContact CA-O 3.43Å; M198-L218 HydrophobicContact CB-CB 4.35Å; N199-L218 PolarHBondContact N-O 3.13Å; L218-I238 WeakPolarHBondContact CA-O 3.47Å; L218-I238 HydrophobicContact CD1-CD1 4.09Å; L218-I238 HydrophobicContact CG-CB 4.22Å; L218-I238 HydrophobicContact CG-CG2 4.39Å; L218-T312 HydrophobicContact CB-CG2 3.67Å; L218-T312 HydrophobicContact CD2-CG2 4.15Å; L218-I315 HydrophobicContact CD2-CB 4.4Å; L218-I315 HydrophobicContact CD2-CG2 3.81Å; L218-A316 HydrophobicContact CD1-CB 4.07Å; L218-A316 HydrophobicContact CD2-CB 4.01Å; L218-L319 HydrophobicContact CD1-CD2 3.95Å
219	F	98.3	Very high	96.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	167.8	178.3	78.4	-82.4	0	0	0	111.9	V224 V237 I238 L239 T240 W249 L272	F219-V224 HydrophobicContact CB-CB 3.99Å; F219-V224 HydrophobicContact CB-CG2 3.96Å; F219-V224 HydrophobicContact CD2-CB 3.63Å; F219-V224 HydrophobicContact CD2-CG1 4.31Å; F219-V224 HydrophobicContact CD2-CG2 3.49Å; F219-V224 VanDerWaalsContact CD2-CG2 3.49Å; F219-V224 HydrophobicContact CE2-CB 4.47Å; F219-V224 HydrophobicContact CE2-CG2 4.1Å; F219-V224 HydrophobicContact CG-CB 4.11Å; F219-V224 HydrophobicContact CG-CG2 3.78Å; F219-V237 HydrophobicContact CD1-CB 3.75Å; F219-V237 HydrophobicContact CD1-CG2 4.3Å; F219-V237 HydrophobicContact CE1-CB 3.58Å; F219-V237 HydrophobicContact CE1-CG2 3.63Å; F219-V237 HydrophobicContact CZ-CG2 4.35Å; F219-I238 WeakPolarHBondContact CD1-O 3.49Å; F219-I238 PolarHBondContact N-O 3.05Å; F219-L239 HydrophobicContact CD2-CD1 4.35Å; F219-L239 HydrophobicContact CE1-CB 4.11Å; F219-L239 HydrophobicContact CE2-CB 4.45Å; F219-L239 HydrophobicContact CE2-CD1 3.88Å; F219-L239 HydrophobicContact CZ-CB 3.89Å; F219-L239 HydrophobicContact CZ-CD1 4.17Å; F219-T240 PolarHBondContact O-N 3.14Å; F219-W249 AromaticContact CE2-CH2 3.91Å; F219-W249 HydrophobicContact CE2-CH2 3.91Å; F219-W249 AromaticContact CE2-CZ3 3.92Å; F219-W249 HydrophobicContact CE2-CZ3 3.92Å; F219-L272 HydrophobicContact CE2-CD2 4.31Å
220	Y	97.8	Very high	96.8	Very high	31 Å²	31	38.9 Å²	38.9	12%	0.122	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-146.8	165.1	169.6	58.9	-87.6	0	0	0	108.5	N199 E222 S223 F242 W265	N199-Y220 WeakPolarHBondContact OD1-CE1 3.38Å; Y220-E222 VanDerWaalsContact C-N 3.29Å; Y220-E222 HydrophobicContact CD2-CB 4.24Å; Y220-E222 VanDerWaalsContact CD2-OE2 3.29Å; Y220-E222 WeakPolarHBondContact CD2-OE2 3.49Å; Y220-E222 HydrophobicContact CE2-CB 4.01Å; Y220-E222 PolarHBondContact O-N 3Å; Y220-E222 VanDerWaalsContact O-N 3.1Å; Y220-S223 CarbonylContact O-C 3.52Å; Y220-S223 WeakPolarHBondContact O-CA 3.44Å; Y220-S223 PolarHBondContact O-N 3.45Å; Y220-F242 HydrophobicContact CD1-CD2 4.37Å; Y220-F242 AromaticContact CD1-CE2 3.62Å; Y220-F242 HydrophobicContact CD1-CE2 3.62Å; Y220-F242 HydrophobicContact CD2-CD2 4.32Å; Y220-F242 HydrophobicContact CD2-CE2 4.28Å; Y220-F242 HydrophobicContact CE1-CE2 4.15Å; Y220-F242 AromaticContact CG-CD2 3.97Å; Y220-F242 HydrophobicContact CG-CD2 3.97Å; Y220-F242 AromaticContact CG-CE2 3.69Å; Y220-F242 HydrophobicContact CG-CE2 3.69Å; Y220-W265 HydrophobicContact CE2-CZ2 4.23Å
221	P	97.4	Very high	96.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.5	-165.5	-29.1	36.4	0	0	0	115.3	S223 D246 W249 F264 P268 A269	P221-S223 VanDerWaalsContact C-N 3.32Å; P221-D246 HydrophobicContact CG-CB 3.71Å; P221-W249 HydrophobicContact CB-CD2 3.63Å; P221-W249 HydrophobicContact CB-CE3 3.9Å; P221-W249 HydrophobicContact CB-CG 4.03Å; P221-W249 HydrophobicContact CB-CH2 4.37Å; P221-W249 HydrophobicContact CB-CZ2 4.15Å; P221-W249 HydrophobicContact CB-CZ3 4.26Å; P221-W249 HydrophobicContact CG-CB 4.5Å; P221-W249 HydrophobicContact CG-CD2 3.67Å; P221-W249 HydrophobicContact CG-CE3 3.49Å; P221-W249 VanDerWaalsContact CG-CE3 3.49Å; P221-W249 HydrophobicContact CG-CG 4.14Å; P221-W249 HydrophobicContact CG-CZ3 3.94Å; P221-F264 HydrophobicContact CB-CD1 4.18Å; P221-F264 HydrophobicContact CB-CE1 3.64Å; P221-F264 HydrophobicContact CB-CZ 4.42Å; P221-F264 HydrophobicContact CG-CE1 3.88Å; P221-P268 HydrophobicContact CB-CB 3.81Å; P221-P268 WeakPolarHBondContact O-CA 3.06Å; P221-A269 PolarHBondContact O-N 2.95Å
222	E	95.6	Very high	96.5	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.023	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.8	179.8	-51.8	96.4	135.2	0	0	113.9	Y220 K243 F264 W265 K266	Y220-E222 VanDerWaalsContact C-N 3.29Å; Y220-E222 HydrophobicContact CD2-CB 4.24Å; Y220-E222 VanDerWaalsContact CD2-OE2 3.29Å; Y220-E222 WeakPolarHBondContact CD2-OE2 3.49Å; Y220-E222 HydrophobicContact CE2-CB 4.01Å; Y220-E222 PolarHBondContact O-N 3Å; Y220-E222 VanDerWaalsContact O-N 3.1Å; E222-K243 IonicContact OE1-NZ 3.7Å; E222-K243 PolarHBondContact OE1-NZ 3.13Å; E222-K243 IonicContact OE2-NZ 2.76Å; E222-F264 VanDerWaalsContact CD-CD1 3.48Å; E222-F264 HydrophobicContact CG-CB 4.16Å; E222-F264 HydrophobicContact CG-CD1 3.93Å; E222-F264 WeakPolarHBondContact OE1-CD1 3.31Å; E222-W265 HydrophobicContact CB-CZ2 3.74Å; E222-W265 HydrophobicContact CG-CG 4.47Å; E222-W265 HydrophobicContact CG-CZ2 4.48Å; E222-W265 PolarHBondContact OE1-NE1 3Å; E222-K266 HydrophobicContact CB-CB 4.25Å; E222-K266 HydrophobicContact CG-CB 4.4Å; E222-K266 WeakPolarHBondContact CG-O 3.33Å; E222-K266 PolarHBondContact O-NZ 3.27Å
223	S	95.6	Very high	96.3	Very high	14 Å²	14	39.8 Å²	39.8	10%	0.098	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-141.8	73.2	179.1	-159.1	0	0	0	0	113.1	N199 N200 Y220 P221	N199-S223 VanDerWaalsContact CB-OG 3.26Å; N199-S223 WeakPolarHBondContact CB-OG 3.47Å; N200-S223 WeakPolarHBondContact OD1-CA 3.24Å; N200-S223 PolarHBondContact OD1-OG 3.42Å; Y220-S223 CarbonylContact O-C 3.52Å; Y220-S223 WeakPolarHBondContact O-CA 3.44Å; Y220-S223 PolarHBondContact O-N 3.45Å; P221-S223 VanDerWaalsContact C-N 3.32Å
224	V	96.2	Very high	96.1	Very high	11 Å²	11	40.6 Å²	40.6	7%	0.067	23%	0.226	C	C	.	.	S	Bend	trans	-146.5	151.3	175.1	65	0	0	0	0	109.7	N200 F219 W249 A269 L272 Y274	N200-V224 PolarHBondContact ND2-O 3.05Å; N200-V224 PolarHBondContact OD1-N 3.43Å; N200-V224 VanDerWaalsContact OD1-N 3.16Å; F219-V224 HydrophobicContact CB-CB 3.99Å; F219-V224 HydrophobicContact CB-CG2 3.96Å; F219-V224 HydrophobicContact CD2-CB 3.63Å; F219-V224 HydrophobicContact CD2-CG1 4.31Å; F219-V224 HydrophobicContact CD2-CG2 3.49Å; F219-V224 VanDerWaalsContact CD2-CG2 3.49Å; F219-V224 HydrophobicContact CE2-CB 4.47Å; F219-V224 HydrophobicContact CE2-CG2 4.1Å; F219-V224 HydrophobicContact CG-CB 4.11Å; F219-V224 HydrophobicContact CG-CG2 3.78Å; V224-W249 HydrophobicContact CG1-CH2 4.3Å; V224-W249 HydrophobicContact CG1-CZ2 4.39Å; V224-A269 HydrophobicContact CG1-CB 3.4Å; V224-A269 VanDerWaalsContact CG1-CB 3.4Å; V224-L272 HydrophobicContact CG1-CD2 4.21Å; V224-L272 HydrophobicContact CG2-CD2 3.88Å; V224-Y274 HydrophobicContact CG2-CD2 4.42Å; V224-Y274 HydrophobicContact CG2-CE2 3.82Å
225	F	95.1	Very high	96	Very high	18 Å²	18	40.2 Å²	40.2	8%	0.079	22%	0.224	C	C	.	.			trans	-73.4	139.7	174.7	-69.7	-62.5	0	0	0	111.1	N200 P202 H230 I273	N200-F225 HydrophobicContact CB-CD1 4.32Å; N200-F225 HydrophobicContact CB-CE1 3.86Å; N200-F225 HydrophobicContact CB-CZ 4.11Å; N200-F225 WeakPolarHBondContact ND2-CD1 3.33Å; N200-F225 PolarHBondContact ND2-N 2.85Å; N200-F225 VanDerWaalsContact O-CZ 3.29Å; N200-F225 WeakPolarHBondContact O-CZ 3.11Å; P202-F225 HydrophobicContact CB-CZ 4.25Å; F225-H230 HydrophobicContact CB-CB 3.95Å; F225-H230 HydrophobicContact CD1-CB 4.13Å; F225-H230 AromaticContact CD1-CD2 3.26Å; F225-H230 WeakPolarHBondContact CD1-CD2 3.24Å; F225-H230 AromaticContact CD1-CG 3.75Å; F225-H230 AromaticContact CD1-NE2 3.83Å; F225-H230 HydrophobicContact CD2-CB 3.87Å; F225-H230 AromaticContact CE1-CD2 3.56Å; F225-H230 AromaticContact CE1-CG 3.93Å; F225-H230 AromaticContact CE1-NE2 3.67Å; F225-H230 HydrophobicContact CE2-CB 4.34Å; F225-H230 HydrophobicContact CG-CB 3.74Å; F225-H230 AromaticContact CG-CD2 3.8Å; F225-H230 AromaticContact CG-CG 3.9Å; F225-I273 HydrophobicContact CB-CD1 3.8Å
226	S	93.5	Very high	96	Very high	47 Å²	47	40 Å²	40	33%	0.329	22%	0.223	S	C	.	.			trans	-118.4	-10.1	172.1	-66.2	0	0	0	0	113	A269 N271 I273	S226-A269 WeakPolarHBondContact OG-CB 3.13Å; S226-N271 PolarHBondContact OG-O 3.47Å; S226-I273 VanDerWaalsContact C-CG2 3.46Å; S226-I273 VanDerWaalsContact O-CG2 3.25Å; S226-I273 WeakPolarHBondContact O-CG2 3.49Å
227	D	94.6	Very high	96	Very high	90 Å²	90	40 Å²	40	48%	0.481	22%	0.222	S	C	.	.	S	Bend	trans	-83.2	123.5	176	-168	-37.5	0	0	0	109.8	I229 H230 I273	D227-I229 HydrophobicContact CB-CG2 4.14Å; D227-I229 PolarHBondContact O-N 3.37Å; D227-I229 VanDerWaalsContact O-N 3.11Å; D227-I229 WeakPolarHBondContact OD1-CB 3.45Å; D227-I229 VanDerWaalsContact OD1-CG2 3.3Å; D227-I229 WeakPolarHBondContact OD1-CG2 3.43Å; D227-I229 PolarHBondContact OD1-N 2.65Å; D227-H230 PolarHBondContact O-N 3.17Å; D227-H230 VanDerWaalsContact O-N 3.13Å; D227-I273 WeakPolarHBondContact O-CD1 3.46Å
228	P	94.8	Very high	96	Very high	92 Å²	92	39.3 Å²	39.3	60%	0.597	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-56.2	-21.9	178.1	-25.9	35.3	0	0	0	114.9	H230 N231 I273	P228-H230 PolarHBondContact O-N 2.6Å; P228-H230 VanDerWaalsContact O-N 3.13Å; P228-N231 WeakPolarHBondContact O-CB 3.35Å; P228-N231 PolarHBondContact O-N 3.04Å; P228-I273 HydrophobicContact CG-CG2 4.42Å
229	I	95	Very high	96	Very high	103 Å²	103	39.3 Å²	39.3	53%	0.528	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-60.9	-22.4	177.2	-156.4	175.8	0	0	0	112.8	L204 D227	L204-I229 HydrophobicContact CD2-CD1 3.49Å; L204-I229 VanDerWaalsContact CD2-CD1 3.49Å; L204-I229 HydrophobicContact CD2-CG1 3.75Å; D227-I229 HydrophobicContact CB-CG2 4.14Å; D227-I229 PolarHBondContact O-N 3.37Å; D227-I229 VanDerWaalsContact O-N 3.11Å; D227-I229 WeakPolarHBondContact OD1-CB 3.45Å; D227-I229 VanDerWaalsContact OD1-CG2 3.3Å; D227-I229 WeakPolarHBondContact OD1-CG2 3.43Å; D227-I229 PolarHBondContact OD1-N 2.65Å
230	H	95	Very high	96	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.255	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-94.3	5.1	177.4	-62.3	-54.9	0	0	0	113.4	F225 D227 P228 D232 I273	F225-H230 HydrophobicContact CB-CB 3.95Å; F225-H230 HydrophobicContact CD1-CB 4.13Å; F225-H230 AromaticContact CD1-CD2 3.26Å; F225-H230 WeakPolarHBondContact CD1-CD2 3.24Å; F225-H230 AromaticContact CD1-CG 3.75Å; F225-H230 AromaticContact CD1-NE2 3.83Å; F225-H230 HydrophobicContact CD2-CB 3.87Å; F225-H230 AromaticContact CE1-CD2 3.56Å; F225-H230 AromaticContact CE1-CG 3.93Å; F225-H230 AromaticContact CE1-NE2 3.67Å; F225-H230 HydrophobicContact CE2-CB 4.34Å; F225-H230 HydrophobicContact CG-CB 3.74Å; F225-H230 AromaticContact CG-CD2 3.8Å; F225-H230 AromaticContact CG-CG 3.9Å; D227-H230 PolarHBondContact O-N 3.17Å; D227-H230 VanDerWaalsContact O-N 3.13Å; P228-H230 PolarHBondContact O-N 2.6Å; P228-H230 VanDerWaalsContact O-N 3.13Å; H230-D232 PolarHBondContact O-N 2.82Å; H230-I273 HydrophobicContact CB-CD1 4.21Å
231	N	93.9	Very high	96	Very high	70 Å²	70	37.9 Å²	37.9	37%	0.374	21%	0.214	S	C	.	.			trans	-74.8	125.2	-179.9	-175.2	35	0	0	0	110.8	P228 I273	P228-N231 WeakPolarHBondContact O-CB 3.35Å; P228-N231 PolarHBondContact O-N 3.04Å; N231-I273 HydrophobicContact CB-CB 4.39Å; N231-I273 HydrophobicContact CB-CD1 4.17Å; N231-I273 HydrophobicContact CB-CG1 4.48Å; N231-I273 PolarHBondContact OD1-O 3.14Å
232	D	94.8	Very high	96	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.219	22%	0.216	C	C	.	.			trans	-118.7	114.7	168.3	172.7	7.2	0	0	0	108	H230 N234 T235 Q278	H230-D232 PolarHBondContact O-N 2.82Å; D232-N234 PolarHBondContact O-N 2.86Å; D232-N234 WeakPolarHBondContact OD1-CB 3.49Å; D232-N234 PolarHBondContact OD1-N 3.21Å; D232-T235 WeakPolarHBondContact CB-OG1 3.36Å; D232-T235 PolarHBondContact O-N 2.89Å; D232-T235 VanDerWaalsContact O-N 3.16Å; D232-T235 PolarHBondContact OD2-OG1 3.05Å; D232-Q278 PolarHBondContact O-NE2 3.43Å
233	P	94.2	Very high	96	Very high	78 Å²	78	38.7 Å²	38.7	51%	0.506	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.5	-177.9	27.5	-35.2	0	0	0	113.3	Q278	P233-Q278 PolarHBondContact O-NE2 3.47Å
234	N	93.8	Very high	96	Very high	136 Å²	136	39.8 Å²	39.8	73%	0.727	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-10	-180	-61.4	-42.8	0	0	0	112.7	D232	D232-N234 PolarHBondContact O-N 2.86Å; D232-N234 WeakPolarHBondContact OD1-CB 3.49Å; D232-N234 PolarHBondContact OD1-N 3.21Å
235	T	96.6	Very high	96.1	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.025	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-77.1	129.3	177.1	-71.8	0	0	0	0	110.6	T214 R217 D232 V237 Q278	T214-T235 VanDerWaalsContact CB-OG1 3.3Å; T214-T235 WeakPolarHBondContact CB-OG1 3.23Å; T214-T235 HydrophobicContact CG2-CG2 3.89Å; T214-T235 PolarHBondContact O-OG1 2.73Å; R217-T235 HydrophobicContact CB-CG2 4.01Å; D232-T235 WeakPolarHBondContact CB-OG1 3.36Å; D232-T235 PolarHBondContact O-N 2.89Å; D232-T235 VanDerWaalsContact O-N 3.16Å; D232-T235 PolarHBondContact OD2-OG1 3.05Å; T235-V237 HydrophobicContact CG2-CG1 3.84Å; T235-Q278 PolarHBondContact O-NE2 2.82Å
236	T	98.1	Very high	96.2	Very high	28 Å²	28	41 Å²	41	17%	0.172	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.7	162.5	-65.1	0	0	0	0	109.5	T215 F216 R217 Q278 R280	T215-T236 PolarHBondContact O-N 2.98Å; F216-T236 CarbonylContact C-O 3.52Å; F216-T236 VanDerWaalsContact CA-O 3.24Å; F216-T236 WeakPolarHBondContact CA-O 3.28Å; F216-T236 HydrophobicContact CD1-CG2 3.85Å; F216-T236 HydrophobicContact CE1-CG2 3.88Å; R217-T236 PolarHBondContact N-O 3.4Å; T236-Q278 CarbonylContact C-O 3.43Å; T236-Q278 WeakPolarHBondContact CA-O 3.36Å; T236-Q278 WeakPolarHBondContact CG2-O 3.5Å; T236-R280 HydrophobicContact CG2-CB 4.49Å; T236-R280 HydrophobicContact CG2-CG 3.55Å
237	V	98.1	Very high	96.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.4	179.1	-63.3	0	0	0	0	111.4	R217 F219 T235 Y274 Q278 I279 R280	R217-V237 HydrophobicContact CB-CG1 4.33Å; R217-V237 CarbonylContact O-C 3.14Å; R217-V237 WeakPolarHBondContact O-CA 3.39Å; F219-V237 HydrophobicContact CD1-CB 3.75Å; F219-V237 HydrophobicContact CD1-CG2 4.3Å; F219-V237 HydrophobicContact CE1-CB 3.58Å; F219-V237 HydrophobicContact CE1-CG2 3.63Å; F219-V237 HydrophobicContact CZ-CG2 4.35Å; T235-V237 HydrophobicContact CG2-CG1 3.84Å; V237-Y274 HydrophobicContact CB-CD1 4.47Å; V237-Y274 HydrophobicContact CB-CD2 4.3Å; V237-Y274 HydrophobicContact CB-CE2 4.5Å; V237-Y274 HydrophobicContact CB-CG 4.29Å; V237-Y274 HydrophobicContact CG1-CD1 3.48Å; V237-Y274 VanDerWaalsContact CG1-CD1 3.48Å; V237-Y274 HydrophobicContact CG1-CD2 3.83Å; V237-Y274 HydrophobicContact CG1-CE1 3.35Å; V237-Y274 HydrophobicContact CG1-CE2 3.72Å; V237-Y274 HydrophobicContact CG1-CG 3.7Å; V237-Y274 VanDerWaalsContact CG1-CZ 3.48Å; V237-Y274 HydrophobicContact CG2-CD1 4.16Å; V237-Y274 HydrophobicContact CG2-CD2 3.86Å; V237-Y274 HydrophobicContact CG2-CG 3.65Å; V237-Q278 PolarHBondContact N-O 3.31Å; V237-I279 HydrophobicContact CG2-CB 4.3Å; V237-I279 HydrophobicContact CG2-CG1 3.67Å; V237-I279 CarbonylContact O-C 3.59Å; V237-I279 WeakPolarHBondContact O-CA 3.31Å; V237-R280 PolarHBondContact O-N 3.24Å
238	I	98.8	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.7	-171.2	-57.9	169.9	0	0	0	108.4	F116 F216 R217 L218 F219 T240 R280 L282 L319	F116-I238 HydrophobicContact CE1-CD1 3.64Å; F116-I238 HydrophobicContact CE1-CG1 3.88Å; F116-I238 HydrophobicContact CE1-CG2 3.99Å; F116-I238 HydrophobicContact CZ-CD1 3.54Å; F116-I238 HydrophobicContact CZ-CG1 3.93Å; F216-I238 HydrophobicContact CB-CD1 3.74Å; F216-I238 HydrophobicContact CD1-CD1 3.76Å; F216-I238 HydrophobicContact CD1-CG1 4.28Å; F216-I238 HydrophobicContact CG-CD1 3.86Å; R217-I238 PolarHBondContact O-N 3.09Å; L218-I238 WeakPolarHBondContact CA-O 3.47Å; L218-I238 HydrophobicContact CD1-CD1 4.09Å; L218-I238 HydrophobicContact CG-CB 4.22Å; L218-I238 HydrophobicContact CG-CG2 4.39Å; F219-I238 WeakPolarHBondContact CD1-O 3.49Å; F219-I238 PolarHBondContact N-O 3.05Å; I238-T240 PolarHBondContact O-N 3.24Å; I238-R280 CarbonylContact C-O 3.55Å; I238-R280 WeakPolarHBondContact CA-O 3.42Å; I238-R280 HydrophobicContact CG1-CB 4.48Å; I238-L282 HydrophobicContact CG2-CB 3.74Å; I238-L282 HydrophobicContact CG2-CD1 4.04Å; I238-L282 HydrophobicContact CG2-CG 4.36Å; I238-L319 HydrophobicContact CD1-CD2 3.5Å
239	L	98.7	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	115.6	172.4	177.2	63.8	0	0	0	108.8	F219 L247 W249 L250 R280 I281 L282	F219-L239 HydrophobicContact CD2-CD1 4.35Å; F219-L239 HydrophobicContact CE1-CB 4.11Å; F219-L239 HydrophobicContact CE2-CB 4.45Å; F219-L239 HydrophobicContact CE2-CD1 3.88Å; F219-L239 HydrophobicContact CZ-CB 3.89Å; F219-L239 HydrophobicContact CZ-CD1 4.17Å; L239-L247 HydrophobicContact CD2-CD2 4.23Å; L239-W249 HydrophobicContact CD1-CZ3 4.43Å; L239-L250 HydrophobicContact CD2-CB 4.07Å; L239-L250 HydrophobicContact CD2-CD2 3.54Å; L239-L250 HydrophobicContact CD2-CG 4.36Å; L239-R280 PolarHBondContact N-O 3.11Å; L239-I281 HydrophobicContact CB-CG1 4.49Å; L239-I281 HydrophobicContact CD2-CG1 4.41Å; L239-L282 PolarHBondContact O-N 3.08Å
240	T	98.4	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.			trans	-93.5	95.4	170.7	-54	0	0	0	0	108	F219 I238 F242 L282 I287 I315	F219-T240 PolarHBondContact O-N 3.14Å; I238-T240 PolarHBondContact O-N 3.24Å; T240-F242 HydrophobicContact CG2-CD1 4.18Å; T240-F242 HydrophobicContact CG2-CE1 3.56Å; T240-F242 HydrophobicContact CG2-CE2 4.2Å; T240-F242 HydrophobicContact CG2-CZ 3.56Å; T240-F242 PolarHBondContact O-N 3.16Å; T240-L282 HydrophobicContact CG2-CD2 4.23Å; T240-I287 HydrophobicContact CG2-CD1 3.56Å; T240-I287 HydrophobicContact CG2-CG1 4.16Å; T240-I315 HydrophobicContact CG2-CD1 4.09Å; T240-I315 HydrophobicContact CG2-CG2 4.31Å
241	A	98	Very high	97	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.017	15%	0.145	C	C	.	.			trans	-75.4	124.8	-177.2	0	0	0	0	0	110.7	L136 F147 L247	L136-A241 HydrophobicContact CD2-CB 4.16Å; L136-A241 WeakPolarHBondContact CD2-O 3.45Å; F147-A241 HydrophobicContact CE1-CB 4.41Å; F147-A241 HydrophobicContact CZ-CB 4.26Å; A241-L247 HydrophobicContact CB-CD1 4.38Å; A241-L247 HydrophobicContact CB-CD2 3.97Å; A241-L247 HydrophobicContact CB-CG 3.99Å
242	F	96.4	Very high	97.1	Very high	11 Å²	11	25.2 Å²	25.2	5%	0.048	13%	0.133	C	C	.	.			trans	-110.2	-38.9	-176.5	-75.8	-38.9	0	0	0	110.8	W2 L136 P137 Y220 T240 D246 I287 I315	W2-F242 HydrophobicContact CD2-CB 4.15Å; W2-F242 AromaticContact CE2-CD1 3.5Å; W2-F242 AromaticContact CE2-CG 3.34Å; W2-F242 HydrophobicContact CH2-CB 3.75Å; W2-F242 HydrophobicContact CH2-CD1 4.41Å; W2-F242 HydrophobicContact CH2-CG 4.44Å; W2-F242 WeakPolarHBondContact CH2-O 3.21Å; W2-F242 HydrophobicContact CZ2-CB 3.09Å; W2-F242 AromaticContact CZ2-CD1 3.22Å; W2-F242 HydrophobicContact CZ2-CD1 3.22Å; W2-F242 HydrophobicContact CZ2-CD2 4.5Å; W2-F242 HydrophobicContact CZ2-CE1 4.21Å; W2-F242 AromaticContact CZ2-CG 3.36Å; W2-F242 HydrophobicContact CZ2-CG 3.36Å; W2-F242 WeakPolarHBondContact CZ2-O 3.3Å; W2-F242 HydrophobicContact CZ3-CB 4.47Å; W2-F242 WeakPolarHBondContact CZ3-O 3.44Å; W2-F242 AromaticContact NE1-CD1 3.28Å; W2-F242 VanDerWaalsContact NE1-CD1 3.28Å; W2-F242 AromaticContact NE1-CD2 3.41Å; W2-F242 AromaticContact NE1-CE1 3.7Å; W2-F242 AromaticContact NE1-CE2 3.86Å; W2-F242 AromaticContact NE1-CG 3.06Å; W2-F242 AromaticContact NE1-CZ 3.97Å; L136-F242 WeakPolarHBondContact CB-O 3.09Å; P137-F242 HydrophobicContact CB-CD1 4.06Å; Y220-F242 HydrophobicContact CD1-CD2 4.37Å; Y220-F242 AromaticContact CD1-CE2 3.62Å; Y220-F242 HydrophobicContact CD1-CE2 3.62Å; Y220-F242 HydrophobicContact CD2-CD2 4.32Å; Y220-F242 HydrophobicContact CD2-CE2 4.28Å; Y220-F242 HydrophobicContact CE1-CE2 4.15Å; Y220-F242 AromaticContact CG-CD2 3.97Å; Y220-F242 HydrophobicContact CG-CD2 3.97Å; Y220-F242 AromaticContact CG-CE2 3.69Å; Y220-F242 HydrophobicContact CG-CE2 3.69Å; T240-F242 HydrophobicContact CG2-CD1 4.18Å; T240-F242 HydrophobicContact CG2-CE1 3.56Å; T240-F242 HydrophobicContact CG2-CE2 4.2Å; T240-F242 HydrophobicContact CG2-CZ 3.56Å; T240-F242 PolarHBondContact O-N 3.16Å; F242-D246 WeakPolarHBondContact CA-OD2 3.44Å; F242-D246 VanDerWaalsContact CB-OD2 3.25Å; F242-D246 WeakPolarHBondContact CB-OD2 3.26Å; F242-D246 PolarHBondContact N-OD2 3.48Å; F242-I287 HydrophobicContact CD1-CD1 4.28Å; F242-I287 HydrophobicContact CE1-CD1 4.21Å; F242-I315 HydrophobicContact CE1-CD1 3.87Å; F242-I315 HydrophobicContact CZ-CD1 4.03Å
243	K	95.6	Very high	97.1	Very high	13 Å²	13	24.7 Å²	24.7	6%	0.057	13%	0.13	C	C	.	.	S	Bend	trans	-136.2	157.9	178.7	50.8	-174.1	-177.9	-54.9	0	110	E222 H245 D246	E222-K243 IonicContact OE1-NZ 3.7Å; E222-K243 PolarHBondContact OE1-NZ 3.13Å; E222-K243 IonicContact OE2-NZ 2.76Å; K243-H245 HydrophobicContact CD-CB 4.28Å; K243-H245 HydrophobicContact CG-CB 4.14Å; K243-H245 PolarHBondContact O-N 3.13Å; K243-D246 WeakPolarHBondContact CE-OD1 3.26Å; K243-D246 VanDerWaalsContact CG-OD1 3.3Å; K243-D246 WeakPolarHBondContact CG-OD1 3.42Å; K243-D246 WeakPolarHBondContact CG-OD2 3.4Å; K243-D246 PolarHBondContact N-OD2 2.96Å; K243-D246 IonicContact NZ-OD1 3.56Å; K243-D246 PolarHBondContact NZ-OD1 3.36Å; K243-D246 IonicContact NZ-OD2 2.73Å; K243-D246 WeakPolarHBondContact O-CB 3.49Å; K243-D246 PolarHBondContact O-N 2.93Å
244	P	96.8	Very high	97.2	Very high	36 Å²	36	23.2 Å²	23.2	23%	0.234	12%	0.118	C	C	.	.	H	α-helix	trans	-53.7	-30.9	177	-27.8	35	0	0	0	113.7	L136 Y146 D246 L247 R248	L136-P244 HydrophobicContact CD1-CG 4.17Å; Y146-P244 HydrophobicContact CD1-CB 4.28Å; Y146-P244 HydrophobicContact CD2-CB 3.9Å; Y146-P244 HydrophobicContact CE1-CB 4.27Å; Y146-P244 HydrophobicContact CE2-CB 3.88Å; Y146-P244 HydrophobicContact CG-CB 4.1Å; P244-D246 PolarHBondContact O-N 3.11Å; P244-L247 PolarHBondContact O-N 2.98Å; P244-R248 PolarHBondContact O-N 3.08Å
245	H	97.1	Very high	97.2	Very high	54 Å²	54	20.5 Å²	20.5	25%	0.25	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-29.5	175.6	-63.7	81.2	0	0	0	112.9	K243 R248 W249 F264	K243-H245 HydrophobicContact CD-CB 4.28Å; K243-H245 HydrophobicContact CG-CB 4.14Å; K243-H245 PolarHBondContact O-N 3.13Å; H245-R248 PolarHBondContact O-N 3.49Å; H245-W249 VanDerWaalsContact O-CB 3.23Å; H245-W249 WeakPolarHBondContact O-CB 3.22Å; H245-W249 PolarHBondContact O-N 3.48Å; H245-F264 HydrophobicContact CB-CE1 4.46Å; H245-F264 HydrophobicContact CB-CE2 4.32Å; H245-F264 HydrophobicContact CB-CZ 3.93Å
246	D	98.1	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.1	-38.5	179.7	-52.8	-29.3	0	0	0	111.7	P221 F242 K243 P244 L250 F264	P221-D246 HydrophobicContact CG-CB 3.71Å; F242-D246 WeakPolarHBondContact CA-OD2 3.44Å; F242-D246 VanDerWaalsContact CB-OD2 3.25Å; F242-D246 WeakPolarHBondContact CB-OD2 3.26Å; F242-D246 PolarHBondContact N-OD2 3.48Å; K243-D246 WeakPolarHBondContact CE-OD1 3.26Å; K243-D246 VanDerWaalsContact CG-OD1 3.3Å; K243-D246 WeakPolarHBondContact CG-OD1 3.42Å; K243-D246 WeakPolarHBondContact CG-OD2 3.4Å; K243-D246 PolarHBondContact N-OD2 2.96Å; K243-D246 IonicContact NZ-OD1 3.56Å; K243-D246 PolarHBondContact NZ-OD1 3.36Å; K243-D246 IonicContact NZ-OD2 2.73Å; K243-D246 WeakPolarHBondContact O-CB 3.49Å; K243-D246 PolarHBondContact O-N 2.93Å; P244-D246 PolarHBondContact O-N 3.11Å; D246-L250 PolarHBondContact O-N 3.18Å; D246-L250 VanDerWaalsContact O-N 3.1Å; D246-F264 WeakPolarHBondContact OD1-CE1 3.5Å
247	L	98.3	Very high	96.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-71.6	-39.1	176.2	-66.5	165.9	0	0	0	111	L136 F147 A150 L239 A241 P244 L250 L251 I281	L136-L247 HydrophobicContact CD1-CD1 4.18Å; F147-L247 HydrophobicContact CD1-CD1 3.95Å; F147-L247 HydrophobicContact CD1-CD2 3.93Å; F147-L247 HydrophobicContact CD2-CD1 3.6Å; F147-L247 HydrophobicContact CE1-CD1 4.01Å; F147-L247 HydrophobicContact CE1-CD2 4.01Å; F147-L247 HydrophobicContact CE2-CD1 3.66Å; F147-L247 HydrophobicContact CG-CD1 3.76Å; F147-L247 HydrophobicContact CG-CD2 4.45Å; F147-L247 HydrophobicContact CZ-CD1 3.87Å; A150-L247 HydrophobicContact CB-CB 4.37Å; A150-L247 HydrophobicContact CB-CD2 4.1Å; L239-L247 HydrophobicContact CD2-CD2 4.23Å; A241-L247 HydrophobicContact CB-CD1 4.38Å; A241-L247 HydrophobicContact CB-CD2 3.97Å; A241-L247 HydrophobicContact CB-CG 3.99Å; P244-L247 PolarHBondContact O-N 2.98Å; L247-L250 PolarHBondContact O-N 2.81Å; L247-L251 PolarHBondContact O-N 3.42Å; L247-I281 HydrophobicContact CD2-CD1 3.99Å; L247-I281 HydrophobicContact CD2-CG2 4.32Å
248	R	97.5	Very high	96.6	Very high	77 Å²	77	35.9 Å²	35.9	29%	0.291	19%	0.189	S	C	.	.	H	α-helix	trans	-61.7	-45.8	172.3	-173.5	-172.1	-63	172.2	1.6	111.3	Y146 P244 H245 L250 L251 E252	Y146-R248 HydrophobicContact CD1-CB 4.24Å; Y146-R248 HydrophobicContact CE1-CB 4.2Å; Y146-R248 PolarHBondContact OH-NH2 3.47Å; P244-R248 PolarHBondContact O-N 3.08Å; H245-R248 PolarHBondContact O-N 3.49Å; R248-L250 VanDerWaalsContact C-N 3.3Å; R248-L250 PolarHBondContact O-N 3.34Å; R248-L251 WeakPolarHBondContact O-CB 3.19Å; R248-L251 PolarHBondContact O-N 3.28Å; R248-L251 VanDerWaalsContact O-N 3.14Å; R248-E252 VanDerWaalsContact CD-OE1 3.24Å; R248-E252 WeakPolarHBondContact CD-OE1 3.46Å; R248-E252 HydrophobicContact CG-CG 4.25Å; R248-E252 WeakPolarHBondContact CG-OE1 3.27Å; R248-E252 WeakPolarHBondContact O-CG 3.29Å; R248-E252 PolarHBondContact O-N 3.21Å
249	W	97.9	Very high	96.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-57.8	-42.8	177.2	163.7	88.2	0	0	0	112.1	F219 P221 V224 L239 H245 E252 L253 F264 A269 L272	F219-W249 AromaticContact CE2-CH2 3.91Å; F219-W249 HydrophobicContact CE2-CH2 3.91Å; F219-W249 AromaticContact CE2-CZ3 3.92Å; F219-W249 HydrophobicContact CE2-CZ3 3.92Å; P221-W249 HydrophobicContact CB-CD2 3.63Å; P221-W249 HydrophobicContact CB-CE3 3.9Å; P221-W249 HydrophobicContact CB-CG 4.03Å; P221-W249 HydrophobicContact CB-CH2 4.37Å; P221-W249 HydrophobicContact CB-CZ2 4.15Å; P221-W249 HydrophobicContact CB-CZ3 4.26Å; P221-W249 HydrophobicContact CG-CB 4.5Å; P221-W249 HydrophobicContact CG-CD2 3.67Å; P221-W249 HydrophobicContact CG-CE3 3.49Å; P221-W249 VanDerWaalsContact CG-CE3 3.49Å; P221-W249 HydrophobicContact CG-CG 4.14Å; P221-W249 HydrophobicContact CG-CZ3 3.94Å; V224-W249 HydrophobicContact CG1-CH2 4.3Å; V224-W249 HydrophobicContact CG1-CZ2 4.39Å; L239-W249 HydrophobicContact CD1-CZ3 4.43Å; H245-W249 VanDerWaalsContact O-CB 3.23Å; H245-W249 WeakPolarHBondContact O-CB 3.22Å; H245-W249 PolarHBondContact O-N 3.48Å; W249-E252 PolarHBondContact O-N 2.86Å; W249-L253 HydrophobicContact CD2-CD1 3.69Å; W249-L253 HydrophobicContact CE3-CD1 4.16Å; W249-L253 HydrophobicContact CG-CD1 4.3Å; W249-L253 HydrophobicContact CH2-CD1 3.75Å; W249-L253 HydrophobicContact CZ2-CD1 3.17Å; W249-L253 HydrophobicContact CZ3-CD1 4.19Å; W249-L253 WeakPolarHBondContact O-CB 3.49Å; W249-L253 PolarHBondContact O-N 2.93Å; W249-F264 HydrophobicContact CB-CZ 3.82Å; W249-F264 HydrophobicContact CG-CZ 4.29Å; W249-A269 HydrophobicContact CZ2-CB 3.96Å; W249-A269 PolarHBondContact NE1-O 2.75Å; W249-L272 HydrophobicContact CH2-CD1 3.77Å; W249-L272 HydrophobicContact CH2-CD2 3.7Å; W249-L272 HydrophobicContact CH2-CG 3.91Å; W249-L272 HydrophobicContact CZ2-CD1 4.39Å; W249-L272 HydrophobicContact CZ2-CD2 4.23Å; W249-L272 HydrophobicContact CZ2-CG 4.22Å; W249-L272 HydrophobicContact CZ3-CD1 4.21Å
250	L	98	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-44.9	175.6	177.5	63.3	0	0	0	110.8	A150 L154 L239 D246 L247 R248 L253 L254 L272 I279 I281	A150-L250 HydrophobicContact CB-CD2 4.36Å; L154-L250 HydrophobicContact CD2-CD2 4.44Å; L239-L250 HydrophobicContact CD2-CB 4.07Å; L239-L250 HydrophobicContact CD2-CD2 3.54Å; L239-L250 HydrophobicContact CD2-CG 4.36Å; D246-L250 PolarHBondContact O-N 3.18Å; D246-L250 VanDerWaalsContact O-N 3.1Å; L247-L250 PolarHBondContact O-N 2.81Å; R248-L250 VanDerWaalsContact C-N 3.3Å; R248-L250 PolarHBondContact O-N 3.34Å; L250-L253 PolarHBondContact O-N 2.83Å; L250-L254 HydrophobicContact CD1-CD1 3.84Å; L250-L254 HydrophobicContact CD1-CG 3.99Å; L250-L254 HydrophobicContact CG-CD1 3.94Å; L250-L254 HydrophobicContact CG-CG 4.4Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 VanDerWaalsContact O-CG 3.27Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.85Å; L250-L272 HydrophobicContact CD1-CD1 3.88Å; L250-I279 HydrophobicContact CD1-CD1 4.18Å; L250-I279 HydrophobicContact CD2-CG2 4.29Å; L250-I281 HydrophobicContact CD2-CD1 4.11Å; L250-I281 HydrophobicContact CD2-CG1 4.38Å
251	L	97.3	Very high	95.9	Very high	22 Å²	22	42.9 Å²	42.9	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-49.8	177.1	179	66.7	0	0	0	111.7	L149 K153 L247 R248 L253 L254 M255	L149-L251 HydrophobicContact CB-CD1 4.37Å; L149-L251 HydrophobicContact CB-CD2 3.83Å; L149-L251 HydrophobicContact CD1-CD2 4.21Å; K153-L251 HydrophobicContact CG-CD1 3.69Å; L247-L251 PolarHBondContact O-N 3.42Å; R248-L251 WeakPolarHBondContact O-CB 3.19Å; R248-L251 PolarHBondContact O-N 3.28Å; R248-L251 VanDerWaalsContact O-N 3.14Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.05Å; L251-L254 PolarHBondContact O-N 3.07Å; L251-M255 HydrophobicContact CD1-CE 4.16Å; L251-M255 HydrophobicContact CD1-CG 4.16Å; L251-M255 HydrophobicContact CD1-SD 3.57Å; L251-M255 VanDerWaalsContact CD1-SD 3.57Å; L251-M255 HydrophobicContact CD2-CE 4.29Å; L251-M255 HydrophobicContact CG-CE 3.78Å; L251-M255 HydrophobicContact CG-SD 3.9Å; L251-M255 VanDerWaalsContact O-CG 3.27Å; L251-M255 WeakPolarHBondContact O-CG 3.17Å; L251-M255 PolarHBondContact O-N 3.44Å
252	E	96.6	Very high	95.6	Very high	26 Å²	26	48.4 Å²	48.4	12%	0.121	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-45.8	179.2	-72.7	169.4	-179.6	0	0	111	R248 W249 L254 M255 G256 D257 I259 N260	R248-E252 VanDerWaalsContact CD-OE1 3.24Å; R248-E252 WeakPolarHBondContact CD-OE1 3.46Å; R248-E252 HydrophobicContact CG-CG 4.25Å; R248-E252 WeakPolarHBondContact CG-OE1 3.27Å; R248-E252 WeakPolarHBondContact O-CG 3.29Å; R248-E252 PolarHBondContact O-N 3.21Å; W249-E252 PolarHBondContact O-N 2.86Å; E252-L254 PolarHBondContact O-N 2.97Å; E252-M255 PolarHBondContact O-N 3.02Å; E252-G256 PolarHBondContact O-N 3.03Å; E252-G256 VanDerWaalsContact O-N 3.1Å; E252-D257 HydrophobicContact CB-CB 4.17Å; E252-D257 HydrophobicContact CG-CB 4.4Å; E252-D257 PolarHBondContact O-N 3.3Å; E252-I259 HydrophobicContact CB-CG1 4.43Å; E252-I259 WeakPolarHBondContact OE2-CA 3.26Å; E252-N260 PolarHBondContact OE2-N 3.32Å
253	L	95.8	Very high	95.2	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-46.1	176.3	-87.1	165.3	0	0	0	113.4	W249 L250 L251 M255 G256 I259 L270 L272	W249-L253 HydrophobicContact CD2-CD1 3.69Å; W249-L253 HydrophobicContact CE3-CD1 4.16Å; W249-L253 HydrophobicContact CG-CD1 4.3Å; W249-L253 HydrophobicContact CH2-CD1 3.75Å; W249-L253 HydrophobicContact CZ2-CD1 3.17Å; W249-L253 HydrophobicContact CZ3-CD1 4.19Å; W249-L253 WeakPolarHBondContact O-CB 3.49Å; W249-L253 PolarHBondContact O-N 2.93Å; L250-L253 PolarHBondContact O-N 2.83Å; L251-L253 VanDerWaalsContact C-N 3.33Å; L251-L253 PolarHBondContact O-N 3.05Å; L253-M255 PolarHBondContact O-N 3Å; L253-G256 PolarHBondContact O-N 3.17Å; L253-I259 HydrophobicContact CD1-CD1 4.47Å; L253-I259 HydrophobicContact CD2-CD1 3.44Å; L253-I259 VanDerWaalsContact CD2-CD1 3.44Å; L253-I259 HydrophobicContact CD2-CG1 4.38Å; L253-I259 HydrophobicContact CG-CD1 3.67Å; L253-I259 HydrophobicContact CG-CG1 4.2Å; L253-L270 WeakPolarHBondContact CD2-O 3.19Å; L253-L272 HydrophobicContact CD1-CD1 3.71Å; L253-L272 HydrophobicContact CD1-CG 3.82Å
254	L	94.9	Very high	95.1	Very high	48 Å²	48	50.9 Å²	50.9	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-72.9	-19.8	-177.5	-66.9	-178.8	0	0	0	112.9	K153 L154 L250 L251 E252 P276 I279	K153-L254 HydrophobicContact CB-CB 4.03Å; K153-L254 HydrophobicContact CB-CD1 3.6Å; K153-L254 HydrophobicContact CB-CG 4.48Å; K153-L254 HydrophobicContact CG-CB 4.45Å; L154-L254 HydrophobicContact CD2-CD1 3.75Å; L250-L254 HydrophobicContact CD1-CD1 3.84Å; L250-L254 HydrophobicContact CD1-CG 3.99Å; L250-L254 HydrophobicContact CG-CD1 3.94Å; L250-L254 HydrophobicContact CG-CG 4.4Å; L250-L254 WeakPolarHBondContact O-CB 3.39Å; L250-L254 VanDerWaalsContact O-CG 3.27Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 2.85Å; L251-L254 PolarHBondContact O-N 3.07Å; E252-L254 PolarHBondContact O-N 2.97Å; L254-P276 HydrophobicContact CD2-CG 4.09Å; L254-I279 HydrophobicContact CD2-CD1 4.32Å
255	M	94.5	Very high	94.6	Very high	78 Å²	78	53.4 Å²	53.4	38%	0.384	29%	0.289	S	S	.	.	H	α-helix	trans	-91.5	-10.2	174.4	-63.9	-172.8	-36.3	0	0	113	K153 L251 E252 L253 D257	K153-M255 HydrophobicContact CD-CG 4.45Å; L251-M255 HydrophobicContact CD1-CE 4.16Å; L251-M255 HydrophobicContact CD1-CG 4.16Å; L251-M255 HydrophobicContact CD1-SD 3.57Å; L251-M255 VanDerWaalsContact CD1-SD 3.57Å; L251-M255 HydrophobicContact CD2-CE 4.29Å; L251-M255 HydrophobicContact CG-CE 3.78Å; L251-M255 HydrophobicContact CG-SD 3.9Å; L251-M255 VanDerWaalsContact O-CG 3.27Å; L251-M255 WeakPolarHBondContact O-CG 3.17Å; L251-M255 PolarHBondContact O-N 3.44Å; E252-M255 PolarHBondContact O-N 3.02Å; L253-M255 PolarHBondContact O-N 3Å; M255-D257 VanDerWaalsContact C-N 3.28Å; M255-D257 WeakPolarHBondContact CE-OD2 3.39Å
256	G	93.1	Very high	94.3	Very high	70 Å²	70	55.8 Å²	55.8	72%	0.722	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	21.4	-173.3	0	0	0	0	0	113.2	E252 L253	E252-G256 PolarHBondContact O-N 3.03Å; E252-G256 VanDerWaalsContact O-N 3.1Å; L253-G256 PolarHBondContact O-N 3.17Å
257	D	92.9	Very high	94.1	Very high	87 Å²	87	62.9 Å²	62.9	47%	0.465	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-78.5	163.3	-179.8	-77	-4.3	0	0	0	112	E252 M255 I259	E252-D257 HydrophobicContact CB-CB 4.17Å; E252-D257 HydrophobicContact CG-CB 4.4Å; E252-D257 PolarHBondContact O-N 3.3Å; M255-D257 VanDerWaalsContact C-N 3.28Å; M255-D257 WeakPolarHBondContact CE-OD2 3.39Å; D257-I259 PolarHBondContact O-N 3.11Å
258	K	93.7	Very high	94	Very high	198 Å²	198	63 Å²	63	86%	0.861	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-66.5	117	169.9	-176.4	178.5	179.5	178.5	0	110.3	N260	K258-N260 PolarHBondContact O-N 3.41Å
259	I	94.5	Very high	93.8	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.128	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-71.8	126.9	-178.7	-58.8	163.3	0	0	0	111	E252 L253 D257 T261 L270	E252-I259 HydrophobicContact CB-CG1 4.43Å; E252-I259 WeakPolarHBondContact OE2-CA 3.26Å; L253-I259 HydrophobicContact CD1-CD1 4.47Å; L253-I259 HydrophobicContact CD2-CD1 3.44Å; L253-I259 VanDerWaalsContact CD2-CD1 3.44Å; L253-I259 HydrophobicContact CD2-CG1 4.38Å; L253-I259 HydrophobicContact CG-CD1 3.67Å; L253-I259 HydrophobicContact CG-CG1 4.2Å; D257-I259 PolarHBondContact O-N 3.11Å; I259-T261 HydrophobicContact CG2-CG2 4.43Å; I259-T261 PolarHBondContact O-N 3.48Å; I259-L270 HydrophobicContact CB-CD2 4.28Å; I259-L270 HydrophobicContact CD1-CB 4.25Å; I259-L270 HydrophobicContact CD1-CD2 4.09Å; I259-L270 VanDerWaalsContact CD1-O 3.27Å; I259-L270 WeakPolarHBondContact CD1-O 3.44Å; I259-L270 HydrophobicContact CG2-CD2 4.27Å
260	N	92.9	Very high	93.7	Very high	65 Å²	65	63.7 Å²	63.7	35%	0.348	34%	0.341	S	S	.	.			trans	-85.1	112.4	171.5	-173.3	-12.2	0	0	0	110.6	E252 K258 N262 F264	E252-N260 PolarHBondContact OE2-N 3.32Å; K258-N260 PolarHBondContact O-N 3.41Å; N260-N262 VanDerWaalsContact OD1-CB 3.26Å; N260-N262 WeakPolarHBondContact OD1-CB 3.5Å; N260-N262 PolarHBondContact OD1-N 3.4Å; N260-F264 WeakPolarHBondContact O-CE2 3.38Å
261	T	93.8	Very high	93.4	Very high	57 Å²	57	68.1 Å²	68.1	35%	0.35	36%	0.364	S	S	.	.			trans	-89.3	1.4	-178.7	60.9	0	0	0	0	114.1	I259 F264 P268 L270	I259-T261 HydrophobicContact CG2-CG2 4.43Å; I259-T261 PolarHBondContact O-N 3.48Å; T261-F264 WeakPolarHBondContact O-CD2 3.43Å; T261-P268 HydrophobicContact CG2-CG 4Å; T261-L270 HydrophobicContact CG2-CD2 3.84Å
262	N	92.3	Very high	93.2	Very high	118 Å²	118	68 Å²	68	63%	0.631	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	138.6	179.7	-65.1	-21.8	0	0	0	111	N260	N260-N262 VanDerWaalsContact OD1-CB 3.26Å; N260-N262 WeakPolarHBondContact OD1-CB 3.5Å; N260-N262 PolarHBondContact OD1-N 3.4Å
263	G	88	Confident	93.1	Very high	53 Å²	53	67.4 Å²	67.4	55%	0.546	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-0.5	-179.5	0	0	0	0	0	114.9
264	F	93.1	Very high	93.1	Very high	24 Å²	24	66.5 Å²	66.5	11%	0.105	36%	0.356	C	S	.	.			trans	-90.9	137.9	168.4	-63.4	-85.7	0	0	0	110.2	P221 E222 H245 D246 W249 N260 T261 K266 P268	P221-F264 HydrophobicContact CB-CD1 4.18Å; P221-F264 HydrophobicContact CB-CE1 3.64Å; P221-F264 HydrophobicContact CB-CZ 4.42Å; P221-F264 HydrophobicContact CG-CE1 3.88Å; E222-F264 VanDerWaalsContact CD-CD1 3.48Å; E222-F264 HydrophobicContact CG-CB 4.16Å; E222-F264 HydrophobicContact CG-CD1 3.93Å; E222-F264 WeakPolarHBondContact OE1-CD1 3.31Å; H245-F264 HydrophobicContact CB-CE1 4.46Å; H245-F264 HydrophobicContact CB-CE2 4.32Å; H245-F264 HydrophobicContact CB-CZ 3.93Å; D246-F264 WeakPolarHBondContact OD1-CE1 3.5Å; W249-F264 HydrophobicContact CB-CZ 3.82Å; W249-F264 HydrophobicContact CG-CZ 4.29Å; N260-F264 WeakPolarHBondContact O-CE2 3.38Å; T261-F264 WeakPolarHBondContact O-CD2 3.43Å; F264-K266 VanDerWaalsContact CB-O 3.31Å; F264-K266 WeakPolarHBondContact CB-O 3.37Å; F264-K266 PolarHBondContact O-N 3.25Å; F264-P268 HydrophobicContact CB-CG 4.44Å; F264-P268 HydrophobicContact CD1-CB 4.14Å; F264-P268 HydrophobicContact CD1-CG 4.32Å; F264-P268 HydrophobicContact CD2-CG 3.87Å; F264-P268 HydrophobicContact CE1-CB 4.38Å; F264-P268 HydrophobicContact CE2-CG 4.18Å; F264-P268 HydrophobicContact CG-CB 4.23Å; F264-P268 HydrophobicContact CG-CG 3.94Å
265	W	87.1	Confident	93.2	Very high	88 Å²	88	69.9 Å²	69.9	33%	0.333	37%	0.369	S	S	.	.	S	Bend	trans	-75.2	-17.2	-179.2	62.9	-89.1	0	0	0	113.4	M1 Y220 E222	M1-W265 HydrophobicContact CB-CB 4.18Å; M1-W265 HydrophobicContact CB-CD2 3.35Å; M1-W265 HydrophobicContact CB-CE3 3.35Å; M1-W265 HydrophobicContact CB-CG 3.71Å; M1-W265 HydrophobicContact CB-CH2 4.27Å; M1-W265 HydrophobicContact CB-CZ2 4.29Å; M1-W265 HydrophobicContact CB-CZ3 3.83Å; M1-W265 HydrophobicContact CG-CE3 4.41Å; M1-W265 WeakPolarHBondContact O-CB 3.49Å; M1-W265 PolarHBondContact O-NE1 2.84Å; M1-W265 HydrophobicContact SD-CE3 4.35Å; Y220-W265 HydrophobicContact CE2-CZ2 4.23Å; E222-W265 HydrophobicContact CB-CZ2 3.74Å; E222-W265 HydrophobicContact CG-CG 4.47Å; E222-W265 HydrophobicContact CG-CZ2 4.48Å; E222-W265 PolarHBondContact OE1-NE1 3Å
266	K	90.8	Very high	93.2	Very high	105 Å²	105	67.7 Å²	67.7	46%	0.457	36%	0.36	S	S	.	.	S	Bend	trans	-142.9	147.6	174.5	169.8	-173.2	171.1	-157.9	0	106.2	E222 F264 P268	E222-K266 HydrophobicContact CB-CB 4.25Å; E222-K266 HydrophobicContact CG-CB 4.4Å; E222-K266 WeakPolarHBondContact CG-O 3.33Å; E222-K266 PolarHBondContact O-NZ 3.27Å; F264-K266 VanDerWaalsContact CB-O 3.31Å; F264-K266 WeakPolarHBondContact CB-O 3.37Å; F264-K266 PolarHBondContact O-N 3.25Å; K266-P268 WeakPolarHBondContact O-CD 3.49Å; K266-P268 VanDerWaalsContact O-N 3.09Å
267	K	93.6	Very high	93.3	Very high	148 Å²	148	69.7 Å²	69.7	64%	0.643	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-50	118.9	175.5	-173.4	176.4	179.9	179.8	0	109.7
268	P	95.8	Very high	93.5	Very high	4 Å²	4	65.7 Å²	65.7	3%	0.026	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-72.1	165.3	177.9	32.6	-36	0	0	0	110	P221 T261 F264 K266 L270	P221-P268 HydrophobicContact CB-CB 3.81Å; P221-P268 WeakPolarHBondContact O-CA 3.06Å; T261-P268 HydrophobicContact CG2-CG 4Å; F264-P268 HydrophobicContact CB-CG 4.44Å; F264-P268 HydrophobicContact CD1-CB 4.14Å; F264-P268 HydrophobicContact CD1-CG 4.32Å; F264-P268 HydrophobicContact CD2-CG 3.87Å; F264-P268 HydrophobicContact CE1-CB 4.38Å; F264-P268 HydrophobicContact CE2-CG 4.18Å; F264-P268 HydrophobicContact CG-CB 4.23Å; F264-P268 HydrophobicContact CG-CG 3.94Å; K266-P268 WeakPolarHBondContact O-CD 3.49Å; K266-P268 VanDerWaalsContact O-N 3.09Å; P268-L270 PolarHBondContact O-N 3.27Å
269	A	94.3	Very high	93.7	Very high	10 Å²	10	56.3 Å²	56.3	8%	0.083	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.2	170.1	0	0	0	0	0	110.7	P221 V224 S226 W249	P221-A269 PolarHBondContact O-N 2.95Å; V224-A269 HydrophobicContact CG1-CB 3.4Å; V224-A269 VanDerWaalsContact CG1-CB 3.4Å; S226-A269 WeakPolarHBondContact OG-CB 3.13Å; W249-A269 HydrophobicContact CZ2-CB 3.96Å; W249-A269 PolarHBondContact NE1-O 2.75Å
270	L	94.6	Very high	93.9	Very high	83 Å²	83	56 Å²	56	44%	0.435	28%	0.282	S	S	.	.	S	Bend	trans	-94.1	-5.1	177.7	-61.3	-176.2	0	0	0	113.1	L253 I259 T261 P268	L253-L270 WeakPolarHBondContact CD2-O 3.19Å; I259-L270 HydrophobicContact CB-CD2 4.28Å; I259-L270 HydrophobicContact CD1-CB 4.25Å; I259-L270 HydrophobicContact CD1-CD2 4.09Å; I259-L270 VanDerWaalsContact CD1-O 3.27Å; I259-L270 WeakPolarHBondContact CD1-O 3.44Å; I259-L270 HydrophobicContact CG2-CD2 4.27Å; T261-L270 HydrophobicContact CG2-CD2 3.84Å; P268-L270 PolarHBondContact O-N 3.27Å
271	N	92.6	Very high	94.2	Very high	92 Å²	92	53 Å²	53	49%	0.492	27%	0.265	S	S	.	.	S	Bend	trans	-146.4	145.8	173.5	-178.8	50.7	0	0	0	108.6	S226	S226-N271 PolarHBondContact OG-O 3.47Å
272	L	92.6	Very high	94.4	Very high	19 Å²	19	50.3 Å²	50.3	10%	0.099	25%	0.249	C	C	.	.			trans	-106.6	131.6	171.1	-80.8	169.9	0	0	0	109.9	F219 V224 W249 L250 L253 Y274 I279	F219-L272 HydrophobicContact CE2-CD2 4.31Å; V224-L272 HydrophobicContact CG1-CD2 4.21Å; V224-L272 HydrophobicContact CG2-CD2 3.88Å; W249-L272 HydrophobicContact CH2-CD1 3.77Å; W249-L272 HydrophobicContact CH2-CD2 3.7Å; W249-L272 HydrophobicContact CH2-CG 3.91Å; W249-L272 HydrophobicContact CZ2-CD1 4.39Å; W249-L272 HydrophobicContact CZ2-CD2 4.23Å; W249-L272 HydrophobicContact CZ2-CG 4.22Å; W249-L272 HydrophobicContact CZ3-CD1 4.21Å; L250-L272 HydrophobicContact CD1-CD1 3.88Å; L253-L272 HydrophobicContact CD1-CD1 3.71Å; L253-L272 HydrophobicContact CD1-CG 3.82Å; L272-Y274 HydrophobicContact CD2-CD2 4.22Å; L272-Y274 PolarHBondContact O-N 2.98Å; L272-I279 HydrophobicContact CD1-CD1 4.37Å
273	I	94.7	Very high	94.7	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.077	22%	0.219	C	C	.	.	S	Bend	trans	-78.9	-10.4	174	64	-179.3	0	0	0	112.5	F225 S226 D227 P228 H230 N231	F225-I273 HydrophobicContact CB-CD1 3.8Å; S226-I273 VanDerWaalsContact C-CG2 3.46Å; S226-I273 VanDerWaalsContact O-CG2 3.25Å; S226-I273 WeakPolarHBondContact O-CG2 3.49Å; D227-I273 WeakPolarHBondContact O-CD1 3.46Å; P228-I273 HydrophobicContact CG-CG2 4.42Å; H230-I273 HydrophobicContact CB-CD1 4.21Å; N231-I273 HydrophobicContact CB-CB 4.39Å; N231-I273 HydrophobicContact CB-CD1 4.17Å; N231-I273 HydrophobicContact CB-CG1 4.48Å; N231-I273 PolarHBondContact OD1-O 3.14Å
274	Y	95.8	Very high	95.1	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.039	19%	0.194	C	C	.	.	S	Bend	trans	-96.8	142.6	-176.6	-51.7	-71.1	0	0	0	111.9	V224 V237 L272	V224-Y274 HydrophobicContact CG2-CD2 4.42Å; V224-Y274 HydrophobicContact CG2-CE2 3.82Å; V237-Y274 HydrophobicContact CB-CD1 4.47Å; V237-Y274 HydrophobicContact CB-CD2 4.3Å; V237-Y274 HydrophobicContact CB-CE2 4.5Å; V237-Y274 HydrophobicContact CB-CG 4.29Å; V237-Y274 HydrophobicContact CG1-CD1 3.48Å; V237-Y274 VanDerWaalsContact CG1-CD1 3.48Å; V237-Y274 HydrophobicContact CG1-CD2 3.83Å; V237-Y274 HydrophobicContact CG1-CE1 3.35Å; V237-Y274 HydrophobicContact CG1-CE2 3.72Å; V237-Y274 HydrophobicContact CG1-CG 3.7Å; V237-Y274 VanDerWaalsContact CG1-CZ 3.48Å; V237-Y274 HydrophobicContact CG2-CD1 4.16Å; V237-Y274 HydrophobicContact CG2-CD2 3.86Å; V237-Y274 HydrophobicContact CG2-CG 3.65Å; L272-Y274 HydrophobicContact CD2-CD2 4.22Å; L272-Y274 PolarHBondContact O-N 2.98Å
275	K	95.8	Very high	95.3	Very high	119 Å²	119	41.1 Å²	41.1	52%	0.517	19%	0.189	S	C	.	.			trans	-85.5	158.1	178.2	-58.2	-58.9	-176.7	-178.5	0	112	Y277 Q278 I279	K275-Y277 HydrophobicContact CB-CD1 3.59Å; K275-Y277 HydrophobicContact CB-CE1 3.23Å; K275-Y277 HydrophobicContact CB-CG 4.43Å; K275-Y277 HydrophobicContact CG-CD1 4.49Å; K275-Y277 HydrophobicContact CG-CE1 3.69Å; K275-Y277 PolarHBondContact O-N 3.05Å; K275-Y277 VanDerWaalsContact O-N 3.08Å; K275-Q278 WeakPolarHBondContact O-CB 3.37Å; K275-Q278 PolarHBondContact O-N 3.39Å; K275-I279 WeakPolarHBondContact O-CG1 3.22Å; K275-I279 PolarHBondContact O-N 2.92Å
276	P	96.1	Very high	95.8	Very high	32 Å²	32	37 Å²	37	21%	0.208	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.8	-179.5	-27.7	34.3	0	0	0	115.4	Q155 L254 Q278 I279	Q155-P276 HydrophobicContact CG-CB 3.96Å; Q155-P276 PolarHBondContact N-O 3.27Å; L254-P276 HydrophobicContact CD2-CG 4.09Å; P276-Q278 VanDerWaalsContact C-N 3.34Å; P276-I279 PolarHBondContact O-N 2.87Å
277	Y	94.9	Very high	96.2	Very high	111 Å²	111	32.1 Å²	32.1	44%	0.435	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.7	176.8	67.3	-98.5	0	0	0	113.6	K275 R280	K275-Y277 HydrophobicContact CB-CD1 3.59Å; K275-Y277 HydrophobicContact CB-CE1 3.23Å; K275-Y277 HydrophobicContact CB-CG 4.43Å; K275-Y277 HydrophobicContact CG-CD1 4.49Å; K275-Y277 HydrophobicContact CG-CE1 3.69Å; K275-Y277 PolarHBondContact O-N 3.05Å; K275-Y277 VanDerWaalsContact O-N 3.08Å; Y277-R280 PolarHBondContact O-NH1 3.14Å; Y277-R280 PolarHBondContact O-NH2 2.64Å
278	Q	96.8	Very high	96.3	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.5	175.9	-61.4	179.4	-90.1	0	0	112.3	D232 P233 T235 T236 V237 K275 P276	D232-Q278 PolarHBondContact O-NE2 3.43Å; P233-Q278 PolarHBondContact O-NE2 3.47Å; T235-Q278 PolarHBondContact O-NE2 2.82Å; T236-Q278 CarbonylContact C-O 3.43Å; T236-Q278 WeakPolarHBondContact CA-O 3.36Å; T236-Q278 WeakPolarHBondContact CG2-O 3.5Å; V237-Q278 PolarHBondContact N-O 3.31Å; K275-Q278 WeakPolarHBondContact O-CB 3.37Å; K275-Q278 PolarHBondContact O-N 3.39Å; P276-Q278 VanDerWaalsContact C-N 3.34Å
279	I	98	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133.5	-172	-59	165.8	0	0	0	110.1	L154 V237 L250 L254 L272 K275 P276	L154-I279 HydrophobicContact CD1-CG2 4.18Å; L154-I279 HydrophobicContact CD2-CB 3.87Å; L154-I279 HydrophobicContact CD2-CG2 3.79Å; V237-I279 HydrophobicContact CG2-CB 4.3Å; V237-I279 HydrophobicContact CG2-CG1 3.67Å; V237-I279 CarbonylContact O-C 3.59Å; V237-I279 WeakPolarHBondContact O-CA 3.31Å; L250-I279 HydrophobicContact CD1-CD1 4.18Å; L250-I279 HydrophobicContact CD2-CG2 4.29Å; L254-I279 HydrophobicContact CD2-CD1 4.32Å; L272-I279 HydrophobicContact CD1-CD1 4.37Å; K275-I279 WeakPolarHBondContact O-CG1 3.22Å; K275-I279 PolarHBondContact O-N 2.92Å; P276-I279 PolarHBondContact O-N 2.87Å
280	R	98.4	Very high	96.5	Very high	19 Å²	19	25 Å²	25	7%	0.072	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.7	168.9	-60	-66.9	177.8	-79.8	-11.5	109.4	F116 S156 C157 D158 T236 V237 I238 L239 Y277	F116-R280 HydrophobicContact CB-CB 4.3Å; F116-R280 HydrophobicContact CD1-CB 3.97Å; F116-R280 HydrophobicContact CD2-CB 4.02Å; F116-R280 HydrophobicContact CD2-CG 3.76Å; F116-R280 HydrophobicContact CE1-CB 4.35Å; F116-R280 HydrophobicContact CE2-CB 4.34Å; F116-R280 HydrophobicContact CE2-CG 3.99Å; F116-R280 HydrophobicContact CG-CB 3.84Å; F116-R280 HydrophobicContact CG-CG 4.09Å; S156-R280 VanDerWaalsContact CB-CZ 3.48Å; S156-R280 WeakPolarHBondContact O-CD 3.38Å; S156-R280 PolarHBondContact O-NE 3.49Å; S156-R280 PolarHBondContact O-NH1 3.12Å; S156-R280 PolarHBondContact OG-NH2 3.16Å; C157-R280 VanDerWaalsContact CA-CD 3.44Å; D158-R280 PolarHBondContact O-NE 3.47Å; T236-R280 HydrophobicContact CG2-CB 4.49Å; T236-R280 HydrophobicContact CG2-CG 3.55Å; V237-R280 PolarHBondContact O-N 3.24Å; I238-R280 CarbonylContact C-O 3.55Å; I238-R280 WeakPolarHBondContact CA-O 3.42Å; I238-R280 HydrophobicContact CG1-CB 4.48Å; L239-R280 PolarHBondContact N-O 3.11Å; Y277-R280 PolarHBondContact O-NH1 3.14Å; Y277-R280 PolarHBondContact O-NH2 2.64Å
281	I	98.6	Very high	96.6	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.5	170.4	-59.1	-178.6	0	0	0	108.1	F116 L117 F147 A150 L151 L154 L239 L247 L250	F116-I281 WeakPolarHBondContact CA-O 3.18Å; L117-I281 HydrophobicContact CD1-CG2 4.34Å; L117-I281 PolarHBondContact N-O 3.31Å; F147-I281 HydrophobicContact CD1-CG2 3.92Å; F147-I281 HydrophobicContact CE1-CG2 3.61Å; A150-I281 HydrophobicContact CB-CD1 3.83Å; L151-I281 HydrophobicContact CD2-CB 4.2Å; L151-I281 HydrophobicContact CD2-CD1 3.84Å; L151-I281 HydrophobicContact CD2-CG1 4.22Å; L151-I281 HydrophobicContact CG-CD1 4.06Å; L154-I281 HydrophobicContact CD1-CD1 4.02Å; L154-I281 HydrophobicContact CD1-CG1 3.76Å; L239-I281 HydrophobicContact CB-CG1 4.49Å; L239-I281 HydrophobicContact CD2-CG1 4.41Å; L247-I281 HydrophobicContact CD2-CD1 3.99Å; L247-I281 HydrophobicContact CD2-CG2 4.32Å; L250-I281 HydrophobicContact CD2-CD1 4.11Å; L250-I281 HydrophobicContact CD2-CG1 4.38Å
282	L	98.6	Very high	96.7	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-67.4	134.9	178	-168.8	67.6	0	0	0	110.4	P115 F116 I238 L239 T240 P284 I286 I287 I315 L319	P115-L282 HydrophobicContact CB-CD1 4.38Å; F116-L282 HydrophobicContact CD1-CD1 4.42Å; F116-L282 HydrophobicContact CE1-CD1 4.22Å; I238-L282 HydrophobicContact CG2-CB 3.74Å; I238-L282 HydrophobicContact CG2-CD1 4.04Å; I238-L282 HydrophobicContact CG2-CG 4.36Å; L239-L282 PolarHBondContact O-N 3.08Å; T240-L282 HydrophobicContact CG2-CD2 4.23Å; L282-P284 WeakPolarHBondContact O-CD 3.48Å; L282-I286 HydrophobicContact CD1-CB 4.19Å; L282-I286 HydrophobicContact CD1-CG1 3.96Å; L282-I286 HydrophobicContact CD1-CG2 4.34Å; L282-I286 HydrophobicContact CD2-CB 4.13Å; L282-I286 HydrophobicContact CD2-CG2 4.08Å; L282-I286 HydrophobicContact CG-CB 4.15Å; L282-I286 HydrophobicContact CG-CG1 4.34Å; L282-I287 HydrophobicContact CD2-CG1 4.19Å; L282-I315 HydrophobicContact CD2-CG2 3.65Å; L282-L319 HydrophobicContact CD1-CD1 4.12Å
283	D	97.8	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.089	C	C	.	.			trans	-64.6	124.9	168.6	-169.2	-38.6	0	0	0	109.5	F113 P115 L117 S131 F285 I286	F113-D283 HydrophobicContact CE1-CB 4.46Å; F113-D283 HydrophobicContact CZ-CB 3.81Å; P115-D283 PolarHBondContact O-N 3.2Å; L117-D283 HydrophobicContact CD2-CB 3.7Å; L117-D283 WeakPolarHBondContact CD2-OD2 3.45Å; L117-D283 HydrophobicContact CG-CB 4.15Å; S131-D283 PolarHBondContact OG-OD1 3.04Å; D283-F285 HydrophobicContact CB-CB 4.41Å; D283-F285 PolarHBondContact O-N 3.31Å; D283-F285 VanDerWaalsContact OD1-CB 3.23Å; D283-F285 WeakPolarHBondContact OD1-CB 3.25Å; D283-F285 PolarHBondContact OD1-N 3.32Å; D283-I286 PolarHBondContact O-N 2.86Å
284	P	97.8	Very high	96.8	Very high	2 Å²	2	20 Å²	20	1%	0.013	9%	0.088	C	C	.	.	H	α-helix	trans	-52.1	-20.2	175.1	-30.2	37.8	0	0	0	115	L136 P137 M140 F147 L282 I286 I287 R288	L136-P284 HydrophobicContact CD2-CG 4.31Å; P137-P284 WeakPolarHBondContact O-CB 3.27Å; M140-P284 HydrophobicContact CE-CG 4.41Å; F147-P284 HydrophobicContact CE1-CG 4.38Å; F147-P284 HydrophobicContact CE2-CG 4.34Å; F147-P284 HydrophobicContact CZ-CG 3.65Å; L282-P284 WeakPolarHBondContact O-CD 3.48Å; P284-I286 PolarHBondContact O-N 3.3Å; P284-I287 PolarHBondContact O-N 3.16Å; P284-I287 VanDerWaalsContact O-N 3.13Å; P284-R288 PolarHBondContact O-N 2.98Å
285	F	97.1	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-49.2	-42.6	170.5	180	-100.7	0	0	0	112.4	F110 F113 D283 I287 R288 T289 Y322	F110-F285 HydrophobicContact CD2-CE1 4.17Å; F110-F285 HydrophobicContact CD2-CE2 4.01Å; F110-F285 AromaticContact CD2-CZ 3.49Å; F110-F285 HydrophobicContact CD2-CZ 3.49Å; F110-F285 VanDerWaalsContact CD2-CZ 3.49Å; F110-F285 AromaticContact CE2-CE2 3.8Å; F110-F285 HydrophobicContact CE2-CE2 3.8Å; F110-F285 AromaticContact CE2-CZ 3.76Å; F110-F285 HydrophobicContact CE2-CZ 3.76Å; F113-F285 HydrophobicContact CD1-CD1 4.11Å; F113-F285 HydrophobicContact CD1-CE1 4.45Å; F113-F285 AromaticContact CD2-CD1 3.94Å; F113-F285 HydrophobicContact CD2-CD1 3.94Å; F113-F285 HydrophobicContact CD2-CE1 4.15Å; F113-F285 AromaticContact CE1-CD1 3.65Å; F113-F285 HydrophobicContact CE1-CD1 3.65Å; F113-F285 HydrophobicContact CE1-CE1 4.42Å; F113-F285 HydrophobicContact CE1-CG 4.48Å; F113-F285 HydrophobicContact CE2-CB 4.07Å; F113-F285 AromaticContact CE2-CD1 3.5Å; F113-F285 HydrophobicContact CE2-CD1 3.5Å; F113-F285 VanDerWaalsContact CE2-CD1 3.5Å; F113-F285 HydrophobicContact CE2-CE1 4.16Å; F113-F285 AromaticContact CE2-CG 3.85Å; F113-F285 HydrophobicContact CE2-CG 3.85Å; F113-F285 HydrophobicContact CG-CD1 4.25Å; F113-F285 HydrophobicContact CG-CE1 4.33Å; F113-F285 HydrophobicContact CZ-CB 3.69Å; F113-F285 AromaticContact CZ-CD1 3.36Å; F113-F285 HydrophobicContact CZ-CD1 3.36Å; F113-F285 HydrophobicContact CZ-CE1 4.31Å; F113-F285 AromaticContact CZ-CG 3.79Å; F113-F285 HydrophobicContact CZ-CG 3.79Å; D283-F285 HydrophobicContact CB-CB 4.41Å; D283-F285 PolarHBondContact O-N 3.31Å; D283-F285 VanDerWaalsContact OD1-CB 3.23Å; D283-F285 WeakPolarHBondContact OD1-CB 3.25Å; D283-F285 PolarHBondContact OD1-N 3.32Å; F285-I287 PolarHBondContact O-N 2.89Å; F285-R288 VanDerWaalsContact CD2-NH2 3.27Å; F285-R288 WeakPolarHBondContact O-CB 3.48Å; F285-R288 PolarHBondContact O-N 3.29Å; F285-T289 PolarHBondContact O-N 2.86Å; F285-T289 PolarHBondContact O-OG1 2.63Å; F285-T289 VanDerWaalsContact O-OG1 3.13Å; F285-Y322 HydrophobicContact CE1-CE1 4.14Å; F285-Y322 HydrophobicContact CE1-CE2 4.25Å; F285-Y322 AromaticContact CE1-CZ 3.64Å; F285-Y322 VanDerWaalsContact CE1-OH 3.27Å; F285-Y322 WeakPolarHBondContact CE1-OH 3.38Å
286	I	97.9	Very high	96.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-44.4	179.4	-63.1	-62.8	0	0	0	111.2	F113 P115 L282 D283 P284 R288 T289 A290 I315 T318 L319 Y322	F113-I286 HydrophobicContact CD1-CD1 3.94Å; F113-I286 HydrophobicContact CE1-CD1 3.52Å; F113-I286 HydrophobicContact CE1-CG1 3.85Å; P115-I286 HydrophobicContact CB-CD1 4.31Å; P115-I286 HydrophobicContact CB-CG1 4.21Å; L282-I286 HydrophobicContact CD1-CB 4.19Å; L282-I286 HydrophobicContact CD1-CG1 3.96Å; L282-I286 HydrophobicContact CD1-CG2 4.34Å; L282-I286 HydrophobicContact CD2-CB 4.13Å; L282-I286 HydrophobicContact CD2-CG2 4.08Å; L282-I286 HydrophobicContact CG-CB 4.15Å; L282-I286 HydrophobicContact CG-CG1 4.34Å; D283-I286 PolarHBondContact O-N 2.86Å; P284-I286 PolarHBondContact O-N 3.3Å; I286-R288 VanDerWaalsContact C-N 3.29Å; I286-R288 PolarHBondContact O-N 2.92Å; I286-T289 PolarHBondContact O-N 3.17Å; I286-A290 PolarHBondContact O-N 2.83Å; I286-I315 HydrophobicContact CG2-CG2 4.15Å; I286-T318 HydrophobicContact CG2-CG2 3.97Å; I286-L319 HydrophobicContact CG2-CB 4.32Å; I286-Y322 HydrophobicContact CD1-CD2 3.31Å; I286-Y322 HydrophobicContact CD1-CE2 3.71Å; I286-Y322 HydrophobicContact CD1-CG 4Å
287	I	97.8	Very high	96.7	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-66	-38.2	178.6	-52.2	175.7	0	0	0	110.2	P137 Y138 T240 F242 L282 P284 F285 A290 A291 I315	P137-I287 HydrophobicContact CB-CD1 4.3Å; P137-I287 HydrophobicContact CB-CG2 4.19Å; P137-I287 HydrophobicContact CG-CG2 4.44Å; P137-I287 WeakPolarHBondContact O-CB 3.12Å; Y138-I287 HydrophobicContact CD1-CG2 4.11Å; Y138-I287 HydrophobicContact CE1-CG2 4.09Å; T240-I287 HydrophobicContact CG2-CD1 3.56Å; T240-I287 HydrophobicContact CG2-CG1 4.16Å; F242-I287 HydrophobicContact CD1-CD1 4.28Å; F242-I287 HydrophobicContact CE1-CD1 4.21Å; L282-I287 HydrophobicContact CD2-CG1 4.19Å; P284-I287 PolarHBondContact O-N 3.16Å; P284-I287 VanDerWaalsContact O-N 3.13Å; F285-I287 PolarHBondContact O-N 2.89Å; I287-A290 WeakPolarHBondContact O-CB 3.44Å; I287-A290 PolarHBondContact O-N 2.91Å; I287-A291 WeakPolarHBondContact O-CB 3.42Å; I287-A291 PolarHBondContact O-N 3.35Å; I287-I315 HydrophobicContact CG1-CD1 4.16Å; I287-I315 HydrophobicContact CG1-CG1 4.46Å; I287-I315 HydrophobicContact CG1-CG2 4.18Å; I287-I315 HydrophobicContact CG2-CD1 4.03Å; I287-I315 HydrophobicContact CG2-CG1 4.42Å
288	R	96.6	Very high	96.5	Very high	9 Å²	9	18.4 Å²	18.4	3%	0.034	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-47	176.1	-171.1	174.3	63.8	-156.9	12.2	111.9	Y129 G130 Y138 P284 F285 I286 A290 A291 Y292 E293	Y129-R288 PolarHBondContact O-NH2 2.91Å; G130-R288 PolarHBondContact O-NH1 3.12Å; Y138-R288 HydrophobicContact CD1-CB 4.26Å; Y138-R288 WeakPolarHBondContact O-CD 3.44Å; Y138-R288 PolarHBondContact O-NH1 3.16Å; P284-R288 PolarHBondContact O-N 2.98Å; F285-R288 VanDerWaalsContact CD2-NH2 3.27Å; F285-R288 WeakPolarHBondContact O-CB 3.48Å; F285-R288 PolarHBondContact O-N 3.29Å; I286-R288 VanDerWaalsContact C-N 3.29Å; I286-R288 PolarHBondContact O-N 2.92Å; R288-A290 VanDerWaalsContact C-N 3.32Å; R288-A290 PolarHBondContact O-N 3.13Å; R288-A291 PolarHBondContact O-N 3.47Å; R288-Y292 HydrophobicContact CG-CD2 3.47Å; R288-Y292 VanDerWaalsContact CG-CD2 3.47Å; R288-Y292 HydrophobicContact CG-CE2 3.73Å; R288-Y292 PolarHBondContact O-N 3.42Å; R288-E293 VanDerWaalsContact O-OE2 3.07Å
289	T	96.8	Very high	96.1	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	12%	0.12	C	C	.	.	I	π-helix	trans	-55.2	-47.3	174.1	-62.2	0	0	0	0	111.4	F285 I286 A291 E293 L294 T318 Y322	F285-T289 PolarHBondContact O-N 2.86Å; F285-T289 PolarHBondContact O-OG1 2.63Å; F285-T289 VanDerWaalsContact O-OG1 3.13Å; I286-T289 PolarHBondContact O-N 3.17Å; T289-A291 VanDerWaalsContact C-N 3.28Å; T289-A291 PolarHBondContact O-N 3.1Å; T289-E293 WeakPolarHBondContact CA-OE2 3.29Å; T289-E293 HydrophobicContact CG2-CB 4.13Å; T289-E293 WeakPolarHBondContact O-CB 3.35Å; T289-E293 PolarHBondContact O-N 3.46Å; T289-E293 VanDerWaalsContact O-N 3.16Å; T289-L294 HydrophobicContact CG2-CG 4.38Å; T289-L294 PolarHBondContact O-N 3.27Å; T289-T318 HydrophobicContact CG2-CG2 3.76Å; T289-Y322 HydrophobicContact CG2-CE2 4.2Å
290	A	97.5	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-56	-43.7	175.1	0	0	0	0	0	112	I286 I287 R288 L295 P310 I314 I315 T318	I286-A290 PolarHBondContact O-N 2.83Å; I287-A290 WeakPolarHBondContact O-CB 3.44Å; I287-A290 PolarHBondContact O-N 2.91Å; R288-A290 VanDerWaalsContact C-N 3.32Å; R288-A290 PolarHBondContact O-N 3.13Å; A290-L295 WeakPolarHBondContact O-CB 3.45Å; A290-L295 VanDerWaalsContact O-CG 3.24Å; A290-L295 WeakPolarHBondContact O-CG 3.39Å; A290-L295 PolarHBondContact O-N 3.21Å; A290-L295 VanDerWaalsContact O-N 3.08Å; A290-P310 HydrophobicContact CB-CB 3.92Å; A290-P310 HydrophobicContact CB-CG 3.76Å; A290-I314 HydrophobicContact CB-CG2 4.08Å; A290-I315 HydrophobicContact CB-CG1 4.36Å; A290-T318 HydrophobicContact CB-CG2 4.5Å; A290-T318 WeakPolarHBondContact CB-OG1 3.27Å
291	A	96.5	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-74.9	-51.2	-175.2	0	0	0	0	0	114.1	Y138 I287 R288 T289 H296 F297 P310	Y138-A291 HydrophobicContact CD1-CB 4.23Å; Y138-A291 HydrophobicContact CE1-CB 3.51Å; I287-A291 WeakPolarHBondContact O-CB 3.42Å; I287-A291 PolarHBondContact O-N 3.35Å; R288-A291 PolarHBondContact O-N 3.47Å; T289-A291 VanDerWaalsContact C-N 3.28Å; T289-A291 PolarHBondContact O-N 3.1Å; A291-H296 PolarHBondContact O-N 2.84Å; A291-F297 HydrophobicContact CB-CD2 4.46Å; A291-F297 WeakPolarHBondContact O-CB 3.38Å; A291-F297 PolarHBondContact O-N 2.82Å; A291-P310 HydrophobicContact CB-CG 3.66Å
292	Y	95.1	Very high	94.3	Very high	31 Å²	31	35.1 Å²	35.1	12%	0.122	18%	0.18	C	C	.	.	I	π-helix	trans	-99.2	-38.4	-167.3	-56.9	-34	0	0	0	112.9	F134 Y138 R288 H296 F297 K299	F134-Y292 HydrophobicContact CD1-CE2 4.47Å; F134-Y292 HydrophobicContact CE1-CE2 4.15Å; Y138-Y292 HydrophobicContact CD2-CE2 4.4Å; Y138-Y292 AromaticContact CD2-CZ 3.94Å; Y138-Y292 VanDerWaalsContact CD2-OH 3.22Å; Y138-Y292 WeakPolarHBondContact CD2-OH 3.42Å; Y138-Y292 VanDerWaalsContact CE2-OH 3.31Å; Y138-Y292 WeakPolarHBondContact CE2-OH 3.25Å; Y138-Y292 HydrophobicContact CG-CE2 4.34Å; R288-Y292 HydrophobicContact CG-CD2 3.47Å; R288-Y292 VanDerWaalsContact CG-CD2 3.47Å; R288-Y292 HydrophobicContact CG-CE2 3.73Å; R288-Y292 PolarHBondContact O-N 3.42Å; Y292-H296 WeakPolarHBondContact O-CA 3.39Å; Y292-H296 PolarHBondContact O-ND1 2.89Å; Y292-H296 VanDerWaalsContact O-ND1 3.15Å; Y292-F297 WeakPolarHBondContact CD1-O 3.43Å; Y292-K299 HydrophobicContact CD1-CG 4.17Å; Y292-K299 HydrophobicContact CD2-CG 4.48Å; Y292-K299 HydrophobicContact CE1-CB 4.45Å; Y292-K299 HydrophobicContact CE1-CG 3.87Å; Y292-K299 HydrophobicContact CE2-CG 4.2Å; Y292-K299 HydrophobicContact CG-CG 4.47Å
293	E	94.1	Very high	93.6	Very high	63 Å²	63	45.6 Å²	45.6	29%	0.294	23%	0.225	S	C	.	.	I	π-helix	trans	-86.6	-38	-176.4	-69.9	77.7	176.2	0	0	112.1	R288 T289 H296	R288-E293 VanDerWaalsContact O-OE2 3.07Å; T289-E293 WeakPolarHBondContact CA-OE2 3.29Å; T289-E293 HydrophobicContact CG2-CB 4.13Å; T289-E293 WeakPolarHBondContact O-CB 3.35Å; T289-E293 PolarHBondContact O-N 3.46Å; T289-E293 VanDerWaalsContact O-N 3.16Å; E293-H296 PolarHBondContact O-CE1 3.33Å; E293-H296 PolarHBondContact O-ND1 2.77Å
294	L	95.9	Very high	93	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.052	26%	0.261	C	S	.	.	I	π-helix	trans	-94.5	-50.2	-179	-57.3	-174.8	0	0	0	113.3	L107 T289 T318 F321 F368	L107-L294 HydrophobicContact CB-CD2 4.07Å; L107-L294 HydrophobicContact CD1-CD2 4.31Å; T289-L294 HydrophobicContact CG2-CG 4.38Å; T289-L294 PolarHBondContact O-N 3.27Å; L294-T318 HydrophobicContact CD1-CG2 4.11Å; L294-T318 VanDerWaalsContact CD1-OG1 3.28Å; L294-T318 WeakPolarHBondContact CD1-OG1 3.47Å; L294-F321 HydrophobicContact CD1-CD2 4.44Å; L294-F321 HydrophobicContact CD1-CE2 4.33Å; L294-F368 HydrophobicContact CB-CD2 4.35Å; L294-F368 HydrophobicContact CB-CE2 3.82Å; L294-F368 HydrophobicContact CB-CZ 3.97Å; L294-F368 HydrophobicContact CD1-CE2 4.47Å; L294-F368 HydrophobicContact CD1-CZ 3.9Å; L294-F368 HydrophobicContact CD2-CE2 4.17Å; L294-F368 HydrophobicContact CD2-CZ 4.31Å; L294-F368 HydrophobicContact CG-CE2 4.37Å; L294-F368 HydrophobicContact CG-CZ 4.28Å
295	L	96.4	Very high	92.3	Very high	14 Å²	14	57.4 Å²	57.4	7%	0.073	29%	0.285	C	S	.	.	S	Bend	trans	-92.7	-7.5	-176.7	-64.1	176.9	0	0	0	114	A290 F297 P310 I314 E365 F368	A290-L295 WeakPolarHBondContact O-CB 3.45Å; A290-L295 VanDerWaalsContact O-CG 3.24Å; A290-L295 WeakPolarHBondContact O-CG 3.39Å; A290-L295 PolarHBondContact O-N 3.21Å; A290-L295 VanDerWaalsContact O-N 3.08Å; L295-F297 HydrophobicContact CB-CD1 3.83Å; L295-F297 HydrophobicContact CB-CD2 4.47Å; L295-F297 HydrophobicContact CB-CE1 3.69Å; L295-F297 HydrophobicContact CB-CE2 4.32Å; L295-F297 HydrophobicContact CB-CG 4.24Å; L295-F297 HydrophobicContact CB-CZ 3.95Å; L295-F297 HydrophobicContact CD1-CE1 4.16Å; L295-F297 HydrophobicContact CD1-CE2 3.76Å; L295-F297 HydrophobicContact CD1-CZ 3.56Å; L295-F297 HydrophobicContact CG-CE1 4.47Å; L295-F297 HydrophobicContact CG-CZ 4.33Å; L295-F297 WeakPolarHBondContact O-CD1 3.21Å; L295-F297 PolarHBondContact O-N 3.04Å; L295-F297 VanDerWaalsContact O-N 3.16Å; L295-P310 HydrophobicContact CD1-CB 3.83Å; L295-P310 HydrophobicContact CD1-CG 4.03Å; L295-I314 HydrophobicContact CD1-CB 4.42Å; L295-I314 HydrophobicContact CD1-CG1 4.38Å; L295-I314 HydrophobicContact CD1-CG2 4.01Å; L295-I314 HydrophobicContact CD2-CG2 4.41Å; L295-I314 HydrophobicContact CG-CG2 4.15Å; L295-E365 HydrophobicContact CD1-CG 3.86Å; L295-E365 HydrophobicContact CD2-CB 4.38Å; L295-E365 HydrophobicContact CD2-CG 3.92Å; L295-F368 HydrophobicContact CD2-CB 3.74Å; L295-F368 HydrophobicContact CD2-CD1 4.14Å; L295-F368 HydrophobicContact CD2-CG 3.99Å
296	H	94.6	Very high	91.6	Very high	146 Å²	146	62.1 Å²	62.1	68%	0.676	31%	0.305	S	S	*	.			trans	51.1	37.3	-179.5	-55	-49.3	0	0	0	114.4	A291 Y292 E293	A291-H296 PolarHBondContact O-N 2.84Å; Y292-H296 WeakPolarHBondContact O-CA 3.39Å; Y292-H296 PolarHBondContact O-ND1 2.89Å; Y292-H296 VanDerWaalsContact O-ND1 3.15Å; E293-H296 PolarHBondContact O-CE1 3.33Å; E293-H296 PolarHBondContact O-ND1 2.77Å
297	F	93.9	Very high	91.1	Very high	14 Å²	14	64.8 Å²	64.8	6%	0.061	32%	0.323	C	S	.	.			trans	-65.2	145.6	175.7	-70.6	-9.1	0	0	0	111.4	A291 Y292 L295 F301 K308 P310 N361 A364	A291-F297 HydrophobicContact CB-CD2 4.46Å; A291-F297 WeakPolarHBondContact O-CB 3.38Å; A291-F297 PolarHBondContact O-N 2.82Å; Y292-F297 WeakPolarHBondContact CD1-O 3.43Å; L295-F297 HydrophobicContact CB-CD1 3.83Å; L295-F297 HydrophobicContact CB-CD2 4.47Å; L295-F297 HydrophobicContact CB-CE1 3.69Å; L295-F297 HydrophobicContact CB-CE2 4.32Å; L295-F297 HydrophobicContact CB-CG 4.24Å; L295-F297 HydrophobicContact CB-CZ 3.95Å; L295-F297 HydrophobicContact CD1-CE1 4.16Å; L295-F297 HydrophobicContact CD1-CE2 3.76Å; L295-F297 HydrophobicContact CD1-CZ 3.56Å; L295-F297 HydrophobicContact CG-CE1 4.47Å; L295-F297 HydrophobicContact CG-CZ 4.33Å; L295-F297 WeakPolarHBondContact O-CD1 3.21Å; L295-F297 PolarHBondContact O-N 3.04Å; L295-F297 VanDerWaalsContact O-N 3.16Å; F297-F301 HydrophobicContact CB-CZ 4.49Å; F297-K308 HydrophobicContact CD2-CB 4.17Å; F297-K308 HydrophobicContact CE2-CB 4.09Å; F297-K308 HydrophobicContact CZ-CB 4.43Å; F297-P310 HydrophobicContact CE2-CG 4.43Å; F297-N361 HydrophobicContact CE1-CB 3.98Å; F297-N361 HydrophobicContact CZ-CB 3.93Å; F297-A364 HydrophobicContact CE1-CB 3.96Å
298	P	90.9	Very high	90.7	Very high	66 Å²	66	67.2 Å²	67.2	43%	0.429	33%	0.333	S	S	.	.			trans	-65.9	143.5	175.9	29.1	-34.5	0	0	0	110.1	V300 F301	P298-V300 VanDerWaalsContact C-N 3.29Å; P298-F301 HydrophobicContact CG-CD1 3.98Å; P298-F301 HydrophobicContact CG-CE1 3.51Å; P298-F301 HydrophobicContact CG-CE2 4.1Å; P298-F301 HydrophobicContact CG-CG 4.45Å; P298-F301 HydrophobicContact CG-CZ 3.57Å; P298-F301 WeakPolarHBondContact O-CE2 3.46Å
299	K	88.8	Confident	90.5	Very high	146 Å²	146	67.6 Å²	67.6	64%	0.635	34%	0.335	S	S	*	.	S	Bend	trans	-72.3	-26.7	177.2	-64	-178.7	-178.1	174.3	0	112.4	Y292	Y292-K299 HydrophobicContact CD1-CG 4.17Å; Y292-K299 HydrophobicContact CD2-CG 4.48Å; Y292-K299 HydrophobicContact CE1-CB 4.45Å; Y292-K299 HydrophobicContact CE1-CG 3.87Å; Y292-K299 HydrophobicContact CE2-CG 4.2Å; Y292-K299 HydrophobicContact CG-CG 4.47Å
300	V	85.9	Confident	90.4	Very high	123 Å²	123	67.6 Å²	67.6	75%	0.745	34%	0.335	S	S	*	.	S	Bend	trans	-125.9	127.2	179.7	-176.8	0	0	0	0	108	P298	P298-V300 VanDerWaalsContact C-N 3.29Å
301	F	83.3	Confident	90.4	Very high	41 Å²	41	69.1 Å²	69.1	18%	0.18	35%	0.345	C	S	.	.			trans	-100.8	146.1	174.6	-70.8	-94.8	0	0	0	110	F297 P298 P307 K308	F297-F301 HydrophobicContact CB-CZ 4.49Å; P298-F301 HydrophobicContact CG-CD1 3.98Å; P298-F301 HydrophobicContact CG-CE1 3.51Å; P298-F301 HydrophobicContact CG-CE2 4.1Å; P298-F301 HydrophobicContact CG-CG 4.45Å; P298-F301 HydrophobicContact CG-CZ 3.57Å; P298-F301 WeakPolarHBondContact O-CE2 3.46Å; F301-P307 HydrophobicContact CB-CG 4.47Å; F301-P307 HydrophobicContact CD2-CB 3.75Å; F301-P307 HydrophobicContact CD2-CG 4.35Å; F301-P307 HydrophobicContact CE2-CB 4.09Å; F301-P307 HydrophobicContact CG-CB 4.2Å; F301-K308 HydrophobicContact CE1-CB 3.81Å; F301-K308 HydrophobicContact CE1-CG 3.68Å; F301-K308 HydrophobicContact CZ-CB 3.69Å; F301-K308 HydrophobicContact CZ-CG 4.11Å
302	P	86.6	Confident	90.4	Very high	64 Å²	64	69.6 Å²	69.6	42%	0.416	35%	0.348	S	S	.	.			trans	-54	144.2	170.8	-26.9	36.1	0	0	0	111.9	N304 Q305	P302-N304 WeakPolarHBondContact CB-OD1 3.23Å; P302-N304 PolarHBondContact O-N 2.95Å; P302-Q305 HydrophobicContact CB-CB 4.41Å; P302-Q305 HydrophobicContact CB-CG 4.27Å; P302-Q305 HydrophobicContact CG-CG 4.46Å; P302-Q305 PolarHBondContact O-N 3.26Å
303	K	83.7	Confident	90.6	Very high	222 Å²	222	68.4 Å²	68.4	97%	0.965	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.2	-178	-69.7	-175.2	178.6	179.9	0	113.9
304	N	86	Confident	90.8	Very high	140 Å²	140	65.4 Å²	65.4	75%	0.749	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-3.5	178.6	64.3	-21.4	0	0	0	113.7	P302	P302-N304 WeakPolarHBondContact CB-OD1 3.23Å; P302-N304 PolarHBondContact O-N 2.95Å
305	Q	82.8	Confident	90.9	Very high	111 Å²	111	64.9 Å²	64.9	52%	0.519	33%	0.328	S	S	.	.	S	Bend	trans	-113.2	144.9	179.1	-65.9	-174.2	15.4	0	0	111	P302	P302-Q305 HydrophobicContact CB-CB 4.41Å; P302-Q305 HydrophobicContact CB-CG 4.27Å; P302-Q305 HydrophobicContact CG-CG 4.46Å; P302-Q305 PolarHBondContact O-N 3.26Å
306	K	83	Confident	91	Very high	98 Å²	98	64.2 Å²	64.2	43%	0.426	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-75.3	131.7	172.2	-71.1	177.2	171.3	-160.2	0	109.1	K308 A358 Y359	K306-K308 PolarHBondContact O-N 3.12Å; K306-A358 HydrophobicContact CD-CB 3.75Å; K306-Y359 HydrophobicContact CB-CD1 4.19Å; K306-Y359 HydrophobicContact CB-CE1 3.92Å; K306-Y359 HydrophobicContact CD-CE1 3.84Å; K306-Y359 HydrophobicContact CD-CE2 4.01Å; K306-Y359 WeakPolarHBondContact CE-OH 3.33Å; K306-Y359 HydrophobicContact CG-CE1 4.06Å; K306-Y359 PolarHBondContact NZ-OH 2.8Å; K306-Y359 VanDerWaalsContact NZ-OH 3.09Å
307	P	86.1	Confident	91.2	Very high	57 Å²	57	57.3 Å²	57.3	37%	0.37	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-53.6	139.7	171.9	-26.4	34.8	0	0	0	111.5	F301	F301-P307 HydrophobicContact CB-CG 4.47Å; F301-P307 HydrophobicContact CD2-CB 3.75Å; F301-P307 HydrophobicContact CD2-CG 4.35Å; F301-P307 HydrophobicContact CE2-CB 4.09Å; F301-P307 HydrophobicContact CG-CB 4.2Å
308	K	89.9	Confident	91.4	Very high	53 Å²	53	56.6 Å²	56.6	23%	0.23	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-95.9	135.3	174.8	-56.8	-61.3	-169	164.8	0	109.6	Y138 F297 F301 K306 A358 Y359 H360 N361	Y138-K308 PolarHBondContact OH-O 2.94Å; F297-K308 HydrophobicContact CD2-CB 4.17Å; F297-K308 HydrophobicContact CE2-CB 4.09Å; F297-K308 HydrophobicContact CZ-CB 4.43Å; F301-K308 HydrophobicContact CE1-CB 3.81Å; F301-K308 HydrophobicContact CE1-CG 3.68Å; F301-K308 HydrophobicContact CZ-CB 3.69Å; F301-K308 HydrophobicContact CZ-CG 4.11Å; K306-K308 PolarHBondContact O-N 3.12Å; K308-A358 WeakPolarHBondContact CD-O 3.43Å; K308-A358 WeakPolarHBondContact CE-O 3.35Å; K308-A358 PolarHBondContact NZ-O 2.84Å; K308-Y359 VanDerWaalsContact CA-O 3.32Å; K308-Y359 WeakPolarHBondContact CA-O 3.24Å; K308-H360 PolarHBondContact NZ-O 3.44Å; K308-H360 VanDerWaalsContact NZ-O 3.11Å; K308-N361 HydrophobicContact CG-CB 4.42Å
309	H	91.9	Very high	91.8	Very high	17 Å²	17	53.5 Å²	53.5	8%	0.079	27%	0.269	C	S	.	.			trans	-125.2	149.4	177.7	-61.5	-76.3	0	0	0	109.6	Y138 Y359 H360	Y138-H309 AromaticContact CZ-ND1 3.52Å; Y138-H309 PolarHBondContact OH-CE1 3.49Å; Y138-H309 PolarHBondContact OH-ND1 3.29Å; H309-Y359 PolarHBondContact N-O 3.18Å; H309-H360 PolarHBondContact O-ND1 2.81Å
310	P	96.2	Very high	92.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.019	24%	0.239	C	C	.	.			trans	-59.9	145.7	173.2	-20.5	31.4	0	0	0	111.1	A290 A291 L295 F297 I314 I315	A290-P310 HydrophobicContact CB-CB 3.92Å; A290-P310 HydrophobicContact CB-CG 3.76Å; A291-P310 HydrophobicContact CB-CG 3.66Å; L295-P310 HydrophobicContact CD1-CB 3.83Å; L295-P310 HydrophobicContact CD1-CG 4.03Å; F297-P310 HydrophobicContact CE2-CG 4.43Å; P310-I314 HydrophobicContact CB-CB 4.32Å; P310-I315 HydrophobicContact CB-CG1 4.06Å
311	T	96.3	Very high	92.8	Very high	32 Å²	32	40.8 Å²	40.8	20%	0.196	20%	0.204	C	C	.	.			trans	-65.9	158.2	166.8	62	0	0	0	0	111.4	G313 I314 I315 H360 E365	T311-G313 PolarHBondContact O-N 3.28Å; T311-G313 PolarHBondContact OG1-N 3.32Å; T311-I314 PolarHBondContact O-N 3.36Å; T311-I314 VanDerWaalsContact O-N 3.11Å; T311-I314 PolarHBondContact OG1-N 2.73Å; T311-I315 WeakPolarHBondContact O-CG1 3.47Å; T311-I315 PolarHBondContact O-N 2.75Å; T311-I315 VanDerWaalsContact O-N 3.08Å; T311-H360 HydrophobicContact CG2-CB 4.07Å; T311-E365 WeakPolarHBondContact CB-OE2 3.48Å; T311-E365 WeakPolarHBondContact CG2-OE1 3.44Å; T311-E365 WeakPolarHBondContact CG2-OE2 3.31Å; T311-E365 PolarHBondContact N-OE1 3.5Å; T311-E365 PolarHBondContact OG1-OE2 2.95Å
312	T	97.7	Very high	93.3	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-53.2	-28.5	170.1	-41	0	0	0	0	111.9	M198 N199 L218 I315 A316	M198-T312 HydrophobicContact CB-CG2 3.78Å; N199-T312 PolarHBondContact OD1-OG1 2.98Å; L218-T312 HydrophobicContact CB-CG2 3.67Å; L218-T312 HydrophobicContact CD2-CG2 4.15Å; T312-I315 PolarHBondContact O-N 3.37Å; T312-A316 VanDerWaalsContact O-CB 3.3Å; T312-A316 WeakPolarHBondContact O-CB 2.75Å; T312-A316 PolarHBondContact O-N 3.46Å
313	G	98.1	Very high	93.7	Very high	6 Å²	6	37.9 Å²	37.9	6%	0.062	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-52.1	175.6	0	0	0	0	0	113.1	M198 T311 I315 A316 I317	M198-G313 WeakPolarHBondContact SD-CA 3.39Å; M198-G313 PolarHBondContact SD-N 3.22Å; T311-G313 PolarHBondContact O-N 3.28Å; T311-G313 PolarHBondContact OG1-N 3.32Å; G313-I315 VanDerWaalsContact C-N 3.31Å; G313-I315 PolarHBondContact O-N 2.71Å; G313-A316 WeakPolarHBondContact O-CB 3.36Å; G313-A316 PolarHBondContact O-N 3.47Å; G313-I317 WeakPolarHBondContact O-CG1 3.49Å; G313-I317 PolarHBondContact O-N 3.49Å
314	I	98.3	Very high	94.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.7	-34.5	177.3	-56.2	-53.8	0	0	0	111.3	A290 L295 P310 T311 A316 I317 T318 E365 F368 L369	A290-I314 HydrophobicContact CB-CG2 4.08Å; L295-I314 HydrophobicContact CD1-CB 4.42Å; L295-I314 HydrophobicContact CD1-CG1 4.38Å; L295-I314 HydrophobicContact CD1-CG2 4.01Å; L295-I314 HydrophobicContact CD2-CG2 4.41Å; L295-I314 HydrophobicContact CG-CG2 4.15Å; P310-I314 HydrophobicContact CB-CB 4.32Å; T311-I314 PolarHBondContact O-N 3.36Å; T311-I314 VanDerWaalsContact O-N 3.11Å; T311-I314 PolarHBondContact OG1-N 2.73Å; I314-A316 VanDerWaalsContact C-N 3.33Å; I314-A316 PolarHBondContact O-N 2.86Å; I314-I317 HydrophobicContact CD1-CD1 4.2Å; I314-I317 PolarHBondContact O-N 3.37Å; I314-T318 WeakPolarHBondContact O-CB 3.39Å; I314-T318 PolarHBondContact O-N 3.02Å; I314-T318 PolarHBondContact O-OG1 3.41Å; I314-E365 HydrophobicContact CD1-CB 4.18Å; I314-E365 HydrophobicContact CD1-CG 4.43Å; I314-E365 HydrophobicContact CG1-CB 4.04Å; I314-E365 HydrophobicContact CG1-CG 3.75Å; I314-E365 WeakPolarHBondContact CG1-OE2 3.34Å; I314-F368 HydrophobicContact CD1-CD1 4.07Å; I314-F368 HydrophobicContact CD1-CE1 4.34Å; I314-F368 HydrophobicContact CG2-CE1 4.38Å; I314-L369 HydrophobicContact CD1-CD1 4.36Å; I314-L369 HydrophobicContact CD1-CD2 4.18Å; I314-L369 HydrophobicContact CD1-CG 4.16Å
315	I	98.7	Very high	94.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-42.5	173.5	-62.4	167.9	0	0	0	110.5	L218 T240 F242 L282 I286 I287 A290 P310 T311 T312 G313 T318 L319	L218-I315 HydrophobicContact CD2-CB 4.4Å; L218-I315 HydrophobicContact CD2-CG2 3.81Å; T240-I315 HydrophobicContact CG2-CD1 4.09Å; T240-I315 HydrophobicContact CG2-CG2 4.31Å; F242-I315 HydrophobicContact CE1-CD1 3.87Å; F242-I315 HydrophobicContact CZ-CD1 4.03Å; L282-I315 HydrophobicContact CD2-CG2 3.65Å; I286-I315 HydrophobicContact CG2-CG2 4.15Å; I287-I315 HydrophobicContact CG1-CD1 4.16Å; I287-I315 HydrophobicContact CG1-CG1 4.46Å; I287-I315 HydrophobicContact CG1-CG2 4.18Å; I287-I315 HydrophobicContact CG2-CD1 4.03Å; I287-I315 HydrophobicContact CG2-CG1 4.42Å; A290-I315 HydrophobicContact CB-CG1 4.36Å; P310-I315 HydrophobicContact CB-CG1 4.06Å; T311-I315 WeakPolarHBondContact O-CG1 3.47Å; T311-I315 PolarHBondContact O-N 2.75Å; T311-I315 VanDerWaalsContact O-N 3.08Å; T312-I315 PolarHBondContact O-N 3.37Å; G313-I315 VanDerWaalsContact C-N 3.31Å; G313-I315 PolarHBondContact O-N 2.71Å; I315-T318 PolarHBondContact O-N 3.32Å; I315-L319 PolarHBondContact O-N 3.25Å
316	A	98.8	Very high	95.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-39.8	177.2	0	0	0	0	0	112.6	V173 I196 M198 L218 T312 G313 I314 T318 L319 A320	V173-A316 HydrophobicContact CG1-CB 3.79Å; I196-A316 HydrophobicContact CG2-CB 3.98Å; M198-A316 HydrophobicContact CE-CB 3.63Å; L218-A316 HydrophobicContact CD1-CB 4.07Å; L218-A316 HydrophobicContact CD2-CB 4.01Å; T312-A316 VanDerWaalsContact O-CB 3.3Å; T312-A316 WeakPolarHBondContact O-CB 2.75Å; T312-A316 PolarHBondContact O-N 3.46Å; G313-A316 WeakPolarHBondContact O-CB 3.36Å; G313-A316 PolarHBondContact O-N 3.47Å; I314-A316 VanDerWaalsContact C-N 3.33Å; I314-A316 PolarHBondContact O-N 2.86Å; A316-T318 VanDerWaalsContact C-N 3.33Å; A316-L319 PolarHBondContact O-N 3.42Å; A316-A320 PolarHBondContact O-N 3.02Å
317	I	98.7	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-43.2	172.8	-67.2	173.4	0	0	0	110.5	V173 G313 I314 L319 A320 F321 L329 F332 L369	V173-I317 HydrophobicContact CB-CG1 4.36Å; V173-I317 HydrophobicContact CG1-CG1 4.19Å; V173-I317 HydrophobicContact CG2-CG1 4.33Å; G313-I317 WeakPolarHBondContact O-CG1 3.49Å; G313-I317 PolarHBondContact O-N 3.49Å; I314-I317 HydrophobicContact CD1-CD1 4.2Å; I314-I317 PolarHBondContact O-N 3.37Å; I317-L319 PolarHBondContact O-N 3.49Å; I317-A320 WeakPolarHBondContact O-CB 3.43Å; I317-A320 PolarHBondContact O-N 3.26Å; I317-A320 VanDerWaalsContact O-N 3.13Å; I317-F321 HydrophobicContact CG2-CD2 4.39Å; I317-F321 HydrophobicContact CG2-CE1 3.97Å; I317-F321 HydrophobicContact CG2-CE2 3.76Å; I317-F321 HydrophobicContact CG2-CZ 3.52Å; I317-F321 WeakPolarHBondContact O-CG 3.32Å; I317-F321 PolarHBondContact O-N 3.04Å; I317-L329 HydrophobicContact CD1-CD1 3.99Å; I317-L329 HydrophobicContact CD1-CD2 3.72Å; I317-L329 HydrophobicContact CG1-CD2 3.68Å; I317-F332 HydrophobicContact CD1-CD1 4.06Å; I317-F332 HydrophobicContact CD1-CE1 3.6Å; I317-F332 HydrophobicContact CD1-CE2 4.45Å; I317-F332 HydrophobicContact CD1-CZ 3.83Å; I317-F332 HydrophobicContact CG1-CE1 4.2Å; I317-F332 HydrophobicContact CG1-CZ 4Å; I317-L369 HydrophobicContact CD1-CD2 3.53Å
318	T	98.4	Very high	96.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.5	-44.5	178	-51.8	0	0	0	0	110.8	I286 T289 A290 L294 I314 I315 A316 A320 F321 Y322	I286-T318 HydrophobicContact CG2-CG2 3.97Å; T289-T318 HydrophobicContact CG2-CG2 3.76Å; A290-T318 HydrophobicContact CB-CG2 4.5Å; A290-T318 WeakPolarHBondContact CB-OG1 3.27Å; L294-T318 HydrophobicContact CD1-CG2 4.11Å; L294-T318 VanDerWaalsContact CD1-OG1 3.28Å; L294-T318 WeakPolarHBondContact CD1-OG1 3.47Å; I314-T318 WeakPolarHBondContact O-CB 3.39Å; I314-T318 PolarHBondContact O-N 3.02Å; I314-T318 PolarHBondContact O-OG1 3.41Å; I315-T318 PolarHBondContact O-N 3.32Å; A316-T318 VanDerWaalsContact C-N 3.33Å; T318-A320 VanDerWaalsContact C-N 3.32Å; T318-A320 PolarHBondContact O-N 3.41Å; T318-F321 PolarHBondContact O-N 3.01Å; T318-Y322 HydrophobicContact CG2-CD2 4.41Å; T318-Y322 HydrophobicContact CG2-CE2 4.08Å; T318-Y322 VanDerWaalsContact O-CD2 3.27Å; T318-Y322 WeakPolarHBondContact O-CD2 3.27Å; T318-Y322 PolarHBondContact O-N 3.02Å
319	L	98.3	Very high	96.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56.4	-46.5	171.9	172.7	65.6	0	0	0	111.3	P115 F116 L218 I238 L282 I286 I315 A316 I317 F321 Y322 I323	P115-L319 HydrophobicContact CB-CD1 3.5Å; P115-L319 VanDerWaalsContact CB-CD1 3.5Å; P115-L319 HydrophobicContact CG-CD1 3.63Å; F116-L319 HydrophobicContact CE1-CD1 4.28Å; L218-L319 HydrophobicContact CD1-CD2 3.95Å; I238-L319 HydrophobicContact CD1-CD2 3.5Å; L282-L319 HydrophobicContact CD1-CD1 4.12Å; I286-L319 HydrophobicContact CG2-CB 4.32Å; I315-L319 PolarHBondContact O-N 3.25Å; A316-L319 PolarHBondContact O-N 3.42Å; I317-L319 PolarHBondContact O-N 3.49Å; L319-F321 VanDerWaalsContact C-N 3.28Å; L319-F321 PolarHBondContact O-N 3.38Å; L319-Y322 PolarHBondContact O-N 3.14Å; L319-I323 HydrophobicContact CD1-CD1 4.29Å; L319-I323 HydrophobicContact CD1-CG2 4.05Å; L319-I323 HydrophobicContact CG-CD1 4.08Å; L319-I323 PolarHBondContact O-N 2.84Å
320	A	98.2	Very high	97.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.4	-43	178.9	0	0	0	0	0	111.5	V173 I196 A316 I317 T318 Y322 I323 C324 V327	V173-A320 HydrophobicContact CG2-CB 3.7Å; I196-A320 HydrophobicContact CD1-CB 3.82Å; A316-A320 PolarHBondContact O-N 3.02Å; I317-A320 WeakPolarHBondContact O-CB 3.43Å; I317-A320 PolarHBondContact O-N 3.26Å; I317-A320 VanDerWaalsContact O-N 3.13Å; T318-A320 VanDerWaalsContact C-N 3.32Å; T318-A320 PolarHBondContact O-N 3.41Å; A320-Y322 PolarHBondContact O-N 3.46Å; A320-I323 PolarHBondContact O-N 3.39Å; A320-I323 VanDerWaalsContact O-N 3.14Å; A320-C324 WeakPolarHBondContact O-CB 3.47Å; A320-C324 PolarHBondContact O-N 3.1Å; A320-C324 PolarHBondContact O-SG 2.78Å; A320-V327 HydrophobicContact CB-CG1 4.06Å; A320-V327 HydrophobicContact CB-CG2 3.82Å
321	F	97.1	Very high	97.3	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-29.2	177.9	-62.3	-27.3	0	0	0	113.8	F104 L107 L108 L294 I317 T318 L319 V327 F368 I372 V378	F104-F321 HydrophobicContact CB-CD1 4.12Å; F104-F321 HydrophobicContact CB-CE1 4.09Å; F104-F321 HydrophobicContact CB-CG 4.45Å; F104-F321 HydrophobicContact CB-CZ 4.37Å; F104-F321 AromaticContact CD1-CD1 3.6Å; F104-F321 HydrophobicContact CD1-CD1 3.6Å; F104-F321 AromaticContact CD1-CE1 3.71Å; F104-F321 HydrophobicContact CD1-CE1 3.71Å; F104-F321 HydrophobicContact CD2-CB 3.71Å; F104-F321 AromaticContact CD2-CD1 3.62Å; F104-F321 HydrophobicContact CD2-CD1 3.62Å; F104-F321 HydrophobicContact CD2-CE1 4.38Å; F104-F321 AromaticContact CD2-CG 3.8Å; F104-F321 HydrophobicContact CD2-CG 3.8Å; F104-F321 AromaticContact CE1-CD1 3.86Å; F104-F321 HydrophobicContact CE1-CD1 3.86Å; F104-F321 HydrophobicContact CE1-CE1 4.25Å; F104-F321 HydrophobicContact CE2-CB 3.81Å; F104-F321 AromaticContact CE2-CD1 3.88Å; F104-F321 HydrophobicContact CE2-CD1 3.88Å; F104-F321 HydrophobicContact CE2-CG 4.2Å; F104-F321 VanDerWaalsContact CE2-O 3.23Å; F104-F321 WeakPolarHBondContact CE2-O 3.07Å; F104-F321 HydrophobicContact CG-CB 4.41Å; F104-F321 AromaticContact CG-CD1 3.47Å; F104-F321 HydrophobicContact CG-CD1 3.47Å; F104-F321 VanDerWaalsContact CG-CD1 3.47Å; F104-F321 AromaticContact CG-CE1 3.79Å; F104-F321 HydrophobicContact CG-CE1 3.79Å; F104-F321 HydrophobicContact CG-CG 4Å; F104-F321 AromaticContact CZ-CD1 3.98Å; F104-F321 HydrophobicContact CZ-CD1 3.98Å; L107-F321 HydrophobicContact CD1-CE2 3.95Å; L107-F321 HydrophobicContact CD1-CZ 4.4Å; L108-F321 HydrophobicContact CD1-CB 4.42Å; L108-F321 VanDerWaalsContact CD1-O 3.31Å; L108-F321 WeakPolarHBondContact CD1-O 3.42Å; L108-F321 HydrophobicContact CD2-CB 3.8Å; L294-F321 HydrophobicContact CD1-CD2 4.44Å; L294-F321 HydrophobicContact CD1-CE2 4.33Å; I317-F321 HydrophobicContact CG2-CD2 4.39Å; I317-F321 HydrophobicContact CG2-CE1 3.97Å; I317-F321 HydrophobicContact CG2-CE2 3.76Å; I317-F321 HydrophobicContact CG2-CZ 3.52Å; I317-F321 WeakPolarHBondContact O-CG 3.32Å; I317-F321 PolarHBondContact O-N 3.04Å; T318-F321 PolarHBondContact O-N 3.01Å; L319-F321 VanDerWaalsContact C-N 3.28Å; L319-F321 PolarHBondContact O-N 3.38Å; F321-V327 HydrophobicContact CD1-CB 4.4Å; F321-V327 HydrophobicContact CD1-CG2 4Å; F321-V327 HydrophobicContact CE1-CB 4.26Å; F321-V327 HydrophobicContact CE1-CG1 4.29Å; F321-V327 HydrophobicContact CE1-CG2 4.36Å; F321-F368 HydrophobicContact CE2-CZ 4.39Å; F321-I372 HydrophobicContact CZ-CD1 4.2Å; F321-V378 HydrophobicContact CE1-CG1 3.54Å; F321-V378 HydrophobicContact CZ-CG1 3.87Å
322	Y	94.9	Very high	97.3	Very high	27 Å²	27	9.6 Å²	9.6	11%	0.106	5%	0.048	C	C	.	.	H	α-helix	trans	-84.2	-16.6	178.1	-76.7	-77.4	0	0	0	114.2	L108 F110 F113 F285 I286 T289 T318 L319 A320	L108-Y322 HydrophobicContact CB-CE1 4.5Å; L108-Y322 HydrophobicContact CD2-CD1 4.3Å; L108-Y322 HydrophobicContact CD2-CD2 4.2Å; L108-Y322 HydrophobicContact CD2-CE1 3.94Å; L108-Y322 HydrophobicContact CD2-CE2 3.82Å; L108-Y322 HydrophobicContact CD2-CG 4.43Å; F110-Y322 VanDerWaalsContact O-CE1 3.29Å; F110-Y322 WeakPolarHBondContact O-CE1 3.48Å; F113-Y322 HydrophobicContact CB-CD1 3.68Å; F113-Y322 HydrophobicContact CB-CE1 3.97Å; F113-Y322 AromaticContact CD1-CD1 3.98Å; F113-Y322 HydrophobicContact CD1-CD1 3.98Å; F113-Y322 HydrophobicContact CD1-CE1 4.36Å; F113-Y322 HydrophobicContact CD1-CG 4.11Å; F113-Y322 HydrophobicContact CG-CD1 4.15Å; F113-Y322 HydrophobicContact CG-CE1 4.31Å; F285-Y322 HydrophobicContact CE1-CE1 4.14Å; F285-Y322 HydrophobicContact CE1-CE2 4.25Å; F285-Y322 AromaticContact CE1-CZ 3.64Å; F285-Y322 VanDerWaalsContact CE1-OH 3.27Å; F285-Y322 WeakPolarHBondContact CE1-OH 3.38Å; I286-Y322 HydrophobicContact CD1-CD2 3.31Å; I286-Y322 HydrophobicContact CD1-CE2 3.71Å; I286-Y322 HydrophobicContact CD1-CG 4Å; T289-Y322 HydrophobicContact CG2-CE2 4.2Å; T318-Y322 HydrophobicContact CG2-CD2 4.41Å; T318-Y322 HydrophobicContact CG2-CE2 4.08Å; T318-Y322 VanDerWaalsContact O-CD2 3.27Å; T318-Y322 WeakPolarHBondContact O-CD2 3.27Å; T318-Y322 PolarHBondContact O-N 3.02Å; L319-Y322 PolarHBondContact O-N 3.14Å; A320-Y322 PolarHBondContact O-N 3.46Å
323	I	94.2	Very high	96.9	Very high	16 Å²	16	14 Å²	14	8%	0.082	7%	0.066	C	C	.	.	H	α-helix	trans	-120.4	-4.4	-172	75.2	179.2	0	0	0	114	P115 L159 F160 I196 F216 L319 A320	P115-I323 HydrophobicContact CG-CG2 3.75Å; L159-I323 HydrophobicContact CD1-CB 4.21Å; L159-I323 HydrophobicContact CD1-CD1 4.14Å; L159-I323 HydrophobicContact CD1-CG2 3.71Å; L159-I323 HydrophobicContact CD2-CB 4.08Å; L159-I323 HydrophobicContact CD2-CG2 3.71Å; L159-I323 HydrophobicContact CG-CG2 4.37Å; F160-I323 HydrophobicContact CZ-CB 4.38Å; F160-I323 HydrophobicContact CZ-CD1 4.43Å; I196-I323 HydrophobicContact CD1-CD1 4.12Å; F216-I323 HydrophobicContact CD2-CD1 4.01Å; F216-I323 HydrophobicContact CE2-CD1 3.68Å; L319-I323 HydrophobicContact CD1-CD1 4.29Å; L319-I323 HydrophobicContact CD1-CG2 4.05Å; L319-I323 HydrophobicContact CG-CD1 4.08Å; L319-I323 PolarHBondContact O-N 2.84Å; A320-I323 PolarHBondContact O-N 3.39Å; A320-I323 VanDerWaalsContact O-N 3.14Å
324	C	94.1	Very high	96.4	Very high	13 Å²	13	16.4 Å²	16.4	9%	0.088	7%	0.073	C	C	.	.			trans	-125.8	158.2	-172.2	-50.7	0	0	0	0	111.6	F104 C171 A320 V327	F104-C324 WeakPolarHBondContact CZ-O 3.47Å; C171-C324 HydrophobicContact CB-CB 3.67Å; C171-C324 WeakPolarHBondContact CB-SG 3.27Å; C171-C324 WeakPolarHBondContact SG-CB 3.49Å; C171-C324 CovalentContact SG-SG 1.98Å; C171-C324 PolarHBondContact SG-SG 3.4Å; A320-C324 WeakPolarHBondContact O-CB 3.47Å; A320-C324 PolarHBondContact O-N 3.1Å; A320-C324 PolarHBondContact O-SG 2.78Å; C324-V327 HydrophobicContact CB-CG2 3.76Å
325	H	94.1	Very high	95.9	Very high	39 Å²	39	20 Å²	20	18%	0.181	9%	0.093	C	C	.	.	S	Bend	trans	-97.3	-35.8	170.7	-173.6	64.5	0	0	0	112.3	C98 S100 P102 C168 K169	C98-H325 VanDerWaalsContact SG-CE1 3.55Å; C98-H325 VanDerWaalsContact SG-CG 3.59Å; C98-H325 PolarHBondContact SG-ND1 3.16Å; C98-H325 VanDerWaalsContact SG-ND1 3.44Å; S100-H325 PolarHBondContact O-CE1 3.33Å; S100-H325 PolarHBondContact OG-CE1 2.96Å; S100-H325 PolarHBondContact OG-NE2 1.98Å; P102-H325 VanDerWaalsContact CB-O 3.23Å; P102-H325 WeakPolarHBondContact CB-O 3.11Å; C168-H325 HydrophobicContact CB-CB 4.01Å; K169-H325 PolarHBondContact O-N 3.03Å
326	E	96.6	Very high	95.2	Very high	55 Å²	55	24 Å²	24	26%	0.257	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.1	178.2	-167.6	-178.8	131.2	0	0	108.4	K169 K170 C171 H328	K169-E326 PolarHBondContact O-N 3.42Å; K170-E326 WeakPolarHBondContact CE-OE2 3.38Å; K170-E326 HydrophobicContact CG-CB 4.13Å; K170-E326 IonicContact NZ-OE1 3.88Å; K170-E326 PolarHBondContact NZ-OE1 2.92Å; K170-E326 IonicContact NZ-OE2 2.63Å; K170-E326 PolarHBondContact NZ-OE2 3.5Å; C171-E326 PolarHBondContact N-O 2.82Å; E326-H328 IonicContact OE1-CD2 3.58Å; E326-H328 IonicContact OE1-CE1 3.32Å; E326-H328 IonicContact OE1-NE2 3.55Å; E326-H328 PolarHBondContact OE1-NE2 2.86Å
327	V	98.4	Very high	94.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.9	-177.1	175.6	0	0	0	0	110.4	F104 C171 V173 A320 F321 C324 L329 V378 I379	F104-V327 HydrophobicContact CE1-CB 4.07Å; F104-V327 HydrophobicContact CE1-CG2 3.66Å; F104-V327 HydrophobicContact CZ-CG2 3.88Å; C171-V327 HydrophobicContact CB-CG2 4.48Å; C171-V327 WeakPolarHBondContact O-CA 3.4Å; V173-V327 HydrophobicContact CG2-CG1 4.21Å; A320-V327 HydrophobicContact CB-CG1 4.06Å; A320-V327 HydrophobicContact CB-CG2 3.82Å; F321-V327 HydrophobicContact CD1-CB 4.4Å; F321-V327 HydrophobicContact CD1-CG2 4Å; F321-V327 HydrophobicContact CE1-CB 4.26Å; F321-V327 HydrophobicContact CE1-CG1 4.29Å; F321-V327 HydrophobicContact CE1-CG2 4.36Å; C324-V327 HydrophobicContact CB-CG2 3.76Å; V327-L329 HydrophobicContact CG1-CD2 4.04Å; V327-V378 HydrophobicContact CB-CG1 4.14Å; V327-V378 HydrophobicContact CG1-CG1 4.14Å; V327-V378 WeakPolarHBondContact O-CA 3.23Å; V327-V378 WeakPolarHBondContact O-CB 3.39Å; V327-I379 PolarHBondContact O-N 3.05Å; V327-I379 VanDerWaalsContact O-N 3.13Å
328	H	98.6	Very high	94.3	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.7	174.1	-70.9	-124.9	0	0	0	110.3	C171 V172 V173 Y192 E326 I379 L381	C171-H328 PolarHBondContact O-N 3.08Å; V172-H328 CarbonylContact C-O 3.43Å; V172-H328 WeakPolarHBondContact CA-O 3.37Å; V172-H328 HydrophobicContact CB-CB 4.34Å; V172-H328 HydrophobicContact CG2-CB 4.22Å; V173-H328 PolarHBondContact N-O 3.25Å; Y192-H328 HydrophobicContact CE1-CB 3.85Å; Y192-H328 AromaticContact CE1-CD2 3.56Å; Y192-H328 AromaticContact CE1-CG 3.58Å; Y192-H328 AromaticContact CE1-NE2 3.96Å; Y192-H328 AromaticContact CZ-CG 3.67Å; Y192-H328 AromaticContact CZ-ND1 3.75Å; Y192-H328 PolarHBondContact OH-CE1 2.89Å; Y192-H328 PolarHBondContact OH-ND1 3.27Å; E326-H328 IonicContact OE1-CD2 3.58Å; E326-H328 IonicContact OE1-CE1 3.32Å; E326-H328 IonicContact OE1-NE2 3.55Å; E326-H328 PolarHBondContact OE1-NE2 2.86Å; H328-I379 CarbonylContact C-O 3.59Å; H328-I379 WeakPolarHBondContact CA-O 3.27Å; H328-I379 WeakPolarHBondContact CE1-CD1 3.49Å; H328-I379 WeakPolarHBondContact ND1-CB 3.34Å; H328-I379 WeakPolarHBondContact ND1-CG2 3.37Å; H328-I379 WeakPolarHBondContact NE2-CD1 3.5Å; H328-L381 HydrophobicContact CB-CD1 4.09Å; H328-L381 HydrophobicContact CB-CG 4.12Å; H328-L381 WeakPolarHBondContact ND1-CD2 3.46Å
329	L	98.6	Very high	93.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.1	-178.1	-54.4	-175.2	0	0	0	110	V173 I317 V327 F332 L369 I372 V378 I379 N380 L381	V173-L329 HydrophobicContact CB-CD2 4.02Å; V173-L329 HydrophobicContact CG2-CD2 4.26Å; I317-L329 HydrophobicContact CD1-CD1 3.99Å; I317-L329 HydrophobicContact CD1-CD2 3.72Å; I317-L329 HydrophobicContact CG1-CD2 3.68Å; V327-L329 HydrophobicContact CG1-CD2 4.04Å; L329-F332 HydrophobicContact CB-CD2 4.04Å; L329-F332 HydrophobicContact CB-CE2 4.49Å; L329-F332 HydrophobicContact CD2-CE2 4.4Å; L329-L369 HydrophobicContact CD1-CD2 3.75Å; L329-I372 HydrophobicContact CD1-CD1 4.4Å; L329-V378 HydrophobicContact CD1-CB 4.41Å; L329-V378 HydrophobicContact CD1-CG2 3.77Å; L329-V378 HydrophobicContact CG-CB 4.34Å; L329-V378 HydrophobicContact CG-CG2 4.19Å; L329-I379 PolarHBondContact N-O 3.08Å; L329-N380 PolarHBondContact O-OD1 2.73Å; L329-L381 PolarHBondContact O-N 3.34Å
330	A	98.3	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135	172.1	0	0	0	0	0	109.6	V172 V173 G175 L180 I189 F332 L381 T382	V172-A330 HydrophobicContact CG2-CB 4.41Å; V173-A330 PolarHBondContact O-N 3.06Å; G175-A330 PolarHBondContact N-O 2.76Å; L180-A330 HydrophobicContact CD2-CB 4.13Å; I189-A330 HydrophobicContact CD1-CB 4.32Å; A330-F332 VanDerWaalsContact O-CD2 3.26Å; A330-F332 WeakPolarHBondContact O-CD2 3.36Å; A330-L381 HydrophobicContact CB-CB 4.41Å; A330-T382 WeakPolarHBondContact CA-OG1 3.34Å
331	G	97.1	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	77.8	30.1	172.9	0	0	0	0	0	116.8	G177 L180 T382	G177-G331 WeakPolarHBondContact CA-O 3.41Å; G177-G331 PolarHBondContact N-O 2.9Å; L180-G331 VanDerWaalsContact CG-CA 3.5Å; G331-T382 PolarHBondContact N-OG1 3.46Å
332	F	95.6	Very high	93.1	Very high	19 Å²	19	48.6 Å²	48.6	8%	0.083	25%	0.246	C	C	.	.			trans	-105.6	2.7	-178.9	-79.2	-91.9	0	0	0	115.1	V173 M198 I317 L329 A330 Q366 L369	V173-F332 HydrophobicContact CB-CE2 4.16Å; V173-F332 HydrophobicContact CB-CZ 4.33Å; V173-F332 HydrophobicContact CG1-CE2 3.91Å; V173-F332 HydrophobicContact CG1-CZ 3.65Å; V173-F332 WeakPolarHBondContact O-CE2 3.27Å; M198-F332 HydrophobicContact CE-CZ 4.07Å; I317-F332 HydrophobicContact CD1-CD1 4.06Å; I317-F332 HydrophobicContact CD1-CE1 3.6Å; I317-F332 HydrophobicContact CD1-CE2 4.45Å; I317-F332 HydrophobicContact CD1-CZ 3.83Å; I317-F332 HydrophobicContact CG1-CE1 4.2Å; I317-F332 HydrophobicContact CG1-CZ 4Å; L329-F332 HydrophobicContact CB-CD2 4.04Å; L329-F332 HydrophobicContact CB-CE2 4.49Å; L329-F332 HydrophobicContact CD2-CE2 4.4Å; A330-F332 VanDerWaalsContact O-CD2 3.26Å; A330-F332 WeakPolarHBondContact O-CD2 3.36Å; F332-Q366 PolarHBondContact O-NE2 3.18Å; F332-Q366 PolarHBondContact O-OE1 2.68Å; F332-L369 HydrophobicContact CB-CD1 4.05Å; F332-L369 HydrophobicContact CD1-CD1 4.12Å; F332-L369 HydrophobicContact CD1-CD2 4.31Å
333	K	90.3	Very high	93.1	Very high	102 Å²	102	48 Å²	48	44%	0.443	25%	0.245	S	C	.	.			trans	-95.5	139	179.2	-173.4	177.9	177.7	-175.8	0	110.7	V179	V179-K333 HydrophobicContact CB-CB 4.3Å; V179-K333 HydrophobicContact CG1-CB 4.06Å; V179-K333 HydrophobicContact CG2-CB 4.24Å; V179-K333 HydrophobicContact CG2-CD 4.33Å
334	Y	88	Confident	93.2	Very high	56 Å²	56	49.5 Å²	49.5	22%	0.22	25%	0.252	C	S	.	.			trans	-125.7	149.1	175.1	-60.6	-70.9	0	0	0	111.3	F336 L343 M351 M354 V362	Y334-F336 HydrophobicContact CD2-CZ 4.23Å; Y334-F336 HydrophobicContact CG-CZ 4.42Å; Y334-L343 HydrophobicContact CD1-CD1 4.28Å; Y334-L343 HydrophobicContact CE1-CD1 4.01Å; Y334-M351 HydrophobicContact CD1-CE 4.44Å; Y334-M351 HydrophobicContact CD1-SD 3.77Å; Y334-M351 HydrophobicContact CG-CE 4.26Å; Y334-M351 HydrophobicContact CG-SD 4.18Å; Y334-M354 HydrophobicContact CD1-CE 3.55Å; Y334-M354 HydrophobicContact CD2-CE 3.84Å; Y334-M354 HydrophobicContact CE1-CE 3.52Å; Y334-M354 HydrophobicContact CE2-CE 3.82Å; Y334-M354 HydrophobicContact CG-CE 3.71Å; Y334-V362 HydrophobicContact CD2-CG1 4.23Å; Y334-V362 HydrophobicContact CE2-CG1 4.35Å
335	N	86.5	Confident	93.3	Very high	76 Å²	76	49.1 Å²	49.1	41%	0.406	25%	0.248	S	C	.	.			trans	-96.9	97.8	172.6	-176.5	-8.4	0	0	0	109.7	S337 D338 S341	N335-S337 VanDerWaalsContact C-N 3.29Å; N335-S337 WeakPolarHBondContact OD1-CB 3.3Å; N335-S337 PolarHBondContact OD1-N 3.46Å; N335-D338 PolarHBondContact OD1-N 3.47Å; N335-S341 PolarHBondContact O-OG 3.03Å
336	F	85.2	Confident	93.4	Very high	84 Å²	84	49.4 Å²	49.4	37%	0.368	25%	0.248	S	C	.	.	S	Bend	trans	-76.9	-15.4	179.1	-63.1	-82.1	0	0	0	113.6	Y334 M351 M354 V362 Q366	Y334-F336 HydrophobicContact CD2-CZ 4.23Å; Y334-F336 HydrophobicContact CG-CZ 4.42Å; F336-M351 HydrophobicContact CD1-CE 3.85Å; F336-M351 HydrophobicContact CE1-CE 3.87Å; F336-M351 HydrophobicContact CG-CE 4.46Å; F336-M351 HydrophobicContact CZ-CE 4.5Å; F336-M354 HydrophobicContact CE1-SD 3.79Å; F336-M354 HydrophobicContact CZ-SD 4.36Å; F336-V362 HydrophobicContact CE1-CB 4.46Å; F336-V362 HydrophobicContact CE1-CG1 4.07Å; F336-V362 HydrophobicContact CZ-CB 4.5Å; F336-V362 HydrophobicContact CZ-CG1 3.74Å; F336-Q366 HydrophobicContact CE2-CG 3.78Å; F336-Q366 HydrophobicContact CZ-CG 3.81Å
337	S	87.8	Confident	93.3	Very high	121 Å²	121	48.9 Å²	48.9	85%	0.846	26%	0.258	S	S	*	.	S	Bend	trans	-80.6	-29.1	-179.5	-57	0	0	0	0	112.4	N335	N335-S337 VanDerWaalsContact C-N 3.29Å; N335-S337 WeakPolarHBondContact OD1-CB 3.3Å; N335-S337 PolarHBondContact OD1-N 3.46Å
338	D	90.2	Very high	93.1	Very high	70 Å²	70	56.4 Å²	56.4	37%	0.374	30%	0.298	S	S	.	.			trans	-113.7	105	178	177.8	14.9	0	0	0	111.7	N335 K340 S341	N335-D338 PolarHBondContact OD1-N 3.47Å; D338-K340 PolarHBondContact O-N 3.28Å; D338-K340 WeakPolarHBondContact OD1-CA 3.35Å; D338-K340 WeakPolarHBondContact OD1-CB 3.16Å; D338-K340 PolarHBondContact OD1-N 3.3Å; D338-S341 VanDerWaalsContact O-CB 3.28Å; D338-S341 WeakPolarHBondContact O-CB 3.11Å; D338-S341 PolarHBondContact O-N 3.09Å; D338-S341 VanDerWaalsContact O-N 3.11Å; D338-S341 PolarHBondContact O-OG 3.26Å; D338-S341 PolarHBondContact OD1-N 2.9Å; D338-S341 PolarHBondContact OD2-N 3.06Å
339	L	88.8	Confident	92.8	Very high	81 Å²	81	57.1 Å²	57.1	42%	0.424	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.3	178.3	-61.6	-178.8	0	0	0	114	T350 M351 S352 N355	L339-T350 WeakPolarHBondContact O-CB 3.26Å; L339-T350 PolarHBondContact O-OG1 2.98Å; L339-M351 PolarHBondContact O-N 2.8Å; L339-S352 PolarHBondContact O-N 2.63Å; L339-N355 WeakPolarHBondContact CD2-ND2 3.21Å
340	K	92.3	Very high	92.5	Very high	179 Å²	179	59 Å²	59	78%	0.778	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.6	175.1	-62.8	-178	-179.1	178.3	0	112.1	D338 T350	D338-K340 PolarHBondContact O-N 3.28Å; D338-K340 WeakPolarHBondContact OD1-CA 3.35Å; D338-K340 WeakPolarHBondContact OD1-CB 3.16Å; D338-K340 PolarHBondContact OD1-N 3.3Å; K340-T350 WeakPolarHBondContact O-CG2 3.37Å
341	S	92.8	Very high	92.1	Very high	11 Å²	11	59 Å²	59	8%	0.077	32%	0.317	C	S	.	.	S	Bend	trans	-58.6	146.3	178.5	68.4	0	0	0	0	111.2	N335 D338 L343 T350 M351	N335-S341 PolarHBondContact O-OG 3.03Å; D338-S341 VanDerWaalsContact O-CB 3.28Å; D338-S341 WeakPolarHBondContact O-CB 3.11Å; D338-S341 PolarHBondContact O-N 3.09Å; D338-S341 VanDerWaalsContact O-N 3.11Å; D338-S341 PolarHBondContact O-OG 3.26Å; D338-S341 PolarHBondContact OD1-N 2.9Å; D338-S341 PolarHBondContact OD2-N 3.06Å; S341-L343 PolarHBondContact O-N 2.75Å; S341-T350 VanDerWaalsContact O-CA 3.31Å; S341-T350 WeakPolarHBondContact O-CA 3.19Å; S341-T350 WeakPolarHBondContact O-CB 3.4Å; S341-M351 PolarHBondContact O-N 3.26Å; S341-M351 WeakPolarHBondContact OG-CG 3.32Å
342	P	93.8	Very high	91.7	Very high	57 Å²	57	61 Å²	61	37%	0.37	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-59.8	127.5	179.7	-23.7	33.9	0	0	0	111.4	K181	K181-P342 HydrophobicContact CD-CB 4.13Å; K181-P342 HydrophobicContact CD-CG 4.11Å
343	L	93.4	Very high	91.2	Very high	16 Å²	16	64.4 Å²	64.4	8%	0.084	35%	0.35	C	S	.	.	S	Bend	trans	-71.7	-42.4	172.9	176	59.4	0	0	0	110.6	G177 G178 Y334 S341 A349 M351 L353 M354	G177-L343 WeakPolarHBondContact CA-O 3.5Å; G178-L343 PolarHBondContact N-O 3.46Å; Y334-L343 HydrophobicContact CD1-CD1 4.28Å; Y334-L343 HydrophobicContact CE1-CD1 4.01Å; S341-L343 PolarHBondContact O-N 2.75Å; L343-A349 HydrophobicContact CB-CB 4.17Å; L343-A349 WeakPolarHBondContact CB-O 3.32Å; L343-A349 HydrophobicContact CD2-CB 4.26Å; L343-A349 PolarHBondContact N-O 2.78Å; L343-M351 HydrophobicContact CD1-SD 3.67Å; L343-L353 HydrophobicContact CD2-CB 4.36Å; L343-M354 HydrophobicContact CD1-CB 4.23Å; L343-M354 HydrophobicContact CD1-CE 3.27Å
344	H	96.3	Very high	90.7	Very high	46 Å²	46	60.8 Å²	60.8	21%	0.213	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-120.1	159.9	-179.2	-54	134.8	0	0	0	112.5	N176 K181 Y346	N176-H344 CarbonylContact O-C 3.58Å; N176-H344 WeakPolarHBondContact O-CA 3.48Å; N176-H344 WeakPolarHBondContact O-CB 3.39Å; K181-H344 WeakPolarHBondContact CE-O 3.43Å; H344-Y346 HydrophobicContact CB-CD1 3.81Å; H344-Y346 HydrophobicContact CB-CE1 3.72Å; H344-Y346 HydrophobicContact CB-CG 4.32Å; H344-Y346 WeakPolarHBondContact CB-O 2.95Å; H344-Y346 PolarHBondContact O-N 3.46Å
345	Y	96.8	Very high	89.9	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.02	35%	0.353	C	S	.	.	S	Bend	trans	-69.4	-13.6	173.2	64.3	-102.8	0	0	0	113.7	N176 L180 K181 G201 P202 H206 V210	N176-Y345 HydrophobicContact CB-CE1 4.33Å; N176-Y345 WeakPolarHBondContact O-CD1 3.36Å; N176-Y345 PolarHBondContact O-N 2.79Å; N176-Y345 VanDerWaalsContact O-N 3.16Å; L180-Y345 HydrophobicContact CB-CD1 4.22Å; L180-Y345 HydrophobicContact CB-CG 4.29Å; L180-Y345 HydrophobicContact CD1-CD1 3.78Å; L180-Y345 HydrophobicContact CD1-CE1 4.16Å; K181-Y345 VanDerWaalsContact CE-C 3.46Å; K181-Y345 WeakPolarHBondContact CE-O 3.22Å; G201-Y345 VanDerWaalsContact CA-OH 3.24Å; G201-Y345 WeakPolarHBondContact CA-OH 3.33Å; P202-Y345 HydrophobicContact CG-CE2 4.29Å; P202-Y345 WeakPolarHBondContact O-CE2 3.14Å; P202-Y345 PolarHBondContact O-OH 2.78Å; P202-Y345 VanDerWaalsContact O-OH 3.06Å; H206-Y345 HydrophobicContact CB-CD2 4.32Å; H206-Y345 HydrophobicContact CB-CE2 4.17Å; H206-Y345 AromaticContact CG-CD2 3.97Å; V210-Y345 HydrophobicContact CG1-CD1 4.18Å; V210-Y345 HydrophobicContact CG1-CD2 4.07Å; V210-Y345 HydrophobicContact CG1-CE1 3.98Å; V210-Y345 HydrophobicContact CG1-CE2 3.92Å; V210-Y345 HydrophobicContact CG1-CG 4.22Å; V210-Y345 HydrophobicContact CG2-CE2 4.37Å
346	Y	96	Very high	89.3	Confident	45 Å²	45	67.7 Å²	67.7	18%	0.176	37%	0.368	C	S	.	.	S	Bend	trans	-122.4	155.9	179.3	62.1	-83	0	0	0	110.8	N176 N200 P202 H206 H344	N176-Y346 HydrophobicContact CB-CE1 4.06Å; N200-Y346 PolarHBondContact O-OH 2.82Å; P202-Y346 HydrophobicContact CG-CD1 4.09Å; P202-Y346 HydrophobicContact CG-CD2 4Å; P202-Y346 HydrophobicContact CG-CG 3.66Å; H206-Y346 WeakPolarHBondContact NE2-CB 3.41Å; H344-Y346 HydrophobicContact CB-CD1 3.81Å; H344-Y346 HydrophobicContact CB-CE1 3.72Å; H344-Y346 HydrophobicContact CB-CG 4.32Å; H344-Y346 WeakPolarHBondContact CB-O 2.95Å; H344-Y346 PolarHBondContact O-N 3.46Å
347	G	94.6	Very high	88.6	Confident	45 Å²	45	66.1 Å²	66.1	46%	0.464	36%	0.363	S	S	.	.	S	Bend	trans	60.4	-164.5	179.8	0	0	0	0	0	114.2	K181	K181-G347 PolarHBondContact NZ-O 2.02Å
348	N	94.1	Very high	87.9	Confident	160 Å²	160	62.2 Å²	62.2	86%	0.856	34%	0.339	S	S	*	.	S	Bend	trans	-116	12.1	-166.4	-60.7	-14.6	0	0	0	113.4
349	A	92.6	Very high	87.4	Confident	26 Å²	26	60 Å²	60	22%	0.215	33%	0.325	C	S	.	.			trans	-65.5	136.4	176.1	0	0	0	0	0	110.2	L343 L353	L343-A349 HydrophobicContact CB-CB 4.17Å; L343-A349 WeakPolarHBondContact CB-O 3.32Å; L343-A349 HydrophobicContact CD2-CB 4.26Å; L343-A349 PolarHBondContact N-O 2.78Å; A349-L353 HydrophobicContact CB-CD1 3.86Å
350	T	93.1	Very high	87	Confident	39 Å²	39	57.7 Å²	57.7	24%	0.239	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-116.6	163.9	-179.8	67.6	0	0	0	0	112	L339 K340 S341 S352 L353	L339-T350 WeakPolarHBondContact O-CB 3.26Å; L339-T350 PolarHBondContact O-OG1 2.98Å; K340-T350 WeakPolarHBondContact O-CG2 3.37Å; S341-T350 VanDerWaalsContact O-CA 3.31Å; S341-T350 WeakPolarHBondContact O-CA 3.19Å; S341-T350 WeakPolarHBondContact O-CB 3.4Å; T350-S352 PolarHBondContact O-N 2.74Å; T350-S352 PolarHBondContact OG1-OG 3.41Å; T350-L353 WeakPolarHBondContact O-CB 3.18Å; T350-L353 PolarHBondContact O-N 3.16Å
351	M	90	Very high	86.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-55	-22.7	178.2	-74.4	-61.4	-62.6	0	0	113.6	Y334 F336 L339 S341 L343 L353 M354 N355	Y334-M351 HydrophobicContact CD1-CE 4.44Å; Y334-M351 HydrophobicContact CD1-SD 3.77Å; Y334-M351 HydrophobicContact CG-CE 4.26Å; Y334-M351 HydrophobicContact CG-SD 4.18Å; F336-M351 HydrophobicContact CD1-CE 3.85Å; F336-M351 HydrophobicContact CE1-CE 3.87Å; F336-M351 HydrophobicContact CG-CE 4.46Å; F336-M351 HydrophobicContact CZ-CE 4.5Å; L339-M351 PolarHBondContact O-N 2.8Å; S341-M351 PolarHBondContact O-N 3.26Å; S341-M351 WeakPolarHBondContact OG-CG 3.32Å; L343-M351 HydrophobicContact CD1-SD 3.67Å; M351-L353 PolarHBondContact O-N 3.2Å; M351-L353 VanDerWaalsContact O-N 3.14Å; M351-M354 HydrophobicContact CE-CB 4.3Å; M351-M354 HydrophobicContact CE-CE 3.84Å; M351-M354 HydrophobicContact CE-SD 3.51Å; M351-M354 VanDerWaalsContact CE-SD 3.51Å; M351-M354 WeakPolarHBondContact O-CB 3.04Å; M351-M354 PolarHBondContact O-N 2.9Å; M351-M354 HydrophobicContact SD-CE 3.85Å; M351-M354 HydrophobicContact SD-SD 4.29Å; M351-N355 PolarHBondContact O-N 3.1Å
352	S	87.1	Confident	86.4	Confident	43 Å²	43	52.7 Å²	52.7	30%	0.301	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-53.2	-30.9	171.1	73.1	0	0	0	0	114.5	L339 T350	L339-S352 PolarHBondContact O-N 2.63Å; T350-S352 PolarHBondContact O-N 2.74Å; T350-S352 PolarHBondContact OG1-OG 3.41Å
353	L	85	Confident	86.2	Confident	90 Å²	90	54.3 Å²	54.3	47%	0.471	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-74.6	-31.6	177.2	-67.4	174.6	0	0	0	112.2	L343 A349 T350 M351 K356	L343-L353 HydrophobicContact CD2-CB 4.36Å; A349-L353 HydrophobicContact CB-CD1 3.86Å; T350-L353 WeakPolarHBondContact O-CB 3.18Å; T350-L353 PolarHBondContact O-N 3.16Å; M351-L353 PolarHBondContact O-N 3.2Å; M351-L353 VanDerWaalsContact O-N 3.14Å; L353-K356 PolarHBondContact O-N 2.96Å
354	M	79.8	Confident	86.1	Confident	25 Å²	25	54.6 Å²	54.6	12%	0.123	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-66	-40.2	179.7	-170.4	-175.6	-74.1	0	0	111.1	Y334 F336 L343 M351 K356 N357 V362	Y334-M354 HydrophobicContact CD1-CE 3.55Å; Y334-M354 HydrophobicContact CD2-CE 3.84Å; Y334-M354 HydrophobicContact CE1-CE 3.52Å; Y334-M354 HydrophobicContact CE2-CE 3.82Å; Y334-M354 HydrophobicContact CG-CE 3.71Å; F336-M354 HydrophobicContact CE1-SD 3.79Å; F336-M354 HydrophobicContact CZ-SD 4.36Å; L343-M354 HydrophobicContact CD1-CB 4.23Å; L343-M354 HydrophobicContact CD1-CE 3.27Å; M351-M354 HydrophobicContact CE-CB 4.3Å; M351-M354 HydrophobicContact CE-CE 3.84Å; M351-M354 HydrophobicContact CE-SD 3.51Å; M351-M354 VanDerWaalsContact CE-SD 3.51Å; M351-M354 WeakPolarHBondContact O-CB 3.04Å; M351-M354 PolarHBondContact O-N 2.9Å; M351-M354 HydrophobicContact SD-CE 3.85Å; M351-M354 HydrophobicContact SD-SD 4.29Å; M354-K356 PolarHBondContact O-N 3.46Å; M354-N357 WeakPolarHBondContact O-CB 3.02Å; M354-N357 PolarHBondContact O-N 2.89Å; M354-V362 HydrophobicContact CE-CG1 4.39Å; M354-V362 HydrophobicContact CG-CG2 4.09Å; M354-V362 HydrophobicContact SD-CB 4.08Å; M354-V362 HydrophobicContact SD-CG1 3.73Å; M354-V362 HydrophobicContact SD-CG2 3.86Å
355	N	71.6	Confident	86	Confident	112 Å²	112	52.7 Å²	52.7	60%	0.599	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.7	177.5	-83	0.3	0	0	0	113.9	L339 M351 N357	L339-N355 WeakPolarHBondContact CD2-ND2 3.21Å; M351-N355 PolarHBondContact O-N 3.1Å; N355-N357 VanDerWaalsContact C-N 3.29Å
356	K	74.8	Confident	85.9	Confident	166 Å²	166	54.4 Å²	54.4	72%	0.722	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-81.2	-10.6	174.9	-62.6	179.8	-178.3	179.3	0	112.6	L353 M354 A358	L353-K356 PolarHBondContact O-N 2.96Å; M354-K356 PolarHBondContact O-N 3.46Å; K356-A358 PolarHBondContact O-N 3.42Å
357	N	70.4	Confident	85.9	Confident	50 Å²	50	57.7 Å²	57.7	27%	0.267	33%	0.327	S	S	.	.			trans	-87.7	98.2	-176.2	-167.2	-11.8	0	0	0	112.1	M354 N355 Y359 H360	M354-N357 WeakPolarHBondContact O-CB 3.02Å; M354-N357 PolarHBondContact O-N 2.89Å; N355-N357 VanDerWaalsContact C-N 3.29Å; N357-Y359 VanDerWaalsContact C-N 3.3Å; N357-Y359 PolarHBondContact O-N 3.46Å; N357-Y359 PolarHBondContact OD1-N 3.47Å; N357-Y359 VanDerWaalsContact OD1-N 3.12Å; N357-H360 PolarHBondContact ND2-CD2 3.45Å; N357-H360 VanDerWaalsContact ND2-CD2 3.27Å
358	A	73.3	Confident	86	Confident	40 Å²	40	56.4 Å²	56.4	33%	0.331	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.5	-179.5	0	0	0	0	0	115.1	K306 K308 K356	K306-A358 HydrophobicContact CD-CB 3.75Å; K308-A358 WeakPolarHBondContact CD-O 3.43Å; K308-A358 WeakPolarHBondContact CE-O 3.35Å; K308-A358 PolarHBondContact NZ-O 2.84Å; K356-A358 PolarHBondContact O-N 3.42Å
359	Y	78.6	Confident	86.1	Confident	23 Å²	23	49.1 Å²	49.1	9%	0.09	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.2	-173.2	-67.9	-78.6	0	0	0	114.9	M1 W2 K306 K308 H309 N357	M1-Y359 HydrophobicContact CG-CD2 4.05Å; M1-Y359 HydrophobicContact CG-CE2 3.99Å; W2-Y359 HydrophobicContact CB-CD1 4.19Å; W2-Y359 HydrophobicContact CB-CG 4.33Å; W2-Y359 WeakPolarHBondContact O-CD1 3.12Å; W2-Y359 WeakPolarHBondContact O-CE1 3.37Å; W2-Y359 WeakPolarHBondContact O-CE2 3.49Å; W2-Y359 PolarHBondContact O-OH 3.07Å; K306-Y359 HydrophobicContact CB-CD1 4.19Å; K306-Y359 HydrophobicContact CB-CE1 3.92Å; K306-Y359 HydrophobicContact CD-CE1 3.84Å; K306-Y359 HydrophobicContact CD-CE2 4.01Å; K306-Y359 WeakPolarHBondContact CE-OH 3.33Å; K306-Y359 HydrophobicContact CG-CE1 4.06Å; K306-Y359 PolarHBondContact NZ-OH 2.8Å; K306-Y359 VanDerWaalsContact NZ-OH 3.09Å; K308-Y359 VanDerWaalsContact CA-O 3.32Å; K308-Y359 WeakPolarHBondContact CA-O 3.24Å; H309-Y359 PolarHBondContact N-O 3.18Å; N357-Y359 VanDerWaalsContact C-N 3.3Å; N357-Y359 PolarHBondContact O-N 3.46Å; N357-Y359 PolarHBondContact OD1-N 3.47Å; N357-Y359 VanDerWaalsContact OD1-N 3.12Å
360	H	81.3	Confident	86.3	Confident	33 Å²	33	53.4 Å²	53.4	15%	0.153	28%	0.283	C	S	.	.			trans	-112.5	156.2	172.9	-57.6	-57.7	0	0	0	109.7	K308 H309 T311 N357 V362	K308-H360 PolarHBondContact NZ-O 3.44Å; K308-H360 VanDerWaalsContact NZ-O 3.11Å; H309-H360 PolarHBondContact O-ND1 2.81Å; T311-H360 HydrophobicContact CG2-CB 4.07Å; N357-H360 PolarHBondContact ND2-CD2 3.45Å; N357-H360 VanDerWaalsContact ND2-CD2 3.27Å; H360-V362 HydrophobicContact CB-CG2 4.15Å
361	N	86.7	Confident	86.4	Confident	61 Å²	61	54.5 Å²	54.5	33%	0.326	29%	0.287	S	S	.	.			trans	-112.3	77.2	168.3	-173.4	-10.8	0	0	0	107.4	F297 K308 T363 A364 E365	F297-N361 HydrophobicContact CE1-CB 3.98Å; F297-N361 HydrophobicContact CZ-CB 3.93Å; K308-N361 HydrophobicContact CG-CB 4.42Å; N361-T363 PolarHBondContact O-N 3.16Å; N361-A364 HydrophobicContact CB-CB 4.05Å; N361-A364 VanDerWaalsContact CG-CB 3.5Å; N361-A364 WeakPolarHBondContact O-CB 3.39Å; N361-A364 PolarHBondContact O-N 3.42Å; N361-A364 PolarHBondContact OD1-N 3.22Å; N361-A364 VanDerWaalsContact OD1-N 3.14Å; N361-E365 PolarHBondContact O-N 3.34Å; N361-E365 VanDerWaalsContact O-N 3.09Å
362	V	86.4	Confident	86.8	Confident	23 Å²	23	54.5 Å²	54.5	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-31.2	-174	-169.6	0	0	0	0	110.8	Y334 F336 M354 H360 E365 Q366	Y334-V362 HydrophobicContact CD2-CG1 4.23Å; Y334-V362 HydrophobicContact CE2-CG1 4.35Å; F336-V362 HydrophobicContact CE1-CB 4.46Å; F336-V362 HydrophobicContact CE1-CG1 4.07Å; F336-V362 HydrophobicContact CZ-CB 4.5Å; F336-V362 HydrophobicContact CZ-CG1 3.74Å; M354-V362 HydrophobicContact CE-CG1 4.39Å; M354-V362 HydrophobicContact CG-CG2 4.09Å; M354-V362 HydrophobicContact SD-CB 4.08Å; M354-V362 HydrophobicContact SD-CG1 3.73Å; M354-V362 HydrophobicContact SD-CG2 3.86Å; H360-V362 HydrophobicContact CB-CG2 4.15Å; V362-E365 PolarHBondContact O-N 2.88Å; V362-Q366 HydrophobicContact CG1-CG 4.21Å; V362-Q366 VanDerWaalsContact O-CG 3.25Å; V362-Q366 WeakPolarHBondContact O-CG 3.24Å; V362-Q366 PolarHBondContact O-N 3.49Å
363	T	88.4	Confident	87.3	Confident	91 Å²	91	53.9 Å²	53.9	56%	0.558	28%	0.281	S	S	*	.	H	α-helix	trans	-58.5	-49.4	172.4	-51.7	0	0	0	0	111.8	N361 E365 Q366 L367	N361-T363 PolarHBondContact O-N 3.16Å; T363-E365 VanDerWaalsContact C-N 3.3Å; T363-E365 PolarHBondContact O-N 2.74Å; T363-Q366 PolarHBondContact O-N 3.47Å; T363-L367 HydrophobicContact CG2-CD1 4.37Å; T363-L367 WeakPolarHBondContact O-CG 3.46Å; T363-L367 PolarHBondContact O-N 2.93Å
364	A	91.6	Very high	87.8	Confident	22 Å²	22	55.6 Å²	55.6	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-38.7	176.5	0	0	0	0	0	112.1	F297 N361 L367 F368	F297-A364 HydrophobicContact CE1-CB 3.96Å; N361-A364 HydrophobicContact CB-CB 4.05Å; N361-A364 VanDerWaalsContact CG-CB 3.5Å; N361-A364 WeakPolarHBondContact O-CB 3.39Å; N361-A364 PolarHBondContact O-N 3.42Å; N361-A364 PolarHBondContact OD1-N 3.22Å; N361-A364 VanDerWaalsContact OD1-N 3.14Å; A364-L367 PolarHBondContact O-N 3.32Å; A364-F368 WeakPolarHBondContact O-CB 3.35Å; A364-F368 PolarHBondContact O-N 3.44Å
365	E	95	Very high	88.7	Confident	7 Å²	7	60.1 Å²	60.1	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-41	176.2	-63.6	-174.1	-168.2	0	0	112.4	L295 T311 I314 N361 V362 T363 F368 L369	L295-E365 HydrophobicContact CD1-CG 3.86Å; L295-E365 HydrophobicContact CD2-CB 4.38Å; L295-E365 HydrophobicContact CD2-CG 3.92Å; T311-E365 WeakPolarHBondContact CB-OE2 3.48Å; T311-E365 WeakPolarHBondContact CG2-OE1 3.44Å; T311-E365 WeakPolarHBondContact CG2-OE2 3.31Å; T311-E365 PolarHBondContact N-OE1 3.5Å; T311-E365 PolarHBondContact OG1-OE2 2.95Å; I314-E365 HydrophobicContact CD1-CB 4.18Å; I314-E365 HydrophobicContact CD1-CG 4.43Å; I314-E365 HydrophobicContact CG1-CB 4.04Å; I314-E365 HydrophobicContact CG1-CG 3.75Å; I314-E365 WeakPolarHBondContact CG1-OE2 3.34Å; N361-E365 PolarHBondContact O-N 3.34Å; N361-E365 VanDerWaalsContact O-N 3.09Å; V362-E365 PolarHBondContact O-N 2.88Å; T363-E365 VanDerWaalsContact C-N 3.3Å; T363-E365 PolarHBondContact O-N 2.74Å; E365-F368 PolarHBondContact O-N 2.89Å; E365-L369 WeakPolarHBondContact O-CB 3.2Å; E365-L369 VanDerWaalsContact O-CG 3.22Å; E365-L369 WeakPolarHBondContact O-CG 3.38Å; E365-L369 PolarHBondContact O-N 3.25Å
366	Q	93.7	Very high	89.9	Confident	41 Å²	41	61.3 Å²	61.3	19%	0.192	31%	0.312	C	S	.	.	H	α-helix	trans	-69	-35.7	177.3	-66.8	-69	-62.2	0	0	112.2	F332 F336 V362 T363 L369 K370	F332-Q366 PolarHBondContact O-NE2 3.18Å; F332-Q366 PolarHBondContact O-OE1 2.68Å; F336-Q366 HydrophobicContact CE2-CG 3.78Å; F336-Q366 HydrophobicContact CZ-CG 3.81Å; V362-Q366 HydrophobicContact CG1-CG 4.21Å; V362-Q366 VanDerWaalsContact O-CG 3.25Å; V362-Q366 WeakPolarHBondContact O-CG 3.24Å; V362-Q366 PolarHBondContact O-N 3.49Å; T363-Q366 PolarHBondContact O-N 3.47Å; Q366-L369 PolarHBondContact O-N 3.39Å; Q366-K370 WeakPolarHBondContact O-CB 3.49Å; Q366-K370 PolarHBondContact O-N 2.82Å
367	L	95	Very high	90.9	Very high	113 Å²	113	54.7 Å²	54.7	59%	0.592	28%	0.284	S	S	*	.	H	α-helix	trans	-64.4	-44	172.5	-71.1	172.7	0	0	0	111.4	T363 A364 K370 D371	T363-L367 HydrophobicContact CG2-CD1 4.37Å; T363-L367 WeakPolarHBondContact O-CG 3.46Å; T363-L367 PolarHBondContact O-N 2.93Å; A364-L367 PolarHBondContact O-N 3.32Å; L367-K370 PolarHBondContact O-N 2.92Å; L367-D371 PolarHBondContact O-N 3.42Å
368	F	96.7	Very high	92.3	Very high	18 Å²	18	52.6 Å²	52.6	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-48.3	173.9	166.8	-105	0	0	0	111.8	L294 L295 I314 F321 A364 E365 K370 D371 I372	L294-F368 HydrophobicContact CB-CD2 4.35Å; L294-F368 HydrophobicContact CB-CE2 3.82Å; L294-F368 HydrophobicContact CB-CZ 3.97Å; L294-F368 HydrophobicContact CD1-CE2 4.47Å; L294-F368 HydrophobicContact CD1-CZ 3.9Å; L294-F368 HydrophobicContact CD2-CE2 4.17Å; L294-F368 HydrophobicContact CD2-CZ 4.31Å; L294-F368 HydrophobicContact CG-CE2 4.37Å; L294-F368 HydrophobicContact CG-CZ 4.28Å; L295-F368 HydrophobicContact CD2-CB 3.74Å; L295-F368 HydrophobicContact CD2-CD1 4.14Å; L295-F368 HydrophobicContact CD2-CG 3.99Å; I314-F368 HydrophobicContact CD1-CD1 4.07Å; I314-F368 HydrophobicContact CD1-CE1 4.34Å; I314-F368 HydrophobicContact CG2-CE1 4.38Å; F321-F368 HydrophobicContact CE2-CZ 4.39Å; A364-F368 WeakPolarHBondContact O-CB 3.35Å; A364-F368 PolarHBondContact O-N 3.44Å; E365-F368 PolarHBondContact O-N 2.89Å; F368-K370 VanDerWaalsContact C-N 3.31Å; F368-K370 PolarHBondContact O-N 3.4Å; F368-D371 PolarHBondContact O-N 2.97Å; F368-I372 HydrophobicContact CD2-CG2 4.02Å; F368-I372 HydrophobicContact CE1-CD1 3.89Å; F368-I372 HydrophobicContact CE1-CG2 4.49Å; F368-I372 HydrophobicContact CE2-CG2 3.47Å; F368-I372 VanDerWaalsContact CE2-CG2 3.47Å; F368-I372 HydrophobicContact CZ-CD1 3.95Å; F368-I372 HydrophobicContact CZ-CG2 3.74Å; F368-I372 WeakPolarHBondContact O-CG1 3.11Å; F368-I372 PolarHBondContact O-N 2.94Å
369	L	97.1	Very high	93.4	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-43.7	177.8	-72.9	166.4	0	0	0	111.7	I314 I317 L329 F332 E365 Q366 I372 I373	I314-L369 HydrophobicContact CD1-CD1 4.36Å; I314-L369 HydrophobicContact CD1-CD2 4.18Å; I314-L369 HydrophobicContact CD1-CG 4.16Å; I317-L369 HydrophobicContact CD1-CD2 3.53Å; L329-L369 HydrophobicContact CD1-CD2 3.75Å; F332-L369 HydrophobicContact CB-CD1 4.05Å; F332-L369 HydrophobicContact CD1-CD1 4.12Å; F332-L369 HydrophobicContact CD1-CD2 4.31Å; E365-L369 WeakPolarHBondContact O-CB 3.2Å; E365-L369 VanDerWaalsContact O-CG 3.22Å; E365-L369 WeakPolarHBondContact O-CG 3.38Å; E365-L369 PolarHBondContact O-N 3.25Å; Q366-L369 PolarHBondContact O-N 3.39Å; L369-I372 HydrophobicContact CD2-CD1 4.37Å; L369-I372 VanDerWaalsContact O-CG1 3.28Å; L369-I372 WeakPolarHBondContact O-CG1 3.18Å; L369-I373 WeakPolarHBondContact O-CB 3.26Å; L369-I373 VanDerWaalsContact O-CD1 3.27Å; L369-I373 WeakPolarHBondContact O-CD1 3.28Å; L369-I373 WeakPolarHBondContact O-CG1 3.29Å; L369-I373 PolarHBondContact O-N 3.01Å; L369-I373 VanDerWaalsContact O-N 3.15Å
370	K	96	Very high	94.3	Very high	117 Å²	117	55.1 Å²	55.1	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-49.5	175.6	-178.1	-178.4	173	-177.3	0	111.1	Q366 L367 F368 I372 I373 E374	Q366-K370 WeakPolarHBondContact O-CB 3.49Å; Q366-K370 PolarHBondContact O-N 2.82Å; L367-K370 PolarHBondContact O-N 2.92Å; F368-K370 VanDerWaalsContact C-N 3.31Å; F368-K370 PolarHBondContact O-N 3.4Å; K370-I372 PolarHBondContact O-N 3.32Å; K370-I373 PolarHBondContact O-N 3.49Å; K370-E374 VanDerWaalsContact CE-CD 3.45Å; K370-E374 WeakPolarHBondContact CE-OE1 3.41Å; K370-E374 HydrophobicContact CG-CG 4.34Å; K370-E374 IonicContact NZ-OE1 2.71Å; K370-E374 WeakPolarHBondContact O-CB 3.37Å; K370-E374 WeakPolarHBondContact O-CG 3.26Å; K370-E374 PolarHBondContact O-N 2.94Å
371	D	96.9	Very high	95	Very high	61 Å²	61	54.9 Å²	54.9	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-47.3	-178.8	-177.9	72.2	0	0	0	112.6	L367 F368 I373 E374 K375	L367-D371 PolarHBondContact O-N 3.42Å; F368-D371 PolarHBondContact O-N 2.97Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 2.93Å; D371-E374 PolarHBondContact O-N 3.47Å; D371-K375 WeakPolarHBondContact O-CB 3.34Å; D371-K375 WeakPolarHBondContact O-CG 3.42Å; D371-K375 PolarHBondContact O-N 3.47Å; D371-K375 WeakPolarHBondContact OD1-CE 3.38Å; D371-K375 IonicContact OD1-NZ 2.79Å; D371-K375 PolarHBondContact OD1-NZ 3.09Å; D371-K375 IonicContact OD2-NZ 2.82Å; D371-K375 PolarHBondContact OD2-NZ 3.41Å
372	I	97.4	Very high	95.3	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-28.1	-179	65.1	170.9	0	0	0	113	L107 F321 L329 F368 L369 K370 L377 V378	L107-I372 HydrophobicContact CD1-CG2 4.24Å; F321-I372 HydrophobicContact CZ-CD1 4.2Å; L329-I372 HydrophobicContact CD1-CD1 4.4Å; F368-I372 HydrophobicContact CD2-CG2 4.02Å; F368-I372 HydrophobicContact CE1-CD1 3.89Å; F368-I372 HydrophobicContact CE1-CG2 4.49Å; F368-I372 HydrophobicContact CE2-CG2 3.47Å; F368-I372 VanDerWaalsContact CE2-CG2 3.47Å; F368-I372 HydrophobicContact CZ-CD1 3.95Å; F368-I372 HydrophobicContact CZ-CG2 3.74Å; F368-I372 WeakPolarHBondContact O-CG1 3.11Å; F368-I372 PolarHBondContact O-N 2.94Å; L369-I372 HydrophobicContact CD2-CD1 4.37Å; L369-I372 VanDerWaalsContact O-CG1 3.28Å; L369-I372 WeakPolarHBondContact O-CG1 3.18Å; K370-I372 PolarHBondContact O-N 3.32Å; I372-L377 HydrophobicContact CB-CB 4.24Å; I372-L377 HydrophobicContact CB-CD1 4.26Å; I372-L377 HydrophobicContact CG2-CD1 4.13Å; I372-L377 WeakPolarHBondContact O-CB 3.45Å; I372-L377 PolarHBondContact O-N 3.19Å; I372-V378 HydrophobicContact CB-CG2 4.32Å; I372-V378 HydrophobicContact CD1-CG1 4.11Å; I372-V378 HydrophobicContact CD1-CG2 3.68Å; I372-V378 HydrophobicContact CG1-CG2 3.69Å; I372-V378 PolarHBondContact O-N 3.41Å
373	I	96.9	Very high	94.9	Very high	31 Å²	31	56.7 Å²	56.7	16%	0.159	29%	0.286	C	S	.	.	H	α-helix	trans	-73.6	-48.6	174.5	-69.2	164	0	0	0	109.9	L369 K370 D371 K375 N376 V378 N380	L369-I373 WeakPolarHBondContact O-CB 3.26Å; L369-I373 VanDerWaalsContact O-CD1 3.27Å; L369-I373 WeakPolarHBondContact O-CD1 3.28Å; L369-I373 WeakPolarHBondContact O-CG1 3.29Å; L369-I373 PolarHBondContact O-N 3.01Å; L369-I373 VanDerWaalsContact O-N 3.15Å; K370-I373 PolarHBondContact O-N 3.49Å; D371-I373 VanDerWaalsContact C-N 3.32Å; D371-I373 PolarHBondContact O-N 2.93Å; I373-K375 PolarHBondContact O-N 3.48Å; I373-N376 PolarHBondContact O-N 3.3Å; I373-V378 HydrophobicContact CG1-CG2 3.75Å; I373-N380 HydrophobicContact CD1-CB 3.81Å; I373-N380 HydrophobicContact CG1-CB 4.22Å; I373-N380 HydrophobicContact CG2-CB 4.47Å
374	E	96.8	Very high	93.4	Very high	126 Å²	126	61.1 Å²	61.1	59%	0.589	31%	0.306	S	S	*	.	H	α-helix	trans	-62.4	-32	179.9	-73.9	178.3	164.1	0	0	112.3	K370 D371 N376	K370-E374 VanDerWaalsContact CE-CD 3.45Å; K370-E374 WeakPolarHBondContact CE-OE1 3.41Å; K370-E374 HydrophobicContact CG-CG 4.34Å; K370-E374 IonicContact NZ-OE1 2.71Å; K370-E374 WeakPolarHBondContact O-CB 3.37Å; K370-E374 WeakPolarHBondContact O-CG 3.26Å; K370-E374 PolarHBondContact O-N 2.94Å; D371-E374 PolarHBondContact O-N 3.47Å; E374-N376 PolarHBondContact O-N 3.07Å
375	K	97.4	Very high	93.5	Very high	120 Å²	120	63.1 Å²	63.1	52%	0.522	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	3.7	174	-71	173.3	-179.7	163.1	0	114.1	D371 I373 L377	D371-K375 WeakPolarHBondContact O-CB 3.34Å; D371-K375 WeakPolarHBondContact O-CG 3.42Å; D371-K375 PolarHBondContact O-N 3.47Å; D371-K375 WeakPolarHBondContact OD1-CE 3.38Å; D371-K375 IonicContact OD1-NZ 2.79Å; D371-K375 PolarHBondContact OD1-NZ 3.09Å; D371-K375 IonicContact OD2-NZ 2.82Å; D371-K375 PolarHBondContact OD2-NZ 3.41Å; I373-K375 PolarHBondContact O-N 3.48Å; K375-L377 HydrophobicContact CB-CD1 4.25Å; K375-L377 HydrophobicContact CB-CD2 4.26Å; K375-L377 HydrophobicContact CB-CG 3.8Å; K375-L377 PolarHBondContact O-N 3.38Å
376	N	96.8	Very high	93.4	Very high	137 Å²	137	66 Å²	66	73%	0.733	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	32	-176.6	-58.4	-64.5	0	0	0	113.6	I373 E374	I373-N376 PolarHBondContact O-N 3.3Å; E374-N376 PolarHBondContact O-N 3.07Å
377	L	97.6	Very high	93.4	Very high	26 Å²	26	67.4 Å²	67.4	14%	0.136	34%	0.335	C	S	.	.	S	Bend	trans	-78.5	-27.6	174.8	-52.5	-176.1	0	0	0	111	A103 F104 L107 I372 K375	A103-L377 HydrophobicContact CB-CD2 4.42Å; A103-L377 WeakPolarHBondContact O-CD2 3.5Å; F104-L377 HydrophobicContact CB-CB 4.3Å; F104-L377 WeakPolarHBondContact CD1-O 3.41Å; L107-L377 HydrophobicContact CD1-CD1 3.84Å; L107-L377 HydrophobicContact CD2-CD1 4.48Å; L107-L377 HydrophobicContact CG-CD1 4.25Å; I372-L377 HydrophobicContact CB-CB 4.24Å; I372-L377 HydrophobicContact CB-CD1 4.26Å; I372-L377 HydrophobicContact CG2-CD1 4.13Å; I372-L377 WeakPolarHBondContact O-CB 3.45Å; I372-L377 PolarHBondContact O-N 3.19Å; K375-L377 HydrophobicContact CB-CD1 4.25Å; K375-L377 HydrophobicContact CB-CD2 4.26Å; K375-L377 HydrophobicContact CB-CG 3.8Å; K375-L377 PolarHBondContact O-N 3.38Å
378	V	97.9	Very high	93.3	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.036	32%	0.32	C	S	.	.	S	Bend	trans	-139.1	159.9	176.2	-60.7	0	0	0	0	110.1	F321 V327 L329 I372 I373	F321-V378 HydrophobicContact CE1-CG1 3.54Å; F321-V378 HydrophobicContact CZ-CG1 3.87Å; V327-V378 HydrophobicContact CB-CG1 4.14Å; V327-V378 HydrophobicContact CG1-CG1 4.14Å; V327-V378 WeakPolarHBondContact O-CA 3.23Å; V327-V378 WeakPolarHBondContact O-CB 3.39Å; L329-V378 HydrophobicContact CD1-CB 4.41Å; L329-V378 HydrophobicContact CD1-CG2 3.77Å; L329-V378 HydrophobicContact CG-CB 4.34Å; L329-V378 HydrophobicContact CG-CG2 4.19Å; I372-V378 HydrophobicContact CB-CG2 4.32Å; I372-V378 HydrophobicContact CD1-CG1 4.11Å; I372-V378 HydrophobicContact CD1-CG2 3.68Å; I372-V378 HydrophobicContact CG1-CG2 3.69Å; I372-V378 PolarHBondContact O-N 3.41Å; I373-V378 HydrophobicContact CG1-CG2 3.75Å
379	I	97.5	Very high	93.1	Very high	84 Å²	84	67.6 Å²	67.6	43%	0.431	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.8	175.5	-66.1	163	0	0	0	109.4	V327 H328 L329 L381	V327-I379 PolarHBondContact O-N 3.05Å; V327-I379 VanDerWaalsContact O-N 3.13Å; H328-I379 CarbonylContact C-O 3.59Å; H328-I379 WeakPolarHBondContact CA-O 3.27Å; H328-I379 WeakPolarHBondContact CE1-CD1 3.49Å; H328-I379 WeakPolarHBondContact ND1-CB 3.34Å; H328-I379 WeakPolarHBondContact ND1-CG2 3.37Å; H328-I379 WeakPolarHBondContact NE2-CD1 3.5Å; L329-I379 PolarHBondContact N-O 3.08Å; I379-L381 HydrophobicContact CG2-CD2 4.36Å
380	N	96.7	Very high	92.8	Very high	32 Å²	32	71.7 Å²	71.7	17%	0.171	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114	177	-179.1	10	0	0	0	110.5	L329 I373 T382 Q383	L329-N380 PolarHBondContact O-OD1 2.73Å; I373-N380 HydrophobicContact CD1-CB 3.81Å; I373-N380 HydrophobicContact CG1-CB 4.22Å; I373-N380 HydrophobicContact CG2-CB 4.47Å; N380-T382 VanDerWaalsContact C-N 3.26Å; N380-T382 PolarHBondContact O-N 3.45Å; N380-T382 PolarHBondContact OD1-N 3.43Å; N380-Q383 HydrophobicContact CB-CG 4.04Å
381	L	96.8	Very high	92.6	Very high	28 Å²	28	68.4 Å²	68.4	15%	0.147	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.2	179.9	-60.5	-179.6	0	0	0	113.4	V172 L185 Y192 H328 L329 A330 I379	V172-L381 HydrophobicContact CG2-CD1 3.87Å; L185-L381 HydrophobicContact CD1-CB 4.36Å; L185-L381 HydrophobicContact CD2-CB 4.48Å; Y192-L381 HydrophobicContact CE2-CD1 4.01Å; H328-L381 HydrophobicContact CB-CD1 4.09Å; H328-L381 HydrophobicContact CB-CG 4.12Å; H328-L381 WeakPolarHBondContact ND1-CD2 3.46Å; L329-L381 PolarHBondContact O-N 3.34Å; A330-L381 HydrophobicContact CB-CB 4.41Å; I379-L381 HydrophobicContact CG2-CD2 4.36Å
382	T	93	Very high	92.3	Very high	1 Å²	1	69 Å²	69	1%	0.006	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	24.6	-177.9	-43.7	0	0	0	0	112.2	V179 A330 G331 N380	V179-T382 HydrophobicContact CB-CG2 3.96Å; V179-T382 HydrophobicContact CG1-CG2 3.46Å; V179-T382 VanDerWaalsContact CG1-CG2 3.46Å; V179-T382 HydrophobicContact CG2-CG2 3.42Å; V179-T382 VanDerWaalsContact CG2-CG2 3.42Å; A330-T382 WeakPolarHBondContact CA-OG1 3.34Å; G331-T382 PolarHBondContact N-OG1 3.46Å; N380-T382 VanDerWaalsContact C-N 3.26Å; N380-T382 PolarHBondContact O-N 3.45Å; N380-T382 PolarHBondContact OD1-N 3.43Å
383	Q	78.8	Confident	91.8	Very high	121 Å²	121	74.7 Å²	74.7	57%	0.565	37%	0.373	S	S	*	.			trans	-76.5	148.5	163.6	-66.3	-174.1	-12	0	0	109.2	N380	N380-Q383 HydrophobicContact CB-CG 4.04Å
384	D	56.2	Low	91.4	Very high	184 Å²	184	78.6 Å²	78.6	98%	0.984	39%	0.393	S	S	*	.			trans	-79.3	0	-178.9	-65.3	-48.9	0	0	0	111.7	K183	K183-D384 IonicContact NZ-OD1 3.4Å; K183-D384 PolarHBondContact NZ-OD1 2.85Å

Retrieved 384 of 384 residues in 296.2 ms (Link to these results)

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