A0A087XM38_POEFO Loading...

N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D

D-type phospholipase that hydrolyzes N-acyl-phosphatidylethanolamines (NAPEs) to produce bioactive N-acylethanolamines/fatty acid ethanolamides (NAEs/FAEs) and phosphatidic acid. Cleaves the terminal phosphodiester bond of diacyl- and alkenylacyl-NAPEs, primarily playing a role in the generation of long-chain saturated and monounsaturated NAEs in the brain. May control NAPE homeostasis in dopaminergic neuron membranes and regulate neuron survival, partly through RAC1 activation. As a regulator of lipid metabolism in the adipose tissue, mediates the crosstalk between adipocytes, gut microbiota and immune cells to control body temperature and weight. In particular, regulates energy homeostasis by promoting cold-induced brown or beige adipocyte differentiation program to generate heat from fatty acids and glucose. Has limited D-type phospholipase activity toward N-acyl lyso-NAPEs.

AlphaFold DB , UniProt , Accession A0A087XM38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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	33.8	Very low	32	Very low	251 Å²	251	163.4 Å²	163.4	100%	1.236	83%	0.833	S	S	*	*				0	141.5	0	-95.2	171.8	155.4	0	0	108.8
2	E	30.5	Very low	31.5	Very low	198 Å²	198	164.2 Å²	164.2	93%	0.925	84%	0.839	S	S	*	*			trans	-75.9	158.8	-160.5	-70.7	160.9	120.6	0	0	116
3	K	33.1	Very low	31.2	Very low	191 Å²	191	165.8 Å²	165.8	83%	0.83	84%	0.841	S	S	*	*			trans	-45.1	168.6	166.3	-95	-178.9	-175	-178.7	0	115.4
4	P	43.7	Very low	31	Very low	108 Å²	108	166.9 Å²	166.9	70%	0.701	84%	0.841	S	S	*	*				-151.5	152.4	58.9	38	-13.9	0	0	0	118.7
5	K	33.3	Very low	30.7	Very low	193 Å²	193	165.5 Å²	165.5	84%	0.839	85%	0.845	S	S	*	*				68.5	146.8	103.5	-62.6	-178.9	178.2	-178.1	0	113.8
6	S	34.8	Very low	30.4	Very low	106 Å²	106	163.6 Å²	163.6	74%	0.741	84%	0.844	S	S	*	*			cis	-166.7	166.5	0.8	43.3	0	0	0	0	103.8
7	S	30.7	Very low	30.1	Very low	89 Å²	89	157.9 Å²	157.9	62%	0.622	84%	0.835	S	S	*	*				179	136.8	54	46.2	0	0	0	0	109.7
8	D	29	Very low	29.9	Very low	147 Å²	147	159.1 Å²	159.1	79%	0.786	84%	0.841	S	S	*	*			trans	63.6	115	132.1	-52.3	-21.6	0	0	0	119.2
9	R	28.6	Very low	29.8	Very low	245 Å²	245	158.2 Å²	158.2	93%	0.925	84%	0.842	S	S	*	*				56.9	108.4	56.2	-140.3	-176.7	-169.3	-173.7	1.8	109.6
10	A	27	Very low	29.7	Very low	83 Å²	83	159.9 Å²	159.9	69%	0.686	84%	0.844	S	S	*	*				-161.2	174.6	60.9	0	0	0	0	0	107.7
11	E	27.4	Very low	29.5	Very low	186 Å²	186	160.5 Å²	160.5	87%	0.869	85%	0.848	S	S	*	*			cis	-173.3	146.3	47.2	-142	154.5	-143.9	0	0	109.1
12	L	25.8	Very low	29.1	Very low	173 Å²	173	151.9 Å²	151.9	91%	0.906	82%	0.824	S	S	*	*			trans	-91.4	133.9	172.4	-87.1	138.5	0	0	0	108.1
13	E	28.3	Very low	28.8	Very low	186 Å²	186	150.5 Å²	150.5	87%	0.869	82%	0.823	S	S	*	*			trans	-125.2	122	160.2	-83.8	-170.8	153.4	0	0	110.6
14	E	28.4	Very low	28.5	Very low	180 Å²	180	149.1 Å²	149.1	84%	0.841	82%	0.824	S	S	*	*			trans	-64.1	142.2	161.3	-74.1	177.6	129.1	0	0	110.3
15	T	26.2	Very low	27.7	Very low	146 Å²	146	150 Å²	150	90%	0.896	83%	0.829	S	S	*	*			trans	-132	110	155.6	26.3	0	0	0	0	109.5
16	T	25.3	Very low	27.4	Very low	136 Å²	136	150.2 Å²	150.2	83%	0.834	83%	0.833	S	S	*	*			trans	-98.6	141.4	162.9	40	0	0	0	0	108.4
17	G	25.3	Very low	26.9	Very low	67 Å²	67	149 Å²	149	69%	0.691	84%	0.838	S	S	*	*			trans	-167.1	94.3	167.9	0	0	0	0	0	107.3
18	L	27.2	Very low	26.8	Very low	178 Å²	178	149.8 Å²	149.8	93%	0.932	85%	0.85	S	S	*	*				59.3	99.7	91.1	-69.4	177.5	0	0	0	112.6
19	V	27.3	Very low	26.8	Very low	143 Å²	143	152.3 Å²	152.3	87%	0.867	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-94.5	127.3	165.9	175.2	0	0	0	0	106.7
20	E	27.7	Very low	26.6	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-86.2	147.7	172.1	-81.1	-174.6	141.9	0	0	112
21	D	27	Very low	26.6	Very low	173 Å²	173	144.3 Å²	144.3	93%	0.925	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-66.4	159.1	-177	-76.1	-50.8	0	0	0	115.6
22	G	23.9	Very low	26.6	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	86%	0.862	S	S	*	*			trans	-178.9	107.5	159.1	0	0	0	0	0	114.8
23	D	25.8	Very low	26.9	Very low	169 Å²	169	144.4 Å²	144.4	90%	0.904	86%	0.86	S	S	*	*			trans	88	90.2	154.2	-62.3	-17	0	0	0	121.2
24	L	25	Very low	27	Very low	163 Å²	163	142.1 Å²	142.1	85%	0.853	85%	0.854	S	S	*	*			trans	-90.1	158.2	143.2	-83.8	160.8	0	0	0	110.2
25	P	28.1	Very low	27.4	Very low	126 Å²	126	138.6 Å²	138.6	82%	0.818	85%	0.847	S	S	*	*				-125.4	145.3	129.4	11.1	8.7	0	0	0	113.7
26	Q	26.8	Very low	27.8	Very low	197 Å²	197	142.4 Å²	142.4	92%	0.921	85%	0.845	S	S	*	*			trans	-78.1	161.6	179.7	-69.6	172.2	-40.2	0	0	114.5
27	G	25.1	Very low	28.1	Very low	81 Å²	81	142.3 Å²	142.3	84%	0.835	85%	0.845	S	S	*	*			trans	127.9	125.8	153.2	0	0	0	0	0	112.1
28	A	27	Very low	28.5	Very low	106 Å²	106	144.9 Å²	144.9	88%	0.876	85%	0.849	S	S	*	*			cis	-158.4	165.6	15.3	0	0	0	0	0	111.1
29	E	29.1	Very low	28.5	Very low	199 Å²	199	148.5 Å²	148.5	93%	0.93	85%	0.85	S	S	*	*			trans	-70.2	158.5	-171.5	-58	174.2	128.5	0	0	116.1
30	G	25.5	Very low	28.7	Very low	85 Å²	85	151.7 Å²	151.7	88%	0.876	85%	0.852	S	S	*	*				109.6	101.9	129.9	0	0	0	0	0	118.1
31	G	25.8	Very low	28.8	Very low	75 Å²	75	148.1 Å²	148.1	77%	0.773	85%	0.849	S	S	*	*			trans	-173	103.5	163.4	0	0	0	0	0	113.7
32	K	27.8	Very low	28.9	Very low	218 Å²	218	145.5 Å²	145.5	95%	0.948	84%	0.844	S	S	*	*			trans	-52.3	140	175.5	-79.9	172.3	171.2	174.7	0	112.7
33	V	32.8	Very low	29.3	Very low	143 Å²	143	146.9 Å²	146.9	87%	0.867	84%	0.842	S	S	*	*			trans	-91	121.1	173.3	180	0	0	0	0	109.7
34	D	30.8	Very low	29.4	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	84%	0.839	S	S	*	*			trans	-115.6	125.6	163.5	-172.1	-17.6	0	0	0	108.3	R36	D34-R36 PolarHBondContact O-N 3.41Å
35	P	37.1	Very low	30	Very low	106 Å²	106	147.9 Å²	147.9	69%	0.688	84%	0.84	S	S	*	*			trans	-89.2	89.6	-172.5	34.8	-33.5	0	0	0	111.1
36	R	34.2	Very low	30.1	Very low	226 Å²	226	146.7 Å²	146.7	85%	0.853	84%	0.835	S	S	*	*			trans	-168.2	76.5	165.7	-110.5	169.9	-122.8	-169.6	-0.5	113.2	D34	D34-R36 PolarHBondContact O-N 3.41Å
37	T	30.4	Very low	30.6	Very low	135 Å²	135	142.5 Å²	142.5	83%	0.828	83%	0.828	S	S	*	*			trans	-164.5	138	152.8	15.8	0	0	0	0	111.2
38	P	33.3	Very low	31.3	Very low	121 Å²	121	149.1 Å²	149.1	79%	0.786	83%	0.827	S	S	*	*			trans	-76.7	133.2	-177.2	30.2	-31.2	0	0	0	111.4	K40	P38-K40 PolarHBondContact O-N 3.38Å
39	R	29.2	Very low	31.7	Very low	254 Å²	254	153.9 Å²	153.9	96%	0.958	83%	0.828	S	S	*	*			trans	-64.8	115.7	173.9	-77.6	179.1	173	179.2	-3	109.8	S41	R39-S41 PolarHBondContact O-N 3.4Å
40	K	30.2	Very low	32.2	Very low	209 Å²	209	148.6 Å²	148.6	91%	0.909	81%	0.813	S	S	*	*			trans	-74.3	112.8	162.1	-73.8	-179.1	176.6	178.5	0	108.1	P38	P38-K40 PolarHBondContact O-N 3.38Å
41	S	30.8	Very low	33.3	Very low	116 Å²	116	149.7 Å²	149.7	81%	0.811	79%	0.794	S	S	*	*			trans	-75.6	121	168.1	52.1	0	0	0	0	109.2	R39 S43	R39-S41 PolarHBondContact O-N 3.4Å; S41-S43 PolarHBondContact O-N 3.49Å
42	S	28.6	Very low	34.6	Very low	119 Å²	119	155.7 Å²	155.7	83%	0.832	79%	0.794	S	S	*	*			trans	-76.8	98.5	172.2	53.4	0	0	0	0	109.2	S44	S42-S44 PolarHBondContact O-N 3.13Å
43	S	31.4	Very low	36	Very low	98 Å²	98	146.4 Å²	146.4	69%	0.685	75%	0.754	S	S	*	*			trans	-73.2	106.1	169.9	63	0	0	0	0	109.7	S41 R45	S41-S43 PolarHBondContact O-N 3.49Å; S43-R45 PolarHBondContact O-N 3.47Å
44	S	29.2	Very low	37	Very low	118 Å²	118	147.4 Å²	147.4	83%	0.825	75%	0.754	S	S	*	*			trans	-70.7	94.7	163.3	55.7	0	0	0	0	108.6	S42 S46	S42-S44 PolarHBondContact O-N 3.13Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.48Å
45	R	36.6	Very low	38.7	Very low	236 Å²	236	142.4 Å²	142.4	89%	0.891	73%	0.725	S	S	*	*			trans	-66.6	89.8	169.2	-85.4	178.2	165.9	171.5	-4.2	109.3	S43 S47	S43-R45 PolarHBondContact O-N 3.47Å; R45-S47 PolarHBondContact O-N 3.19Å
46	S	30.6	Very low	40	Very low	101 Å²	101	145.7 Å²	145.7	71%	0.706	72%	0.724	S	S	*	*			trans	-79.6	110.8	155.9	-176.9	0	0	0	0	107.5	S44 R48	S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.48Å; S46-R48 PolarHBondContact O-N 3.27Å
47	S	37.8	Very low	41.2	Very low	109 Å²	109	140.4 Å²	140.4	76%	0.762	71%	0.712	S	S	*	*			trans	-68.9	91.4	179	116.9	0	0	0	0	108.8	R45	R45-S47 PolarHBondContact O-N 3.19Å
48	R	40.2	Very low	42.6	Very low	219 Å²	219	137.4 Å²	137.4	83%	0.826	69%	0.689	S	S	*	*			trans	-78.3	121	160.1	-70.6	-177.3	-175.1	166.4	1.4	106.7	S46 S50	S46-R48 PolarHBondContact O-N 3.27Å; R48-S50 VanDerWaalsContact C-N 3.26Å; R48-S50 PolarHBondContact O-N 3.2Å
49	K	34.2	Very low	43.9	Very low	206 Å²	206	141 Å²	141	90%	0.896	70%	0.695	S	S	*	*			trans	-64.8	90.3	170.3	-74.1	178.5	176.8	177.6	0	107.2	F51	K49-F51 PolarHBondContact O-N 3.31Å
50	S	40.9	Very low	46	Very low	89 Å²	89	137.4 Å²	137.4	62%	0.622	69%	0.689	S	S	*	*			trans	-67.3	130.1	172.5	61.8	0	0	0	0	108.3	R48 R52	R48-S50 VanDerWaalsContact C-N 3.26Å; R48-S50 PolarHBondContact O-N 3.2Å; S50-R52 VanDerWaalsContact C-N 3.3Å; S50-R52 PolarHBondContact O-N 3.31Å
51	F	47.5	Very low	48.8	Very low	108 Å²	108	128.6 Å²	128.6	47%	0.474	65%	0.653	S	S	.	*			trans	-64.1	97.4	163.7	-179	-99.9	0	0	0	106.5	K49 L53 N249 P281	K49-F51 PolarHBondContact O-N 3.31Å; F51-L53 HydrophobicContact CD1-CD1 3.95Å; F51-L53 HydrophobicContact CD1-CG 4.49Å; F51-L53 HydrophobicContact CE1-CD1 3.73Å; F51-L53 HydrophobicContact CE1-CG 3.99Å; F51-L53 PolarHBondContact O-N 2.73Å; F51-N249 HydrophobicContact CD1-CB 4.32Å; F51-P281 HydrophobicContact CZ-CB 4.42Å
52	R	53.2	Low	51.8	Low	201 Å²	201	124.6 Å²	124.6	76%	0.758	62%	0.624	S	S	*	*			trans	-79.2	105.7	174.9	-109.3	-180	166.6	173	-5.5	107.5	S50 D54	S50-R52 VanDerWaalsContact C-N 3.3Å; S50-R52 PolarHBondContact O-N 3.31Å; R52-D54 PolarHBondContact O-N 3.11Å
53	L	57.5	Low	55	Low	22 Å²	22	126.3 Å²	126.3	12%	0.115	62%	0.616	C	S	.	*			trans	-57.8	132.6	163.2	-97.2	108.1	0	0	0	108.5	F51 Y55 L279	F51-L53 HydrophobicContact CD1-CD1 3.95Å; F51-L53 HydrophobicContact CD1-CG 4.49Å; F51-L53 HydrophobicContact CE1-CD1 3.73Å; F51-L53 HydrophobicContact CE1-CG 3.99Å; F51-L53 PolarHBondContact O-N 2.73Å; L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 HydrophobicContact CB-CD1 3.94Å; L53-Y55 HydrophobicContact CB-CE1 4.49Å; L53-Y55 PolarHBondContact O-N 2.65Å; L53-L279 HydrophobicContact CD1-CB 4.28Å; L53-L279 HydrophobicContact CD2-CB 4.05Å
54	D	54.3	Low	58	Low	164 Å²	164	122.7 Å²	122.7	88%	0.877	59%	0.591	S	S	*	*			trans	-78.3	82.7	176.9	-163.6	6.3	0	0	0	108.9	R52	R52-D54 PolarHBondContact O-N 3.11Å
55	Y	65.1	Low	61.2	Low	33 Å²	33	119.3 Å²	119.3	13%	0.129	57%	0.567	C	S	.	*			trans	-115.3	153	171.7	66.9	-110.1	0	0	0	109.9	L53 L57 E241 L279 R303 F304	L53-Y55 VanDerWaalsContact C-N 3.3Å; L53-Y55 HydrophobicContact CB-CD1 3.94Å; L53-Y55 HydrophobicContact CB-CE1 4.49Å; L53-Y55 PolarHBondContact O-N 2.65Å; Y55-L57 HydrophobicContact CE2-CD2 3.94Å; Y55-L57 PolarHBondContact O-N 3.18Å; Y55-E241 PolarHBondContact OH-OE2 3.25Å; Y55-L279 HydrophobicContact CD1-CD1 4.06Å; Y55-L279 HydrophobicContact CE1-CD1 4.21Å; Y55-R303 WeakPolarHBondContact CB-O 3.29Å; Y55-R303 HydrophobicContact CD2-CG 4.25Å; Y55-F304 HydrophobicContact CD1-CD1 4.21Å; Y55-F304 HydrophobicContact CD1-CE1 4.06Å; Y55-F304 HydrophobicContact CD2-CD1 4Å; Y55-F304 AromaticContact CD2-CE1 3.59Å; Y55-F304 HydrophobicContact CD2-CE1 3.59Å; Y55-F304 HydrophobicContact CE1-CE1 4.04Å; Y55-F304 HydrophobicContact CE2-CD1 4.45Å; Y55-F304 AromaticContact CE2-CE1 3.62Å; Y55-F304 HydrophobicContact CE2-CE1 3.62Å; Y55-F304 HydrophobicContact CE2-CZ 4.42Å; Y55-F304 AromaticContact CG-CD1 3.9Å; Y55-F304 HydrophobicContact CG-CD1 3.9Å; Y55-F304 AromaticContact CG-CE1 3.85Å; Y55-F304 HydrophobicContact CG-CE1 3.85Å; Y55-F304 AromaticContact CZ-CE1 3.84Å
56	R	64.1	Low	64	Low	175 Å²	175	112.9 Å²	112.9	66%	0.66	55%	0.547	S	S	*	.			trans	-69.8	114.5	-170.6	-64.4	178.2	-174.5	172.8	3.8	110.5	E58 R303	R56-E58 PolarHBondContact O-N 2.99Å; R56-E58 VanDerWaalsContact O-N 3.11Å; R56-R303 WeakPolarHBondContact O-CG 3.47Å
57	L	60.8	Low	67.1	Low	116 Å²	116	110.9 Å²	110.9	61%	0.607	53%	0.528	S	S	*	.			trans	-79.9	85.5	168.9	-67.7	167.8	0	0	0	108.4	Y55	Y55-L57 HydrophobicContact CE2-CD2 3.94Å; Y55-L57 PolarHBondContact O-N 3.18Å
58	E	58.3	Low	69.8	Low	72 Å²	72	114.6 Å²	114.6	34%	0.336	53%	0.531	S	S	.	.			trans	-78.4	141.4	166.2	-75.7	-174.1	-178.4	0	0	110.2	R56 R302	R56-E58 PolarHBondContact O-N 2.99Å; R56-E58 VanDerWaalsContact O-N 3.11Å; E58-R302 VanDerWaalsContact CD-NH1 3.34Å; E58-R302 IonicContact OE1-NH1 3.72Å; E58-R302 PolarHBondContact OE1-NH1 3.41Å; E58-R302 IonicContact OE2-CZ 2.66Å; E58-R302 IonicContact OE2-NH1 3.59Å; E58-R302 PolarHBondContact OE2-NH1 3.41Å; E58-R302 IonicContact OE2-NH2 3.14Å
59	E	60.7	Low	72.4	Confident	196 Å²	196	110.6 Å²	110.6	92%	0.916	52%	0.521	S	S	*	.	S	Bend	trans	-82	-12.3	-172.6	-71.1	-174.6	153.5	0	0	114.3
60	E	74.6	Confident	75.3	Confident	178 Å²	178	102.3 Å²	102.3	83%	0.832	49%	0.494	S	S	*	.			trans	-125.7	83.8	-178.9	-66.2	-168.5	166.8	0	0	111.7
61	V	89.1	Confident	78	Confident	25 Å²	25	101.8 Å²	101.8	15%	0.152	48%	0.479	C	S	.	.			trans	-100.5	150.4	164.2	-68.5	0	0	0	0	110.7	K63 W239	V61-K63 PolarHBondContact O-N 3.47Å; V61-W239 HydrophobicContact CB-CD2 4.15Å; V61-W239 HydrophobicContact CB-CG 4.49Å; V61-W239 HydrophobicContact CB-CH2 4.42Å; V61-W239 HydrophobicContact CB-CZ2 3.72Å; V61-W239 HydrophobicContact CG1-CD2 4.42Å; V61-W239 HydrophobicContact CG1-CH2 4.31Å; V61-W239 HydrophobicContact CG1-CZ2 4.09Å; V61-W239 HydrophobicContact CG2-CD2 3.99Å; V61-W239 HydrophobicContact CG2-CG 3.82Å; V61-W239 HydrophobicContact CG2-CZ2 4.41Å
62	T	93.5	Very high	80.3	Confident	32 Å²	32	97.6 Å²	97.6	20%	0.196	46%	0.46	C	S	.	.			trans	-64.4	115.7	175.5	-65	0	0	0	0	109.9	P75 W76 W239 E299	T62-P75 HydrophobicContact CG2-CB 4.04Å; T62-P75 HydrophobicContact CG2-CG 3.37Å; T62-W76 HydrophobicContact CG2-CZ2 3.93Å; T62-W239 PolarHBondContact O-NE1 2.99Å; T62-E299 WeakPolarHBondContact CB-OE2 3.2Å; T62-E299 PolarHBondContact N-OE2 3.13Å; T62-E299 PolarHBondContact OG1-OE1 3.39Å; T62-E299 PolarHBondContact OG1-OE2 3.09Å
63	K	94.8	Very high	82.4	Confident	155 Å²	155	90.3 Å²	90.3	67%	0.674	44%	0.438	S	S	*	.			trans	-86.8	153.8	179.4	-61.4	-175.1	-177.4	178.3	0	111.6	V61	V61-K63 PolarHBondContact O-N 3.47Å
64	S	95.8	Very high	84.3	Confident	22 Å²	22	90.1 Å²	90.1	15%	0.154	44%	0.437	C	S	.	.			trans	-62.8	152.2	168.1	65.4	0	0	0	0	109.9	W72 D237	S64-W72 WeakPolarHBondContact OG-CZ3 3.25Å; S64-D237 WeakPolarHBondContact CB-OD1 3.4Å; S64-D237 PolarHBondContact OG-OD1 2.93Å; S64-D237 PolarHBondContact OG-OD2 3.12Å
65	C	95	Very high	86.2	Confident	47 Å²	47	84.9 Å²	84.9	32%	0.318	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	154	178	58.7	0	0	0	0	111.3	W72 T73	C65-W72 WeakPolarHBondContact O-CA 3.33Å; C65-T73 PolarHBondContact O-N 3.21Å; C65-T73 PolarHBondContact O-OG1 3.31Å; C65-T73 PolarHBondContact SG-OG1 3Å
66	Q	96.7	Very high	87.7	Confident	101 Å²	101	84.2 Å²	84.2	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.6	178.5	-65.3	-179.4	-20.9	0	0	110.7	R71 W72	Q66-R71 CarbonylContact C-O 3.49Å; Q66-R71 WeakPolarHBondContact CA-O 3.16Å; Q66-W72 HydrophobicContact CG-CD2 3.65Å; Q66-W72 HydrophobicContact CG-CE3 3.4Å; Q66-W72 VanDerWaalsContact CG-CE3 3.4Å; Q66-W72 HydrophobicContact CG-CG 4.32Å; Q66-W72 HydrophobicContact CG-CH2 4.06Å; Q66-W72 HydrophobicContact CG-CZ2 4.27Å; Q66-W72 HydrophobicContact CG-CZ3 3.62Å
67	D	95.4	Very high	89	Confident	58 Å²	58	81.3 Å²	81.3	31%	0.31	41%	0.413	S	S	.	.			trans	-75.6	177.5	168.1	76.9	5.4	0	0	0	112.1	H69 G70 R71 T73	D67-H69 PolarHBondContact O-N 2.91Å; D67-H69 VanDerWaalsContact OD1-C 3.3Å; D67-H69 VanDerWaalsContact OD1-CA 3.24Å; D67-H69 WeakPolarHBondContact OD1-CA 3.25Å; D67-H69 WeakPolarHBondContact OD1-CB 3.34Å; D67-H69 PolarHBondContact OD1-N 2.95Å; D67-H69 IonicContact OD2-CD2 3.19Å; D67-G70 PolarHBondContact O-N 3.42Å; D67-G70 PolarHBondContact OD1-N 2.69Å; D67-G70 VanDerWaalsContact OD1-N 3.1Å; D67-R71 PolarHBondContact N-O 3.39Å; D67-R71 PolarHBondContact OD1-N 3.04Å; D67-T73 HydrophobicContact CB-CG2 3.97Å
68	K	95.3	Very high	90.5	Very high	188 Å²	188	78.7 Å²	78.7	82%	0.817	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-11.8	177.6	69.6	-175.4	-178.6	-175.9	0	114.7
69	H	94.4	Very high	92.2	Very high	134 Å²	134	77.8 Å²	77.8	62%	0.62	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	6.1	179	-59	-64.1	0	0	0	112.3	D67 R71	D67-H69 PolarHBondContact O-N 2.91Å; D67-H69 VanDerWaalsContact OD1-C 3.3Å; D67-H69 VanDerWaalsContact OD1-CA 3.24Å; D67-H69 WeakPolarHBondContact OD1-CA 3.25Å; D67-H69 WeakPolarHBondContact OD1-CB 3.34Å; D67-H69 PolarHBondContact OD1-N 2.95Å; D67-H69 IonicContact OD2-CD2 3.19Å; H69-R71 VanDerWaalsContact C-N 3.28Å; H69-R71 HydrophobicContact CB-CG 4.48Å
70	G	94.6	Very high	93.6	Very high	33 Å²	33	78 Å²	78	34%	0.34	39%	0.388	S	S	.	.	S	Bend	trans	73.4	18.8	-178	0	0	0	0	0	113.3	D67	D67-G70 PolarHBondContact O-N 3.42Å; D67-G70 PolarHBondContact OD1-N 2.69Å; D67-G70 VanDerWaalsContact OD1-N 3.1Å
71	R	96.6	Very high	94.2	Very high	77 Å²	77	73.9 Å²	73.9	29%	0.291	37%	0.367	S	S	.	.			trans	-90.1	134.6	173.8	-61.5	-177.7	-172.6	-103.9	7.3	109.6	Q66 D67 H69 D268 N269	Q66-R71 CarbonylContact C-O 3.49Å; Q66-R71 WeakPolarHBondContact CA-O 3.16Å; D67-R71 PolarHBondContact N-O 3.39Å; D67-R71 PolarHBondContact OD1-N 3.04Å; H69-R71 VanDerWaalsContact C-N 3.28Å; H69-R71 HydrophobicContact CB-CG 4.48Å; R71-D268 WeakPolarHBondContact CD-O 3.45Å; R71-D268 PolarHBondContact NH1-O 3.04Å; R71-D268 IonicContact NH1-OD2 2.88Å; R71-N269 CarbonylContact C-O 3.47Å; R71-N269 WeakPolarHBondContact CA-O 3.48Å; R71-N269 HydrophobicContact CB-CB 4.16Å
72	W	97.6	Very high	94	Very high	20 Å²	20	73 Å²	73	8%	0.076	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	143	176.1	-62.5	102.2	0	0	0	111.5	S64 C65 Q66 L219 N269 L272 W273	S64-W72 WeakPolarHBondContact OG-CZ3 3.25Å; C65-W72 WeakPolarHBondContact O-CA 3.33Å; Q66-W72 HydrophobicContact CG-CD2 3.65Å; Q66-W72 HydrophobicContact CG-CE3 3.4Å; Q66-W72 VanDerWaalsContact CG-CE3 3.4Å; Q66-W72 HydrophobicContact CG-CG 4.32Å; Q66-W72 HydrophobicContact CG-CH2 4.06Å; Q66-W72 HydrophobicContact CG-CZ2 4.27Å; Q66-W72 HydrophobicContact CG-CZ3 3.62Å; W72-L219 HydrophobicContact CH2-CB 4.49Å; W72-L219 HydrophobicContact CH2-CD1 3.53Å; W72-L219 HydrophobicContact CZ2-CB 3.74Å; W72-L219 HydrophobicContact CZ2-CD1 3.57Å; W72-L219 HydrophobicContact CZ2-CG 4.33Å; W72-N269 HydrophobicContact CB-CB 4.4Å; W72-N269 PolarHBondContact N-O 3.49Å; W72-N269 VanDerWaalsContact O-CB 3.28Å; W72-N269 WeakPolarHBondContact O-CB 2.92Å; W72-N269 PolarHBondContact O-ND2 2.94Å; W72-L272 HydrophobicContact CB-CD1 4.16Å; W72-L272 VanDerWaalsContact CD1-N 3.32Å; W72-L272 HydrophobicContact CD2-CB 4.08Å; W72-L272 HydrophobicContact CD2-CD1 3.79Å; W72-L272 HydrophobicContact CD2-CG 4.43Å; W72-L272 HydrophobicContact CE3-CD1 3.84Å; W72-L272 HydrophobicContact CG-CB 4.12Å; W72-L272 HydrophobicContact CG-CD1 3.95Å; W72-L272 HydrophobicContact CZ2-CB 4.48Å; W72-W273 HydrophobicContact CB-CH2 3.83Å; W72-W273 HydrophobicContact CB-CZ3 3.69Å
73	T	96.8	Very high	93.6	Very high	49 Å²	49	73.7 Å²	73.7	30%	0.301	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.9	-177.6	55.3	0	0	0	0	111.9	C65 D67	C65-T73 PolarHBondContact O-N 3.21Å; C65-T73 PolarHBondContact O-OG1 3.31Å; C65-T73 PolarHBondContact SG-OG1 3Å; D67-T73 HydrophobicContact CB-CG2 3.97Å
74	N	96.1	Very high	93.1	Very high	17 Å²	17	76.2 Å²	76.2	9%	0.091	38%	0.375	C	S	.	.			trans	-75.7	128.2	171.3	-75	-74.9	0	0	0	110.4	W76 W79 Q258 H259 W273	N74-W76 HydrophobicContact CB-CE3 4.33Å; N74-W76 WeakPolarHBondContact OD1-CZ3 3.41Å; N74-W79 HydrophobicContact CB-CB 3.51Å; N74-W79 HydrophobicContact CB-CD2 3.74Å; N74-W79 HydrophobicContact CB-CE3 4.32Å; N74-W79 HydrophobicContact CB-CG 3.35Å; N74-W79 VanDerWaalsContact ND2-CE3 3.26Å; N74-W79 WeakPolarHBondContact ND2-CZ2 3.5Å; N74-W79 WeakPolarHBondContact ND2-CZ3 3.26Å; N74-Q258 WeakPolarHBondContact OD1-CA 3.46Å; N74-H259 PolarHBondContact ND2-O 3.38Å; N74-W273 VanDerWaalsContact ND2-CZ2 3.33Å; N74-W273 WeakPolarHBondContact ND2-CZ2 3.49Å; N74-W273 WeakPolarHBondContact OD1-CZ2 3.32Å
75	P	95.1	Very high	92.6	Very high	55 Å²	55	79.2 Å²	79.2	36%	0.357	40%	0.396	S	S	.	.			trans	-82.4	-11.8	179.9	31.6	-34.8	0	0	0	113.5	T62 W238	T62-P75 HydrophobicContact CG2-CB 4.04Å; T62-P75 HydrophobicContact CG2-CG 3.37Å; P75-W238 HydrophobicContact CG-CZ3 4.37Å
76	W	95.7	Very high	92.2	Very high	18 Å²	18	80.3 Å²	80.3	7%	0.068	40%	0.397	C	S	.	.	S	Bend	trans	-91.7	144.2	-171.1	-51.7	-72.8	0	0	0	113.4	T62 N74 T78 W79 W238 P256 S257 Q258 C294	T62-W76 HydrophobicContact CG2-CZ2 3.93Å; N74-W76 HydrophobicContact CB-CE3 4.33Å; N74-W76 WeakPolarHBondContact OD1-CZ3 3.41Å; W76-T78 VanDerWaalsContact CB-OG1 3.3Å; W76-T78 WeakPolarHBondContact CB-OG1 3.47Å; W76-T78 PolarHBondContact O-N 2.93Å; W76-W79 WeakPolarHBondContact O-CB 3.22Å; W76-W79 PolarHBondContact O-N 3.16Å; W76-W79 VanDerWaalsContact O-N 3.07Å; W76-W238 AromaticContact CH2-CH2 3.52Å; W76-W238 HydrophobicContact CH2-CH2 3.52Å; W76-W238 HydrophobicContact CH2-CZ2 4.37Å; W76-W238 AromaticContact CH2-CZ3 3.76Å; W76-W238 HydrophobicContact CH2-CZ3 3.76Å; W76-W238 HydrophobicContact CZ2-CH2 4.43Å; W76-W238 HydrophobicContact CZ2-CZ3 4.24Å; W76-W238 AromaticContact CZ3-CH2 4Å; W76-W238 HydrophobicContact CZ3-CH2 4Å; W76-P256 HydrophobicContact CH2-CB 3.76Å; W76-P256 HydrophobicContact CZ2-CB 3.9Å; W76-S257 WeakPolarHBondContact CH2-O 3.33Å; W76-S257 VanDerWaalsContact CZ3-O 3.25Å; W76-S257 WeakPolarHBondContact CZ3-O 3.37Å; W76-Q258 HydrophobicContact CE3-CB 3.7Å; W76-Q258 HydrophobicContact CE3-CG 3.88Å; W76-Q258 HydrophobicContact CZ3-CB 3.7Å; W76-Q258 HydrophobicContact CZ3-CG 4.24Å; W76-C294 HydrophobicContact CD2-CB 3.69Å; W76-C294 HydrophobicContact CE3-CB 3.9Å; W76-C294 HydrophobicContact CG-CB 3.97Å; W76-C294 HydrophobicContact CZ3-CB 4.46Å
77	P	92.2	Very high	91.6	Very high	115 Å²	115	77.6 Å²	77.6	75%	0.747	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.6	176.4	29.5	-36.2	0	0	0	113.6	W79	P77-W79 PolarHBondContact O-N 2.99Å
78	T	92.6	Very high	91.1	Very high	61 Å²	61	80.2 Å²	80.2	37%	0.374	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.7	171.9	38.8	0	0	0	0	112.2	W76 R80 Q258 Y293	W76-T78 VanDerWaalsContact CB-OG1 3.3Å; W76-T78 WeakPolarHBondContact CB-OG1 3.47Å; W76-T78 PolarHBondContact O-N 2.93Å; T78-R80 PolarHBondContact O-N 3.17Å; T78-Q258 PolarHBondContact OG1-OE1 3.19Å; T78-Y293 PolarHBondContact OG1-O 3.17Å
79	W	94.4	Very high	90.8	Very high	53 Å²	53	74.7 Å²	74.7	20%	0.201	37%	0.373	C	S	.	.			trans	-71.5	123.1	175.1	176.7	-110.4	0	0	0	111.5	N74 W76 P77 F81 Q258 W260 G325 Q326	N74-W79 HydrophobicContact CB-CB 3.51Å; N74-W79 HydrophobicContact CB-CD2 3.74Å; N74-W79 HydrophobicContact CB-CE3 4.32Å; N74-W79 HydrophobicContact CB-CG 3.35Å; N74-W79 VanDerWaalsContact ND2-CE3 3.26Å; N74-W79 WeakPolarHBondContact ND2-CZ2 3.5Å; N74-W79 WeakPolarHBondContact ND2-CZ3 3.26Å; W76-W79 WeakPolarHBondContact O-CB 3.22Å; W76-W79 PolarHBondContact O-N 3.16Å; W76-W79 VanDerWaalsContact O-N 3.07Å; P77-W79 PolarHBondContact O-N 2.99Å; W79-F81 AromaticContact CH2-CD2 3.98Å; W79-F81 HydrophobicContact CH2-CD2 3.98Å; W79-F81 HydrophobicContact CZ2-CB 4.12Å; W79-F81 AromaticContact CZ2-CD2 3.64Å; W79-F81 HydrophobicContact CZ2-CD2 3.64Å; W79-F81 HydrophobicContact CZ2-CG 4.36Å; W79-Q258 HydrophobicContact CB-CG 4.28Å; W79-Q258 HydrophobicContact CE3-CG 3.73Å; W79-Q258 HydrophobicContact CZ3-CG 4.47Å; W79-W260 HydrophobicContact CH2-CB 3.87Å; W79-W260 AromaticContact CH2-CD1 3.84Å; W79-W260 HydrophobicContact CH2-CG 4.09Å; W79-W260 HydrophobicContact CZ2-CB 4.39Å; W79-G325 WeakPolarHBondContact CZ3-O 3.44Å; W79-Q326 HydrophobicContact CZ3-CB 4.22Å
80	R	89.4	Confident	90.1	Very high	199 Å²	199	69.3 Å²	69.3	75%	0.751	35%	0.348	S	S	*	.			trans	-140.9	108.5	169.7	-65.1	-173.6	-179.2	-175.5	-0.6	108.6	T78	T78-R80 PolarHBondContact O-N 3.17Å
81	F	86.3	Confident	89.5	Confident	92 Å²	92	73.8 Å²	73.8	40%	0.404	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-71.4	135.2	171.7	-161.6	-97.9	0	0	0	109.5	W79 S83 L87 W260	W79-F81 AromaticContact CH2-CD2 3.98Å; W79-F81 HydrophobicContact CH2-CD2 3.98Å; W79-F81 HydrophobicContact CZ2-CB 4.12Å; W79-F81 AromaticContact CZ2-CD2 3.64Å; W79-F81 HydrophobicContact CZ2-CD2 3.64Å; W79-F81 HydrophobicContact CZ2-CG 4.36Å; F81-S83 PolarHBondContact O-N 3.24Å; F81-L87 HydrophobicContact CE1-CD1 4.06Å; F81-W260 HydrophobicContact CE2-CD2 4.16Å; F81-W260 HydrophobicContact CE2-CE3 4.46Å; F81-W260 HydrophobicContact CE2-CG 4.4Å
82	P	85.1	Confident	88.7	Confident	8 Å²	8	75 Å²	75	5%	0.052	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-59.6	138.2	179	-25.1	35.9	0	0	0	111.6	M86 L87 V322	P82-M86 HydrophobicContact CB-CB 4.25Å; P82-L87 HydrophobicContact CB-CD2 3.81Å; P82-L87 HydrophobicContact CB-CG 3.95Å; P82-L87 HydrophobicContact CG-CD2 4.2Å; P82-V322 HydrophobicContact CB-CG1 4.1Å; P82-V322 HydrophobicContact CG-CB 4.43Å; P82-V322 HydrophobicContact CG-CG1 3.76Å; P82-V322 WeakPolarHBondContact CG-O 3.24Å
83	S	86.6	Confident	87.7	Confident	46 Å²	46	80 Å²	80	32%	0.322	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-62.2	154.2	172.4	65.9	0	0	0	0	111	F81 S85 M86 L87	F81-S83 PolarHBondContact O-N 3.24Å; S83-S85 PolarHBondContact O-N 2.95Å; S83-S85 VanDerWaalsContact O-N 3.17Å; S83-S85 PolarHBondContact OG-OG 2.87Å; S83-M86 WeakPolarHBondContact O-CA 2.94Å; S83-M86 WeakPolarHBondContact O-CB 3.28Å; S83-M86 PolarHBondContact O-N 3.43Å; S83-M86 WeakPolarHBondContact OG-CB 3.46Å; S83-M86 WeakPolarHBondContact OG-CG 3.35Å; S83-M86 PolarHBondContact OG-N 2.57Å; S83-M86 PolarHBondContact OG-SD 3.14Å; S83-L87 PolarHBondContact O-N 2.85Å
84	Y	84.3	Confident	87	Confident	208 Å²	208	79.7 Å²	79.7	82%	0.816	40%	0.403	S	S	*	.	H	α-helix	trans	-55.2	-35.6	175.1	-70	-66.2	0	0	0	112.9	L87 L88	Y84-L87 PolarHBondContact O-N 3.3Å; Y84-L88 WeakPolarHBondContact O-CB 3.25Å; Y84-L88 PolarHBondContact O-N 3.13Å
85	S	85.1	Confident	86.2	Confident	84 Å²	84	86.6 Å²	86.6	59%	0.587	43%	0.432	S	S	*	.	H	α-helix	trans	-64.2	-38.6	173.5	42.3	0	0	0	0	112.9	S83 R89	S83-S85 PolarHBondContact O-N 2.95Å; S83-S85 VanDerWaalsContact O-N 3.17Å; S83-S85 PolarHBondContact OG-OG 2.87Å; S85-R89 WeakPolarHBondContact O-CB 3.2Å; S85-R89 PolarHBondContact O-N 3.05Å
86	M	86.6	Confident	85.6	Confident	71 Å²	71	88.4 Å²	88.4	35%	0.35	44%	0.439	S	S	.	.	H	α-helix	trans	-69.8	-40.2	175.2	-73	164.8	-173.6	0	0	111.3	P82 S83 R89 F90 V322	P82-M86 HydrophobicContact CB-CB 4.25Å; S83-M86 WeakPolarHBondContact O-CA 2.94Å; S83-M86 WeakPolarHBondContact O-CB 3.28Å; S83-M86 PolarHBondContact O-N 3.43Å; S83-M86 WeakPolarHBondContact OG-CB 3.46Å; S83-M86 WeakPolarHBondContact OG-CG 3.35Å; S83-M86 PolarHBondContact OG-N 2.57Å; S83-M86 PolarHBondContact OG-SD 3.14Å; M86-R89 PolarHBondContact O-N 2.69Å; M86-F90 VanDerWaalsContact O-CB 3.28Å; M86-F90 WeakPolarHBondContact O-CB 3.49Å; M86-F90 PolarHBondContact O-N 2.81Å; M86-V322 HydrophobicContact CB-CG2 4.38Å
87	L	84.3	Confident	84.9	Confident	44 Å²	44	93.1 Å²	93.1	23%	0.23	46%	0.462	C	S	.	.	H	α-helix	trans	-63.6	-42.3	174.9	-68.2	175.2	0	0	0	111.7	F81 P82 S83 Y84 F90 L91 V322	F81-L87 HydrophobicContact CE1-CD1 4.06Å; P82-L87 HydrophobicContact CB-CD2 3.81Å; P82-L87 HydrophobicContact CB-CG 3.95Å; P82-L87 HydrophobicContact CG-CD2 4.2Å; S83-L87 PolarHBondContact O-N 2.85Å; Y84-L87 PolarHBondContact O-N 3.3Å; L87-F90 PolarHBondContact O-N 3.32Å; L87-L91 WeakPolarHBondContact O-CB 3.42Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 2.92Å; L87-L91 PolarHBondContact O-N 2.89Å; L87-V322 HydrophobicContact CD2-CG1 4.42Å
88	L	83.4	Confident	84.4	Confident	112 Å²	112	88.2 Å²	88.2	59%	0.586	43%	0.43	S	S	*	.	H	α-helix	trans	-64.2	-44.5	175.5	-177.5	65.8	0	0	0	111.3	Y84 F90 L91 V92	Y84-L88 WeakPolarHBondContact O-CB 3.25Å; Y84-L88 PolarHBondContact O-N 3.13Å; L88-F90 VanDerWaalsContact C-N 3.33Å; L88-F90 PolarHBondContact O-N 2.82Å; L88-L91 PolarHBondContact O-N 3.26Å; L88-V92 HydrophobicContact CD1-CG2 3.76Å; L88-V92 WeakPolarHBondContact O-CB 3.23Å; L88-V92 WeakPolarHBondContact O-CG2 3.19Å; L88-V92 PolarHBondContact O-N 2.93Å
89	R	88.6	Confident	84.2	Confident	73 Å²	73	89 Å²	89	28%	0.275	44%	0.438	S	S	.	.	H	α-helix	trans	-57.8	-48.3	173.8	-171.7	-161.8	77.7	-158	-3.8	110.4	S85 M86 L91 V92 L93 D94 D321	S85-R89 WeakPolarHBondContact O-CB 3.2Å; S85-R89 PolarHBondContact O-N 3.05Å; M86-R89 PolarHBondContact O-N 2.69Å; R89-L91 PolarHBondContact O-N 2.54Å; R89-V92 PolarHBondContact O-N 3.15Å; R89-L93 HydrophobicContact CB-CD1 4.35Å; R89-L93 HydrophobicContact CG-CB 3.95Å; R89-L93 HydrophobicContact CG-CD1 3.99Å; R89-L93 HydrophobicContact CG-CG 4.49Å; R89-L93 CarbonylContact O-C 3.01Å; R89-L93 WeakPolarHBondContact O-CA 3.31Å; R89-L93 WeakPolarHBondContact O-CB 3.27Å; R89-L93 PolarHBondContact O-N 3.29Å; R89-D94 IonicContact CZ-OD1 3.32Å; R89-D94 IonicContact CZ-OD2 3.12Å; R89-D94 IonicContact NE-OD1 2.69Å; R89-D94 PolarHBondContact NE-OD1 2.89Å; R89-D94 VanDerWaalsContact NE-OD1 3.09Å; R89-D94 IonicContact NE-OD2 3.31Å; R89-D94 PolarHBondContact NE-OD2 3.37Å; R89-D94 VanDerWaalsContact NE-OD2 3.1Å; R89-D94 IonicContact NH2-OD2 2.75Å; R89-D94 PolarHBondContact NH2-OD2 3.25Å; R89-D94 VanDerWaalsContact NH2-OD2 3.13Å; R89-D94 PolarHBondContact O-N 3.38Å; R89-D321 IonicContact CZ-OD2 3.27Å; R89-D321 IonicContact NH1-OD2 3.82Å; R89-D321 PolarHBondContact NH1-OD2 2.97Å; R89-D321 VanDerWaalsContact NH2-CG 3.28Å; R89-D321 IonicContact NH2-OD1 3.93Å; R89-D321 PolarHBondContact NH2-OD1 3.09Å; R89-D321 IonicContact NH2-OD2 3.51Å; R89-D321 PolarHBondContact NH2-OD2 2.81Å
90	F	81.5	Confident	84	Confident	21 Å²	21	88.1 Å²	88.1	9%	0.092	44%	0.439	C	S	.	.	H	α-helix	trans	-56.4	-53.1	177.8	173.8	-114.4	0	0	0	111.4	M86 L87 L88 V92 P319 V322 M323 Y357	M86-F90 VanDerWaalsContact O-CB 3.28Å; M86-F90 WeakPolarHBondContact O-CB 3.49Å; M86-F90 PolarHBondContact O-N 2.81Å; L87-F90 PolarHBondContact O-N 3.32Å; L88-F90 VanDerWaalsContact C-N 3.33Å; L88-F90 PolarHBondContact O-N 2.82Å; F90-V92 PolarHBondContact O-N 3.07Å; F90-P319 VanDerWaalsContact CD2-CD 3.48Å; F90-P319 HydrophobicContact CD2-CG 3.91Å; F90-P319 VanDerWaalsContact CE2-CD 3.46Å; F90-P319 HydrophobicContact CE2-CG 4.38Å; F90-V322 HydrophobicContact CB-CG1 4.44Å; F90-V322 HydrophobicContact CB-CG2 4.29Å; F90-V322 HydrophobicContact CG-CG1 4.31Å; F90-M323 HydrophobicContact CE1-CE 3.95Å; F90-M323 HydrophobicContact CE2-CE 3.97Å; F90-M323 HydrophobicContact CZ-CE 3.45Å; F90-M323 VanDerWaalsContact CZ-CE 3.45Å; F90-Y357 HydrophobicContact CD2-CD2 4.2Å; F90-Y357 AromaticContact CD2-CE2 3.79Å; F90-Y357 HydrophobicContact CD2-CE2 3.79Å; F90-Y357 AromaticContact CD2-CZ 4Å; F90-Y357 AromaticContact CE2-CD1 4Å; F90-Y357 HydrophobicContact CE2-CD1 4Å; F90-Y357 AromaticContact CE2-CD2 3.85Å; F90-Y357 HydrophobicContact CE2-CD2 3.85Å; F90-Y357 AromaticContact CE2-CE1 3.77Å; F90-Y357 HydrophobicContact CE2-CE1 3.77Å; F90-Y357 AromaticContact CE2-CE2 3.66Å; F90-Y357 HydrophobicContact CE2-CE2 3.66Å; F90-Y357 HydrophobicContact CE2-CG 4.01Å; F90-Y357 AromaticContact CE2-CZ 3.6Å; F90-Y357 HydrophobicContact CZ-CD1 4.37Å; F90-Y357 AromaticContact CZ-CE1 3.96Å; F90-Y357 HydrophobicContact CZ-CE1 3.96Å; F90-Y357 PolarHBondContact O-OH 2.71Å
91	L	81.4	Confident	84	Confident	126 Å²	126	80.1 Å²	80.1	66%	0.66	41%	0.412	S	S	*	.	H	α-helix	trans	-70.2	-27.4	-174.6	-69.2	171	0	0	0	114.4	L87 L88 R89	L87-L91 WeakPolarHBondContact O-CB 3.42Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 2.92Å; L87-L91 PolarHBondContact O-N 2.89Å; L88-L91 PolarHBondContact O-N 3.26Å; R89-L91 PolarHBondContact O-N 2.54Å
92	V	79.7	Confident	84.2	Confident	103 Å²	103	83 Å²	83	62%	0.624	44%	0.437	S	S	*	.	H	α-helix	trans	-117.9	-34.6	-168.3	-176.7	0	0	0	0	113.5	L88 R89 F90	L88-V92 HydrophobicContact CD1-CG2 3.76Å; L88-V92 WeakPolarHBondContact O-CB 3.23Å; L88-V92 WeakPolarHBondContact O-CG2 3.19Å; L88-V92 PolarHBondContact O-N 2.93Å; R89-V92 PolarHBondContact O-N 3.15Å; F90-V92 PolarHBondContact O-N 3.07Å
93	L	76.8	Confident	84.6	Confident	126 Å²	126	84.4 Å²	84.4	66%	0.66	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-37.2	-167.9	-58.3	177.5	0	0	0	113.3	R89 K95	R89-L93 HydrophobicContact CB-CD1 4.35Å; R89-L93 HydrophobicContact CG-CB 3.95Å; R89-L93 HydrophobicContact CG-CD1 3.99Å; R89-L93 HydrophobicContact CG-CG 4.49Å; R89-L93 CarbonylContact O-C 3.01Å; R89-L93 WeakPolarHBondContact O-CA 3.31Å; R89-L93 WeakPolarHBondContact O-CB 3.27Å; R89-L93 PolarHBondContact O-N 3.29Å; L93-K95 PolarHBondContact O-N 3.22Å
94	D	82.6	Confident	84.8	Confident	42 Å²	42	88.3 Å²	88.3	23%	0.225	46%	0.459	C	S	.	.	S	Bend	trans	-68.3	133.6	-178.5	-72.8	-12.3	0	0	0	109	R89 N96 Y357	R89-D94 IonicContact CZ-OD1 3.32Å; R89-D94 IonicContact CZ-OD2 3.12Å; R89-D94 IonicContact NE-OD1 2.69Å; R89-D94 PolarHBondContact NE-OD1 2.89Å; R89-D94 VanDerWaalsContact NE-OD1 3.09Å; R89-D94 IonicContact NE-OD2 3.31Å; R89-D94 PolarHBondContact NE-OD2 3.37Å; R89-D94 VanDerWaalsContact NE-OD2 3.1Å; R89-D94 IonicContact NH2-OD2 2.75Å; R89-D94 PolarHBondContact NH2-OD2 3.25Å; R89-D94 VanDerWaalsContact NH2-OD2 3.13Å; R89-D94 PolarHBondContact O-N 3.38Å; D94-N96 PolarHBondContact O-N 2.91Å; D94-Y357 HydrophobicContact CB-CD2 3.97Å; D94-Y357 HydrophobicContact CB-CE2 3.51Å; D94-Y357 WeakPolarHBondContact O-CE2 3.4Å
95	K	77.5	Confident	85.2	Confident	161 Å²	161	84.9 Å²	84.9	70%	0.7	45%	0.45	S	S	*	.			trans	-75.3	130.4	-178.7	-71.4	-177.9	-178.6	178.6	0	109.3	L93 H97 Y357	L93-K95 PolarHBondContact O-N 3.22Å; K95-H97 PolarHBondContact O-CD2 3Å; K95-H97 PolarHBondContact O-N 3.21Å; K95-Y357 VanDerWaalsContact O-CD2 3.23Å; K95-Y357 WeakPolarHBondContact O-CD2 3.13Å
96	N	82.6	Confident	85.5	Confident	94 Å²	94	83.6 Å²	83.6	50%	0.503	44%	0.439	S	S	.	.			trans	-71	110.8	172.1	-174.8	-13.3	0	0	0	109.6	D94 S98 Y357	D94-N96 PolarHBondContact O-N 2.91Å; N96-S98 WeakPolarHBondContact OD1-CB 3.39Å; N96-S98 PolarHBondContact OD1-N 3.32Å; N96-S98 PolarHBondContact OD1-OG 3.31Å; N96-Y357 HydrophobicContact CB-CD1 4.17Å; N96-Y357 HydrophobicContact CB-CE1 4.13Å
97	H	81.4	Confident	85.8	Confident	116 Å²	116	80.8 Å²	80.8	54%	0.537	43%	0.425	S	S	.	.			trans	-98.6	6.1	178.5	-69	-75.5	0	0	0	113.5	K95 S99 Y357	K95-H97 PolarHBondContact O-CD2 3Å; K95-H97 PolarHBondContact O-N 3.21Å; H97-S99 PolarHBondContact O-N 3.11Å; H97-S99 VanDerWaalsContact O-N 3.09Å; H97-S99 PolarHBondContact O-OG 3.46Å; H97-Y357 CarbonylContact C-O 3.57Å; H97-Y357 VanDerWaalsContact C-O 3.32Å; H97-Y357 WeakPolarHBondContact CA-O 3.46Å; H97-Y357 VanDerWaalsContact CB-O 3.24Å; H97-Y357 WeakPolarHBondContact CB-O 3.36Å
98	S	82.3	Confident	86.2	Confident	12 Å²	12	81.6 Å²	81.6	8%	0.084	43%	0.43	C	S	.	.			trans	-56.3	-32.5	-177.5	62.1	0	0	0	0	114	N96 V100 Y357 D358 Y359 Y360	N96-S98 WeakPolarHBondContact OD1-CB 3.39Å; N96-S98 PolarHBondContact OD1-N 3.32Å; N96-S98 PolarHBondContact OD1-OG 3.31Å; S98-V100 PolarHBondContact O-N 2.94Å; S98-Y357 PolarHBondContact N-O 3.28Å; S98-D358 VanDerWaalsContact CA-O 3.29Å; S98-D358 WeakPolarHBondContact CA-O 3.18Å; S98-Y359 WeakPolarHBondContact O-CD2 2.99Å; S98-Y360 PolarHBondContact O-N 3.09Å; S98-Y360 VanDerWaalsContact O-N 3.12Å
99	S	89.1	Confident	86.6	Confident	77 Å²	77	81 Å²	81	54%	0.538	44%	0.435	S	S	.	.			trans	45.2	37.6	174.7	-44.2	0	0	0	0	113.7	H97 P101	H97-S99 PolarHBondContact O-N 3.11Å; H97-S99 VanDerWaalsContact O-N 3.09Å; H97-S99 PolarHBondContact O-OG 3.46Å; S99-P101 WeakPolarHBondContact O-CD 3.38Å
100	V	90.1	Very high	86.8	Confident	36 Å²	36	81.6 Å²	81.6	22%	0.218	44%	0.441	C	S	.	.			trans	-63.8	122.4	177.9	-179.8	0	0	0	0	108.9	S98 L107 Y171 A354 Y360	S98-V100 PolarHBondContact O-N 2.94Å; V100-L107 HydrophobicContact CG1-CD2 4.35Å; V100-Y171 HydrophobicContact CG1-CD1 3.8Å; V100-Y171 HydrophobicContact CG1-CD2 4.16Å; V100-Y171 HydrophobicContact CG1-CE1 4.43Å; V100-Y171 HydrophobicContact CG1-CG 3.63Å; V100-Y171 HydrophobicContact CG2-CD1 3.97Å; V100-Y171 HydrophobicContact CG2-CE1 3.94Å; V100-A354 HydrophobicContact CG2-CB 4.15Å; V100-Y360 HydrophobicContact CG2-CG 4.4Å
101	P	89.8	Confident	87.4	Confident	30 Å²	30	80.9 Å²	80.9	20%	0.195	44%	0.438	C	S	.	.			trans	-61.6	140.9	178.4	-22.7	31.8	0	0	0	111.7	S99 V106 L107 Y360	S99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-V106 HydrophobicContact CB-CB 4.05Å; P101-V106 HydrophobicContact CB-CG1 3.85Å; P101-V106 HydrophobicContact CG-CB 4.39Å; P101-V106 HydrophobicContact CG-CG1 3.66Å; P101-L107 HydrophobicContact CB-CD2 4.46Å; P101-L107 HydrophobicContact CB-CG 4.29Å; P101-L107 HydrophobicContact CG-CD2 4.29Å; P101-Y360 HydrophobicContact CG-CE1 3.87Å; P101-Y360 WeakPolarHBondContact CG-OH 3.37Å
102	T	89.4	Confident	88	Confident	152 Å²	152	77 Å²	77	93%	0.933	42%	0.42	S	S	*	.	S	Bend	trans	-82.6	-21	171.2	52.4	0	0	0	0	112.5
103	S	92.8	Very high	88.8	Confident	38 Å²	38	74.6 Å²	74.6	27%	0.266	41%	0.406	S	S	.	.			trans	-73.6	128.1	176.8	161.2	0	0	0	0	110.6	E105 V106 L107	S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 PolarHBondContact OG-N 3.39Å; S103-E105 PolarHBondContact OG-OE2 2.82Å; S103-V106 PolarHBondContact OG-N 3.36Å; S103-L107 PolarHBondContact O-N 3.49Å
104	K	90.9	Very high	89.6	Confident	128 Å²	128	72.2 Å²	72.2	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-65.3	-37.1	174.7	173.9	169.7	168.3	50.1	0	111.1	L107 D108	K104-L107 PolarHBondContact O-N 3.15Å; K104-D108 WeakPolarHBondContact CE-OD2 3.39Å; K104-D108 VanDerWaalsContact CG-OD2 3.27Å; K104-D108 WeakPolarHBondContact CG-OD2 3.09Å; K104-D108 IonicContact NZ-OD1 3.58Å; K104-D108 IonicContact NZ-OD2 2.72Å; K104-D108 PolarHBondContact NZ-OD2 2.81Å; K104-D108 VanDerWaalsContact O-CB 3.25Å; K104-D108 WeakPolarHBondContact O-CB 3.4Å; K104-D108 PolarHBondContact O-N 3.14Å
105	E	92.6	Very high	90.2	Very high	136 Å²	136	75.1 Å²	75.1	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-64.5	-43.7	-177.7	-57.7	69.2	-148	0	0	111.3	S103 D108 S109	S103-E105 VanDerWaalsContact C-N 3.3Å; S103-E105 PolarHBondContact OG-N 3.39Å; S103-E105 PolarHBondContact OG-OE2 2.82Å; E105-D108 PolarHBondContact O-N 3.06Å; E105-S109 PolarHBondContact O-N 2.85Å
106	V	92.9	Very high	91	Very high	58 Å²	58	67.4 Å²	67.4	35%	0.352	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-49	175.7	177.2	0	0	0	0	110.1	P101 S103 D108 S109 E110	P101-V106 HydrophobicContact CB-CB 4.05Å; P101-V106 HydrophobicContact CB-CG1 3.85Å; P101-V106 HydrophobicContact CG-CB 4.39Å; P101-V106 HydrophobicContact CG-CG1 3.66Å; S103-V106 PolarHBondContact OG-N 3.36Å; V106-D108 VanDerWaalsContact C-N 3.32Å; V106-D108 PolarHBondContact O-N 2.85Å; V106-S109 PolarHBondContact O-N 3.42Å; V106-E110 HydrophobicContact CG1-CG 4.38Å; V106-E110 WeakPolarHBondContact CG1-OE2 3.36Å; V106-E110 WeakPolarHBondContact O-CG 3.43Å; V106-E110 PolarHBondContact O-N 3.06Å
107	L	92.5	Very high	91.4	Very high	12 Å²	12	64.7 Å²	64.7	6%	0.063	36%	0.355	C	S	.	.	H	α-helix	trans	-59.6	-44	177.6	-72	173.2	0	0	0	111.3	V100 P101 S103 K104 S109 E110 L111 Y171 R172 Y360	V100-L107 HydrophobicContact CG1-CD2 4.35Å; P101-L107 HydrophobicContact CB-CD2 4.46Å; P101-L107 HydrophobicContact CB-CG 4.29Å; P101-L107 HydrophobicContact CG-CD2 4.29Å; S103-L107 PolarHBondContact O-N 3.49Å; K104-L107 PolarHBondContact O-N 3.15Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.09Å; L107-E110 PolarHBondContact O-N 3.46Å; L107-L111 CarbonylContact O-C 3.52Å; L107-L111 PolarHBondContact O-N 2.98Å; L107-Y171 HydrophobicContact CD2-CD2 4.26Å; L107-R172 VanDerWaalsContact CB-CZ 3.48Å; L107-R172 VanDerWaalsContact CB-NH1 3.25Å; L107-R172 PolarHBondContact O-NH2 3.38Å; L107-Y360 HydrophobicContact CD2-CE2 4.01Å
108	D	92.4	Very high	91.9	Very high	60 Å²	60	59.5 Å²	59.5	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-62.3	-31.6	177.8	-71.2	-10	0	0	0	113.3	K104 E105 V106 P112 R172	K104-D108 WeakPolarHBondContact CE-OD2 3.39Å; K104-D108 VanDerWaalsContact CG-OD2 3.27Å; K104-D108 WeakPolarHBondContact CG-OD2 3.09Å; K104-D108 IonicContact NZ-OD1 3.58Å; K104-D108 IonicContact NZ-OD2 2.72Å; K104-D108 PolarHBondContact NZ-OD2 2.81Å; K104-D108 VanDerWaalsContact O-CB 3.25Å; K104-D108 WeakPolarHBondContact O-CB 3.4Å; K104-D108 PolarHBondContact O-N 3.14Å; E105-D108 PolarHBondContact O-N 3.06Å; V106-D108 VanDerWaalsContact C-N 3.32Å; V106-D108 PolarHBondContact O-N 2.85Å; D108-P112 WeakPolarHBondContact O-CB 3.28Å; D108-R172 VanDerWaalsContact N-NH2 3.17Å; D108-R172 IonicContact OD1-CZ 3.84Å; D108-R172 VanDerWaalsContact OD1-CZ 3.32Å; D108-R172 IonicContact OD1-NH1 3.27Å; D108-R172 PolarHBondContact OD1-NH1 3.38Å; D108-R172 IonicContact OD1-NH2 2.68Å; D108-R172 PolarHBondContact OD1-NH2 3.01Å
109	S	92.9	Very high	92.4	Very high	101 Å²	101	60.4 Å²	60.4	71%	0.706	34%	0.336	S	S	*	.	H	α-helix	trans	-75.1	-42.1	171.7	-172.3	0	0	0	0	113	E105 V106 L107	E105-S109 PolarHBondContact O-N 2.85Å; V106-S109 PolarHBondContact O-N 3.42Å; L107-S109 VanDerWaalsContact C-N 3.28Å; L107-S109 PolarHBondContact O-N 3.09Å
110	E	92.4	Very high	92.4	Very high	84 Å²	84	62.9 Å²	62.9	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-89.2	-33.7	-169.4	-65.6	-173.8	144.2	0	0	113.2	V106 L107 Y360 L361	V106-E110 HydrophobicContact CG1-CG 4.38Å; V106-E110 WeakPolarHBondContact CG1-OE2 3.36Å; V106-E110 WeakPolarHBondContact O-CG 3.43Å; V106-E110 PolarHBondContact O-N 3.06Å; L107-E110 PolarHBondContact O-N 3.46Å; E110-Y360 PolarHBondContact OE2-OH 2.72Å; E110-L361 HydrophobicContact CB-CD1 4.02Å; E110-L361 HydrophobicContact CB-CD2 4.43Å; E110-L361 HydrophobicContact CG-CD1 4.24Å
111	L	93.3	Very high	92.2	Very high	7 Å²	7	65.1 Å²	65.1	4%	0.037	35%	0.35	C	S	.	.	S	Bend	trans	-139	60.7	-178.9	-70.2	180	0	0	0	112.2	L107 V113 Y171 R172 W350 Y360 L361	L107-L111 CarbonylContact O-C 3.52Å; L107-L111 PolarHBondContact O-N 2.98Å; L111-V113 PolarHBondContact O-N 3.3Å; L111-Y171 HydrophobicContact CD1-CE2 4.19Å; L111-R172 VanDerWaalsContact C-NH2 3.28Å; L111-R172 HydrophobicContact CB-CG 4.41Å; L111-R172 PolarHBondContact O-NE 3.5Å; L111-R172 PolarHBondContact O-NH2 3.44Å; L111-W350 HydrophobicContact CD1-CZ3 4.38Å; L111-W350 HydrophobicContact CD2-CH2 3.56Å; L111-W350 HydrophobicContact CD2-CZ3 3.61Å; L111-Y360 HydrophobicContact CD1-CD2 3.66Å; L111-Y360 HydrophobicContact CD1-CE2 3.58Å; L111-Y360 HydrophobicContact CG-CE2 4.16Å; L111-L361 HydrophobicContact CD1-CD2 3.94Å; L111-L361 HydrophobicContact CD2-CD2 3.83Å; L111-L361 HydrophobicContact CG-CD2 3.7Å
112	P	94.7	Very high	91.9	Very high	43 Å²	43	67.5 Å²	67.5	28%	0.279	37%	0.365	S	S	.	.			trans	-54.2	138.3	-173.9	23.4	-34.3	0	0	0	112.1	D108 L114 S385	D108-P112 WeakPolarHBondContact O-CB 3.28Å; P112-L114 HydrophobicContact CB-CD2 4.18Å; P112-S385 WeakPolarHBondContact O-CB 3.4Å
113	V	95.2	Very high	91.3	Very high	54 Å²	54	68.1 Å²	68.1	33%	0.327	36%	0.357	S	S	.	.			trans	-89.9	114.5	170.3	-179	0	0	0	0	107.3	L111 R172 P175 P386	L111-V113 PolarHBondContact O-N 3.3Å; V113-R172 HydrophobicContact CG2-CB 4.11Å; V113-R172 HydrophobicContact CG2-CG 4.44Å; V113-P175 HydrophobicContact CG1-CB 3.81Å; V113-P386 HydrophobicContact CG1-CB 4.41Å; V113-P386 HydrophobicContact CG2-CB 4.39Å
114	L	94.6	Very high	90.4	Very high	75 Å²	75	67.7 Å²	67.7	39%	0.393	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-93.2	145.8	-179.1	-55.2	-176.2	0	0	0	109.9	P112 P175 P386 G387	P112-L114 HydrophobicContact CB-CD2 4.18Å; L114-P175 WeakPolarHBondContact O-CB 3.23Å; L114-P386 PolarHBondContact N-O 3.32Å; L114-G387 WeakPolarHBondContact O-CA 3.4Å
115	E	94.1	Very high	89.4	Confident	103 Å²	103	63.9 Å²	63.9	48%	0.481	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-74.5	130.2	170.6	-176.5	173.2	-141	0	0	109.4	V119 Q120	E115-V119 HydrophobicContact CG-CB 3.82Å; E115-V119 HydrophobicContact CG-CG1 3.93Å; E115-V119 HydrophobicContact CG-CG2 4.46Å; E115-V119 WeakPolarHBondContact OE1-CG1 3.31Å; E115-Q120 HydrophobicContact CG-CG 4.09Å; E115-Q120 PolarHBondContact O-NE2 3.3Å
116	P	94.9	Very high	88	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65.7	150	-177.3	-23	34.8	0	0	0	112.9	F118 V119 Q120 T134 L136 P175 C176	P116-F118 HydrophobicContact CB-CD1 3.85Å; P116-F118 HydrophobicContact CB-CD2 4.24Å; P116-F118 HydrophobicContact CB-CE1 3.37Å; P116-F118 HydrophobicContact CB-CE2 3.8Å; P116-F118 HydrophobicContact CB-CG 4.26Å; P116-F118 HydrophobicContact CB-CZ 3.34Å; P116-F118 HydrophobicContact CG-CE1 4.17Å; P116-F118 HydrophobicContact CG-CE2 4.16Å; P116-F118 HydrophobicContact CG-CZ 3.7Å; P116-F118 PolarHBondContact O-N 2.88Å; P116-F118 VanDerWaalsContact O-N 3.11Å; P116-V119 HydrophobicContact CB-CG2 4.31Å; P116-V119 HydrophobicContact CG-CG2 4.37Å; P116-V119 WeakPolarHBondContact O-CB 3.46Å; P116-V119 PolarHBondContact O-N 2.96Å; P116-Q120 PolarHBondContact O-N 3.38Å; P116-T134 HydrophobicContact CB-CG2 4.26Å; P116-L136 HydrophobicContact CG-CD2 4.22Å; P116-P175 WeakPolarHBondContact CD-O 3.18Å; P116-P175 HydrophobicContact CG-CB 4.01Å; P116-P175 HydrophobicContact CG-CG 4.15Å; P116-C176 HydrophobicContact CG-CB 4.03Å
117	Y	91.9	Very high	86.4	Confident	37 Å²	37	64.8 Å²	64.8	15%	0.145	36%	0.355	C	S	.	.	H	α-helix	trans	-57.6	-32.8	-176.9	82.1	-87.4	0	0	0	113	V119 Q120 N121 A124 L125 R132 E144 S389	Y117-V119 PolarHBondContact O-N 3.15Å; Y117-Q120 PolarHBondContact O-N 2.91Å; Y117-N121 CarbonylContact O-C 3.46Å; Y117-N121 WeakPolarHBondContact O-CA 3.35Å; Y117-N121 PolarHBondContact O-N 3.28Å; Y117-A124 HydrophobicContact CD2-CB 4.15Å; Y117-A124 HydrophobicContact CE2-CB 4.23Å; Y117-L125 HydrophobicContact CE2-CD2 4.43Å; Y117-L125 VanDerWaalsContact OH-CD2 3.27Å; Y117-L125 WeakPolarHBondContact OH-CD2 3.39Å; Y117-R132 VanDerWaalsContact CE2-CZ 3.47Å; Y117-R132 VanDerWaalsContact CZ-NE 3.31Å; Y117-R132 PolarHBondContact OH-NE 3.07Å; Y117-R132 PolarHBondContact OH-NH2 2.95Å; Y117-E144 WeakPolarHBondContact CE1-OE1 3Å; Y117-E144 PolarHBondContact OH-OE1 3.18Å; Y117-E144 PolarHBondContact OH-OE2 3.16Å; Y117-S389 VanDerWaalsContact CD1-OG 3.29Å; Y117-S389 WeakPolarHBondContact CD1-OG 3.4Å
118	F	92	Very high	84.7	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-74	-16.3	-179.1	54	-104.2	0	0	0	113	P116 P122 L125 T134 L136 L142 C176 Q180 L181	P116-F118 HydrophobicContact CB-CD1 3.85Å; P116-F118 HydrophobicContact CB-CD2 4.24Å; P116-F118 HydrophobicContact CB-CE1 3.37Å; P116-F118 HydrophobicContact CB-CE2 3.8Å; P116-F118 HydrophobicContact CB-CG 4.26Å; P116-F118 HydrophobicContact CB-CZ 3.34Å; P116-F118 HydrophobicContact CG-CE1 4.17Å; P116-F118 HydrophobicContact CG-CE2 4.16Å; P116-F118 HydrophobicContact CG-CZ 3.7Å; P116-F118 PolarHBondContact O-N 2.88Å; P116-F118 VanDerWaalsContact O-N 3.11Å; F118-P122 WeakPolarHBondContact O-CA 3.23Å; F118-P122 WeakPolarHBondContact O-CG 3.48Å; F118-L125 HydrophobicContact CB-CD1 4.38Å; F118-L125 HydrophobicContact CB-CD2 4.02Å; F118-L125 HydrophobicContact CB-CG 4.24Å; F118-T134 HydrophobicContact CE1-CG2 4.21Å; F118-L136 HydrophobicContact CZ-CD2 4.3Å; F118-L142 HydrophobicContact CD1-CD2 3.92Å; F118-L142 HydrophobicContact CE1-CD2 3.51Å; F118-L142 HydrophobicContact CZ-CD2 4.22Å; F118-C176 HydrophobicContact CE2-CB 4.37Å; F118-Q180 WeakPolarHBondContact CD2-O 3.44Å; F118-Q180 WeakPolarHBondContact CE2-O 3.3Å; F118-L181 HydrophobicContact CE2-CD2 4.46Å; F118-L181 HydrophobicContact CZ-CD2 4.19Å
119	V	92.6	Very high	83.1	Confident	32 Å²	32	69.1 Å²	69.1	19%	0.194	39%	0.391	C	S	.	.	H	α-helix	trans	-81.4	-41.2	170.3	-173.7	0	0	0	0	109.7	E115 P116 Y117 C176 Q180	E115-V119 HydrophobicContact CG-CB 3.82Å; E115-V119 HydrophobicContact CG-CG1 3.93Å; E115-V119 HydrophobicContact CG-CG2 4.46Å; E115-V119 WeakPolarHBondContact OE1-CG1 3.31Å; P116-V119 HydrophobicContact CB-CG2 4.31Å; P116-V119 HydrophobicContact CG-CG2 4.37Å; P116-V119 WeakPolarHBondContact O-CB 3.46Å; P116-V119 PolarHBondContact O-N 2.96Å; Y117-V119 PolarHBondContact O-N 3.15Å; V119-C176 HydrophobicContact CG2-CB 4.12Å; V119-Q180 HydrophobicContact CG2-CB 4.1Å
120	Q	88.3	Confident	82.5	Confident	129 Å²	129	65.1 Å²	65.1	60%	0.603	37%	0.365	S	S	*	.	H	α-helix	trans	-73.1	-38.2	179.6	-63.8	177.8	-1.3	0	0	112.9	E115 P116 Y117	E115-Q120 HydrophobicContact CG-CG 4.09Å; E115-Q120 PolarHBondContact O-NE2 3.3Å; P116-Q120 PolarHBondContact O-N 3.38Å; Y117-Q120 PolarHBondContact O-N 2.91Å
121	N	86.6	Confident	82.4	Confident	82 Å²	82	61.2 Å²	61.2	44%	0.439	35%	0.347	S	S	.	.			trans	-142.8	80.5	-176.8	-172.4	5.5	0	0	0	110.8	Y117 E123 A124	Y117-N121 CarbonylContact O-C 3.46Å; Y117-N121 WeakPolarHBondContact O-CA 3.35Å; Y117-N121 PolarHBondContact O-N 3.28Å; N121-E123 PolarHBondContact O-N 3Å; N121-A124 HydrophobicContact CB-CB 4.33Å; N121-A124 WeakPolarHBondContact O-CB 3.22Å; N121-A124 PolarHBondContact O-N 3.46Å; N121-A124 VanDerWaalsContact O-N 3.12Å
122	P	81.8	Confident	82.4	Confident	80 Å²	80	62 Å²	62	52%	0.519	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-58.3	-30	179.4	-24.1	33.2	0	0	0	113.7	F118 A124 L125	F118-P122 WeakPolarHBondContact O-CA 3.23Å; F118-P122 WeakPolarHBondContact O-CG 3.48Å; P122-A124 PolarHBondContact O-N 2.88Å; P122-L125 WeakPolarHBondContact O-CB 3.43Å; P122-L125 WeakPolarHBondContact O-CD1 3.31Å; P122-L125 WeakPolarHBondContact O-CG 3.41Å; P122-L125 PolarHBondContact O-N 2.87Å
123	E	76.9	Confident	82.4	Confident	165 Å²	165	60 Å²	60	77%	0.771	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-67.9	-16.9	-179.9	-58.8	-177	176.7	0	0	112.8	N121 L125	N121-E123 PolarHBondContact O-N 3Å; E123-L125 PolarHBondContact O-N 3.19Å
124	A	74.4	Confident	82.4	Confident	29 Å²	29	57.4 Å²	57.4	24%	0.24	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-77.3	0.9	177.7	0	0	0	0	0	114.4	Y117 N121 P122 D126 R132	Y117-A124 HydrophobicContact CD2-CB 4.15Å; Y117-A124 HydrophobicContact CE2-CB 4.23Å; N121-A124 HydrophobicContact CB-CB 4.33Å; N121-A124 WeakPolarHBondContact O-CB 3.22Å; N121-A124 PolarHBondContact O-N 3.46Å; N121-A124 VanDerWaalsContact O-N 3.12Å; P122-A124 PolarHBondContact O-N 2.88Å; A124-D126 VanDerWaalsContact C-N 3.35Å; A124-R132 PolarHBondContact O-NH1 2.79Å; A124-R132 PolarHBondContact O-NH2 2.86Å
125	L	71.2	Confident	82.6	Confident	48 Å²	48	53.8 Å²	53.8	25%	0.251	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-71	-29.2	174.7	-74	164.9	0	0	0	112.3	Y117 F118 P122 E123 S127 P182	Y117-L125 HydrophobicContact CE2-CD2 4.43Å; Y117-L125 VanDerWaalsContact OH-CD2 3.27Å; Y117-L125 WeakPolarHBondContact OH-CD2 3.39Å; F118-L125 HydrophobicContact CB-CD1 4.38Å; F118-L125 HydrophobicContact CB-CD2 4.02Å; F118-L125 HydrophobicContact CB-CG 4.24Å; P122-L125 WeakPolarHBondContact O-CB 3.43Å; P122-L125 WeakPolarHBondContact O-CD1 3.31Å; P122-L125 WeakPolarHBondContact O-CG 3.41Å; P122-L125 PolarHBondContact O-N 2.87Å; E123-L125 PolarHBondContact O-N 3.19Å; L125-S127 PolarHBondContact O-N 3.44Å; L125-P182 HydrophobicContact CD1-CB 3.68Å; L125-P182 HydrophobicContact CD2-CB 3.58Å; L125-P182 HydrophobicContact CD2-CG 4Å; L125-P182 HydrophobicContact CG-CB 4.31Å
126	D	62.8	Low	82.8	Confident	141 Å²	141	49 Å²	49	75%	0.754	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-79.8	18.3	-171.8	-72	-22.3	0	0	0	114.7	A124 P128	A124-D126 VanDerWaalsContact C-N 3.35Å; D126-P128 WeakPolarHBondContact O-CD 3.18Å
127	S	59.1	Low	82.8	Confident	73 Å²	73	49 Å²	49	51%	0.51	28%	0.28	S	S	.	.			trans	-79.6	106	179.4	-149.1	0	0	0	0	110.2	L125 A129	L125-S127 PolarHBondContact O-N 3.44Å; S127-A129 VanDerWaalsContact C-N 3.28Å; S127-A129 PolarHBondContact O-N 2.71Å; S127-A129 VanDerWaalsContact O-N 3.16Å
128	P	56.2	Low	83.1	Confident	119 Å²	119	47.3 Å²	47.3	77%	0.773	27%	0.273	S	S	*	.			trans	-86.7	9.4	-157.3	33.3	-32.3	0	0	0	114.2	D126	D126-P128 WeakPolarHBondContact O-CD 3.18Å
129	A	59.5	Low	83.4	Confident	44 Å²	44	47 Å²	47	36%	0.364	27%	0.272	S	S	.	.	S	Bend	trans	-145.2	87.3	-163.5	0	0	0	0	0	111.9	S127 T395	S127-A129 VanDerWaalsContact C-N 3.28Å; S127-A129 PolarHBondContact O-N 2.71Å; S127-A129 VanDerWaalsContact O-N 3.16Å; A129-T395 WeakPolarHBondContact CB-OG1 2.97Å; A129-T395 PolarHBondContact O-N 2.75Å; A129-T395 PolarHBondContact O-OG1 3.11Å
130	G	79.4	Confident	83.7	Confident	17 Å²	17	45.6 Å²	45.6	18%	0.175	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.5	-173.7	179	0	0	0	0	0	115.3	M393	G130-M393 WeakPolarHBondContact CA-O 3.44Å
131	M	90.5	Very high	84.2	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.2	166.7	-177	173.4	55.2	0	0	108.7	V143 E144 M145 H283 F285 D308 L309 M393	M131-V143 HydrophobicContact CG-CG1 4.47Å; M131-E144 CarbonylContact C-O 3.52Å; M131-E144 VanDerWaalsContact CA-O 3.28Å; M131-E144 WeakPolarHBondContact CA-O 3.17Å; M131-M145 HydrophobicContact CG-CB 4.48Å; M131-M145 HydrophobicContact SD-SD 4.39Å; M131-H283 HydrophobicContact CB-CB 4.44Å; M131-H283 HydrophobicContact SD-CB 4.42Å; M131-F285 HydrophobicContact SD-CB 4.18Å; M131-D308 HydrophobicContact CE-CB 3.41Å; M131-D308 VanDerWaalsContact CE-CB 3.41Å; M131-L309 HydrophobicContact CE-CB 3.28Å; M131-L309 HydrophobicContact CE-CD2 4.29Å; M131-L309 HydrophobicContact CE-CG 4.43Å; M131-L309 HydrophobicContact SD-CB 3.99Å; M131-L309 HydrophobicContact SD-CD2 4.49Å; M131-M393 HydrophobicContact CE-CE 3.6Å; M131-M393 PolarHBondContact N-O 3Å; M131-M393 VanDerWaalsContact N-O 3.15Å; M131-M393 PolarHBondContact O-N 2.62Å
132	R	92.9	Very high	84.8	Confident	23 Å²	23	35.6 Å²	35.6	9%	0.087	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.5	177	175.3	166.6	53.8	-162.5	-8.9	109.1	Y117 A124 V143 E144 H391 K392	Y117-R132 VanDerWaalsContact CE2-CZ 3.47Å; Y117-R132 VanDerWaalsContact CZ-NE 3.31Å; Y117-R132 PolarHBondContact OH-NE 3.07Å; Y117-R132 PolarHBondContact OH-NH2 2.95Å; A124-R132 PolarHBondContact O-NH1 2.79Å; A124-R132 PolarHBondContact O-NH2 2.86Å; R132-V143 WeakPolarHBondContact O-CA 3.26Å; R132-E144 HydrophobicContact CB-CB 4.32Å; R132-E144 IonicContact CZ-OE1 2.69Å; R132-E144 IonicContact CZ-OE2 2.78Å; R132-E144 VanDerWaalsContact CZ-OE2 3.27Å; R132-E144 PolarHBondContact N-O 3.15Å; R132-E144 VanDerWaalsContact NE-CD 3.28Å; R132-E144 IonicContact NE-OE1 3.78Å; R132-E144 PolarHBondContact NE-OE1 3.36Å; R132-E144 IonicContact NE-OE2 3.04Å; R132-E144 PolarHBondContact NE-OE2 3.28Å; R132-E144 VanDerWaalsContact NE-OE2 3.14Å; R132-E144 IonicContact NH2-OE1 3.82Å; R132-E144 IonicContact NH2-OE2 2.76Å; R132-E144 PolarHBondContact NH2-OE2 2.99Å; R132-E144 PolarHBondContact O-N 2.97Å; R132-H391 WeakPolarHBondContact CA-O 3.42Å; R132-K392 HydrophobicContact CB-CG 4.46Å
133	V	94.9	Very high	85.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.9	174.5	171.6	0	0	0	0	110.4	V141 L142 V143 L309 V346 S389 P390 H391	V133-V141 HydrophobicContact CG1-CB 4.08Å; V133-V141 HydrophobicContact CG1-CG1 4.29Å; V133-L142 CarbonylContact C-O 3.32Å; V133-L142 WeakPolarHBondContact CA-O 3.25Å; V133-V143 HydrophobicContact CG2-CB 4.15Å; V133-V143 HydrophobicContact CG2-CG1 3.9Å; V133-V143 HydrophobicContact CG2-CG2 3.82Å; V133-L309 HydrophobicContact CB-CD2 3.8Å; V133-L309 HydrophobicContact CG1-CD2 4.48Å; V133-L309 HydrophobicContact CG2-CD2 3.12Å; V133-V346 HydrophobicContact CG1-CG1 4.26Å; V133-S389 CarbonylContact O-C 3.38Å; V133-S389 WeakPolarHBondContact O-CA 3.44Å; V133-S389 WeakPolarHBondContact O-CB 3.41Å; V133-P390 WeakPolarHBondContact O-CD 3.41Å; V133-H391 PolarHBondContact N-O 2.93Å
134	T	96.6	Very high	86.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.8	173.2	-54	0	0	0	0	108.9	P116 F118 L136 V141 L142 S388 S389	P116-T134 HydrophobicContact CB-CG2 4.26Å; F118-T134 HydrophobicContact CE1-CG2 4.21Å; T134-L136 HydrophobicContact CG2-CD2 3.95Å; T134-V141 WeakPolarHBondContact O-CA 3.5Å; T134-L142 PolarHBondContact N-O 2.92Å; T134-L142 PolarHBondContact O-N 3.3Å; T134-S388 WeakPolarHBondContact CA-O 3.33Å; T134-S388 WeakPolarHBondContact CG2-O 3.5Å; T134-S389 PolarHBondContact OG1-OG 2.79Å
135	W	97.6	Very high	87.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.6	178.5	-178.7	43.9	0	0	0	109.7	H138 W350 G384 P386 G387 S388	W135-H138 PolarHBondContact NE1-O 3.47Å; W135-W350 HydrophobicContact CH2-CD2 4.41Å; W135-W350 AromaticContact CH2-CE2 3.82Å; W135-W350 HydrophobicContact CH2-CZ2 4.03Å; W135-W350 AromaticContact CH2-NE1 3.77Å; W135-W350 VanDerWaalsContact CZ2-O 3.32Å; W135-W350 WeakPolarHBondContact CZ2-O 3.33Å; W135-W350 HydrophobicContact CZ3-CZ2 4.16Å; W135-G384 WeakPolarHBondContact CZ3-O 3.4Å; W135-P386 HydrophobicContact CE3-CG 4.35Å; W135-P386 HydrophobicContact CH2-CG 4.27Å; W135-P386 HydrophobicContact CZ3-CG 3.91Å; W135-G387 WeakPolarHBondContact O-CA 3.47Å; W135-G387 PolarHBondContact O-N 3.49Å; W135-S388 PolarHBondContact N-O 3.49Å
136	L	98	Very high	88.1	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	14%	0.141	C	C	.	.			trans	-99.1	10.5	-177.6	-57.1	177.4	0	0	0	112.8	P116 F118 T134 T140 L142 L151 F156 P175 L181	P116-L136 HydrophobicContact CG-CD2 4.22Å; F118-L136 HydrophobicContact CZ-CD2 4.3Å; T134-L136 HydrophobicContact CG2-CD2 3.95Å; L136-T140 HydrophobicContact CB-CG2 3.91Å; L136-T140 HydrophobicContact CD1-CG2 4.1Å; L136-T140 PolarHBondContact N-O 2.91Å; L136-L142 HydrophobicContact CD1-CB 4.14Å; L136-L151 HydrophobicContact CD1-CD1 3.83Å; L136-F156 HydrophobicContact CD1-CZ 4.16Å; L136-P175 HydrophobicContact CB-CG 4.19Å; L136-P175 HydrophobicContact CD2-CG 3.64Å; L136-P175 WeakPolarHBondContact O-CD 3.42Å; L136-L181 HydrophobicContact CD1-CD2 3.88Å
137	G	96.4	Very high	89.4	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.01	13%	0.134	C	C	.	.	S	Bend	trans	97.1	153.9	-176.6	0	0	0	0	0	112.4	A139 T140	G137-A139 PolarHBondContact O-N 3.38Å; G137-T140 WeakPolarHBondContact O-CB 3.24Å; G137-T140 PolarHBondContact O-N 2.91Å
138	H	98	Very high	91	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-130.9	-175.9	-157.4	53.3	0	0	0	112	W135 T140 I155 D195 H196 I348 H349 T352 F353 L355	W135-H138 PolarHBondContact NE1-O 3.47Å; H138-T140 VanDerWaalsContact C-N 3.34Å; H138-I155 HydrophobicContact CB-CG2 4.36Å; H138-D195 PolarHBondContact CD2-O 2.83Å; H138-D195 IonicContact CD2-OD2 3.32Å; H138-D195 IonicContact CE1-OD2 2.67Å; H138-D195 IonicContact NE2-OD2 3.32Å; H138-D195 PolarHBondContact NE2-OD2 2.95Å; H138-H196 AromaticContact NE2-NE2 3.46Å; H138-H196 PolarHBondContact NE2-NE2 2.95Å; H138-I348 WeakPolarHBondContact O-CB 3.32Å; H138-H349 AromaticContact CE1-CD2 3.15Å; H138-H349 PolarHBondContact CE1-CD2 2.78Å; H138-H349 AromaticContact CE1-CE1 3.94Å; H138-H349 AromaticContact CE1-CG 3.76Å; H138-H349 AromaticContact CE1-NE2 3.23Å; H138-H349 PolarHBondContact CE1-NE2 3.22Å; H138-H349 AromaticContact NE2-CD2 3.24Å; H138-H349 PolarHBondContact NE2-CD2 3.24Å; H138-H349 AromaticContact NE2-NE2 3.34Å; H138-H349 PolarHBondContact NE2-NE2 3.48Å; H138-H349 PolarHBondContact O-N 2.78Å; H138-T352 HydrophobicContact CB-CG2 4.01Å; H138-T352 PolarHBondContact N-OG1 2.61Å; H138-F353 HydrophobicContact CB-CD2 4.12Å; H138-F353 HydrophobicContact CB-CE2 4.15Å; H138-F353 AromaticContact CG-CD2 3.78Å; H138-F353 AromaticContact ND1-CD2 3.73Å; H138-L355 VanDerWaalsContact CE1-CD1 3.45Å; H138-L355 WeakPolarHBondContact CE1-CD1 3.45Å
139	A	98.3	Very high	93	Very high	0 Å²	0	11 Å²	11	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.6	172.3	0	0	0	0	0	113.8	G137 V141 T152 D153 H196 F287 I348	G137-A139 PolarHBondContact O-N 3.38Å; A139-V141 PolarHBondContact O-N 2.88Å; A139-T152 PolarHBondContact O-OG1 2.83Å; A139-D153 HydrophobicContact CB-CB 4.11Å; A139-H196 WeakPolarHBondContact CB-CE1 3.24Å; A139-F287 HydrophobicContact CB-CE2 4.4Å; A139-F287 HydrophobicContact CB-CZ 4.27Å; A139-I348 HydrophobicContact CB-CD1 4.28Å
140	T	98.8	Very high	94.8	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.012	6%	0.062	C	C	.	.			trans	-82.7	111.1	179	-48.7	0	0	0	0	111	L136 G137 H138 L151 T152 D153 P154 I155	L136-T140 HydrophobicContact CB-CG2 3.91Å; L136-T140 HydrophobicContact CD1-CG2 4.1Å; L136-T140 PolarHBondContact N-O 2.91Å; G137-T140 WeakPolarHBondContact O-CB 3.24Å; G137-T140 PolarHBondContact O-N 2.91Å; H138-T140 VanDerWaalsContact C-N 3.34Å; T140-L151 HydrophobicContact CG2-CD1 3.83Å; T140-L151 HydrophobicContact CG2-CG 4.39Å; T140-T152 VanDerWaalsContact CA-O 3.28Å; T140-T152 WeakPolarHBondContact CA-O 3.45Å; T140-D153 PolarHBondContact OG1-O 3.12Å; T140-P154 HydrophobicContact CG2-CB 4.46Å; T140-I155 PolarHBondContact OG1-N 3.28Å; T140-I155 VanDerWaalsContact OG1-N 3.17Å
141	V	98.3	Very high	95.8	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.4	169.3	-63.3	0	0	0	0	110.4	V133 T134 A139 V143 L151 T152 F285 A311 I348	V133-V141 HydrophobicContact CG1-CB 4.08Å; V133-V141 HydrophobicContact CG1-CG1 4.29Å; T134-V141 WeakPolarHBondContact O-CA 3.5Å; A139-V141 PolarHBondContact O-N 2.88Å; V141-V143 HydrophobicContact CG2-CG2 3.85Å; V141-L151 WeakPolarHBondContact O-CA 3.46Å; V141-T152 HydrophobicContact CG2-CG2 3.74Å; V141-T152 WeakPolarHBondContact CG2-OG1 3.21Å; V141-T152 PolarHBondContact N-OG1 2.7Å; V141-T152 PolarHBondContact O-N 2.82Å; V141-F285 HydrophobicContact CG2-CZ 4.15Å; V141-A311 HydrophobicContact CG2-CB 4.34Å; V141-I348 HydrophobicContact CG1-CG2 3.77Å
142	L	98.3	Very high	96.2	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.2	164.4	174.2	68.2	0	0	0	107.9	F118 V133 T134 L136 E144 N149 I150 L151 P182 I184	F118-L142 HydrophobicContact CD1-CD2 3.92Å; F118-L142 HydrophobicContact CE1-CD2 3.51Å; F118-L142 HydrophobicContact CZ-CD2 4.22Å; V133-L142 CarbonylContact C-O 3.32Å; V133-L142 WeakPolarHBondContact CA-O 3.25Å; T134-L142 PolarHBondContact N-O 2.92Å; T134-L142 PolarHBondContact O-N 3.3Å; L136-L142 HydrophobicContact CD1-CB 4.14Å; L142-E144 HydrophobicContact CG-CG 4.48Å; L142-N149 HydrophobicContact CD1-CB 4.37Å; L142-I150 CarbonylContact C-O 3.55Å; L142-I150 WeakPolarHBondContact CA-O 3.33Å; L142-L151 HydrophobicContact CB-CD1 4.31Å; L142-P182 HydrophobicContact CD1-CG 4.36Å; L142-P182 HydrophobicContact CD2-CG 3.71Å; L142-I184 HydrophobicContact CD1-CD1 3.57Å
143	V	97	Very high	96.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	178.1	-174.5	0	0	0	0	108.7	M131 R132 V133 V141 M145 N149 I150 F285	M131-V143 HydrophobicContact CG-CG1 4.47Å; R132-V143 WeakPolarHBondContact O-CA 3.26Å; V133-V143 HydrophobicContact CG2-CB 4.15Å; V133-V143 HydrophobicContact CG2-CG1 3.9Å; V133-V143 HydrophobicContact CG2-CG2 3.82Å; V141-V143 HydrophobicContact CG2-CG2 3.85Å; V143-M145 HydrophobicContact CG1-CB 4.31Å; V143-N149 WeakPolarHBondContact O-CA 3.15Å; V143-I150 HydrophobicContact CB-CB 4.25Å; V143-I150 PolarHBondContact N-O 2.81Å; V143-I150 PolarHBondContact O-N 3.47Å; V143-F285 HydrophobicContact CG1-CD1 4.36Å; V143-F285 HydrophobicContact CG1-CD2 4.31Å; V143-F285 HydrophobicContact CG1-CG 4.13Å; V143-F285 HydrophobicContact CG2-CD1 4.21Å; V143-F285 HydrophobicContact CG2-CD2 4.3Å; V143-F285 HydrophobicContact CG2-CE1 3.77Å; V143-F285 HydrophobicContact CG2-CE2 3.88Å; V143-F285 HydrophobicContact CG2-CG 4.46Å; V143-F285 HydrophobicContact CG2-CZ 3.59Å
144	E	95.1	Very high	96.6	Very high	16 Å²	16	6.9 Å²	6.9	8%	0.075	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.2	175.3	-56.4	165.7	-113.3	0	0	106.8	Y117 M131 R132 L142 N149	Y117-E144 WeakPolarHBondContact CE1-OE1 3Å; Y117-E144 PolarHBondContact OH-OE1 3.18Å; Y117-E144 PolarHBondContact OH-OE2 3.16Å; M131-E144 CarbonylContact C-O 3.52Å; M131-E144 VanDerWaalsContact CA-O 3.28Å; M131-E144 WeakPolarHBondContact CA-O 3.17Å; R132-E144 HydrophobicContact CB-CB 4.32Å; R132-E144 IonicContact CZ-OE1 2.69Å; R132-E144 IonicContact CZ-OE2 2.78Å; R132-E144 VanDerWaalsContact CZ-OE2 3.27Å; R132-E144 PolarHBondContact N-O 3.15Å; R132-E144 VanDerWaalsContact NE-CD 3.28Å; R132-E144 IonicContact NE-OE1 3.78Å; R132-E144 PolarHBondContact NE-OE1 3.36Å; R132-E144 IonicContact NE-OE2 3.04Å; R132-E144 PolarHBondContact NE-OE2 3.28Å; R132-E144 VanDerWaalsContact NE-OE2 3.14Å; R132-E144 IonicContact NH2-OE1 3.82Å; R132-E144 IonicContact NH2-OE2 2.76Å; R132-E144 PolarHBondContact NH2-OE2 2.99Å; R132-E144 PolarHBondContact O-N 2.97Å; L142-E144 HydrophobicContact CG-CG 4.48Å; E144-N149 WeakPolarHBondContact CG-OD1 3.28Å
145	M	92.8	Very high	96.7	Very high	1 Å²	1	7 Å²	7	1%	0.005	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	116.5	-172.3	177.1	175.7	148.7	0	0	109.2	M131 V143 G147 V148 V278 H283 F285	M131-M145 HydrophobicContact CG-CB 4.48Å; M131-M145 HydrophobicContact SD-SD 4.39Å; V143-M145 HydrophobicContact CG1-CB 4.31Å; M145-G147 PolarHBondContact O-N 3.19Å; M145-G147 VanDerWaalsContact O-N 3.15Å; M145-V148 PolarHBondContact N-O 3.05Å; M145-V148 PolarHBondContact O-N 3.31Å; M145-V278 HydrophobicContact CE-CG1 4.24Å; M145-V278 HydrophobicContact SD-CG1 4.31Å; M145-H283 HydrophobicContact CE-CB 4.12Å; M145-H283 WeakPolarHBondContact CE-O 3.35Å; M145-H283 HydrophobicContact CG-CB 4.15Å; M145-H283 HydrophobicContact SD-CB 4.15Å; M145-F285 HydrophobicContact SD-CB 4.1Å
146	E	89.8	Confident	96.7	Very high	37 Å²	37	8.3 Å²	8.3	17%	0.173	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	38.3	172.3	-55.3	-169.3	148.9	0	0	114.2	I250 G280 P281 N282 H283	E146-I250 HydrophobicContact CB-CD1 4.02Å; E146-G280 WeakPolarHBondContact OE2-CA 3.38Å; E146-P281 WeakPolarHBondContact OE2-CD 3.34Å; E146-P281 VanDerWaalsContact OE2-CG 3.28Å; E146-P281 WeakPolarHBondContact OE2-CG 3.32Å; E146-N282 VanDerWaalsContact OE1-CA 3.31Å; E146-N282 WeakPolarHBondContact OE1-CA 3.24Å; E146-N282 WeakPolarHBondContact OE1-CB 3.4Å; E146-N282 PolarHBondContact OE1-N 3.46Å; E146-N282 PolarHBondContact OE1-ND2 3.49Å; E146-H283 PolarHBondContact OE1-N 3.37Å; E146-H283 IonicContact OE1-ND1 2.82Å
147	G	89.9	Confident	96.7	Very high	59 Å²	59	9.2 Å²	9.2	61%	0.608	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	12.1	179.6	0	0	0	0	0	114.7	M145	M145-G147 PolarHBondContact O-N 3.19Å; M145-G147 VanDerWaalsContact O-N 3.15Å
148	V	93.7	Very high	96.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.4	173.5	-179.4	0	0	0	0	109.8	M145 I150 D185 H247 I250 F252	M145-V148 PolarHBondContact N-O 3.05Å; M145-V148 PolarHBondContact O-N 3.31Å; V148-I150 HydrophobicContact CG1-CD1 4.38Å; V148-I150 HydrophobicContact CG1-CG1 3.8Å; V148-D185 HydrophobicContact CG1-CB 3.79Å; V148-H247 HydrophobicContact CG2-CB 3.91Å; V148-H247 VanDerWaalsContact CG2-ND1 3.31Å; V148-H247 WeakPolarHBondContact CG2-ND1 3.46Å; V148-I250 HydrophobicContact CB-CD1 3.97Å; V148-I250 HydrophobicContact CG2-CD1 3.3Å; V148-F252 HydrophobicContact CG1-CZ 4.33Å
149	N	96.6	Very high	96.5	Very high	25 Å²	25	16.6 Å²	16.6	13%	0.134	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.3	175.2	-68	-14.6	0	0	0	109.8	L142 V143 E144 R183 I184 D185 A186	L142-N149 HydrophobicContact CD1-CB 4.37Å; V143-N149 WeakPolarHBondContact O-CA 3.15Å; E144-N149 WeakPolarHBondContact CG-OD1 3.28Å; N149-R183 WeakPolarHBondContact CB-O 3.29Å; N149-R183 PolarHBondContact ND2-O 2.75Å; N149-I184 HydrophobicContact CB-CD1 4.41Å; N149-D185 PolarHBondContact N-OD2 3.39Å; N149-D185 PolarHBondContact O-N 2.88Å; N149-A186 PolarHBondContact O-N 2.83Å
150	I	98.6	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.6	-173.1	-52.9	164.5	0	0	0	108.3	L142 V143 V148 A186 L188 F252 V278	L142-I150 CarbonylContact C-O 3.55Å; L142-I150 WeakPolarHBondContact CA-O 3.33Å; V143-I150 HydrophobicContact CB-CB 4.25Å; V143-I150 PolarHBondContact N-O 2.81Å; V143-I150 PolarHBondContact O-N 3.47Å; V148-I150 HydrophobicContact CG1-CD1 4.38Å; V148-I150 HydrophobicContact CG1-CG1 3.8Å; I150-A186 CarbonylContact C-O 3.56Å; I150-A186 WeakPolarHBondContact CA-O 3.25Å; I150-A186 HydrophobicContact CG1-CB 4.34Å; I150-A186 HydrophobicContact CG2-CB 4.39Å; I150-L188 HydrophobicContact CG2-CD1 3.67Å; I150-L188 HydrophobicContact CG2-CD2 4.22Å; I150-L188 HydrophobicContact CG2-CG 3.63Å; I150-F252 HydrophobicContact CD1-CE1 3.75Å; I150-F252 HydrophobicContact CD1-CZ 3.89Å; I150-F252 HydrophobicContact CG1-CE1 3.99Å; I150-F252 HydrophobicContact CG1-CZ 4.08Å; I150-F252 HydrophobicContact CG2-CE1 4.24Å; I150-V278 HydrophobicContact CD1-CG1 3.77Å; I150-V278 HydrophobicContact CD1-CG2 4.33Å
151	L	98.8	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.2	177.2	-169.7	67.6	0	0	0	109.7	L136 T140 V141 L142 P154 F156 L181 I184 A186 V187 L188 L205	L136-L151 HydrophobicContact CD1-CD1 3.83Å; T140-L151 HydrophobicContact CG2-CD1 3.83Å; T140-L151 HydrophobicContact CG2-CG 4.39Å; V141-L151 WeakPolarHBondContact O-CA 3.46Å; L142-L151 HydrophobicContact CB-CD1 4.31Å; L151-P154 HydrophobicContact CD2-CB 3.71Å; L151-P154 HydrophobicContact CD2-CG 4.32Å; L151-P154 HydrophobicContact CG-CB 4.11Å; L151-F156 HydrophobicContact CD2-CE2 4.28Å; L151-L181 HydrophobicContact CD2-CD1 4.09Å; L151-I184 HydrophobicContact CB-CG2 3.84Å; L151-A186 PolarHBondContact N-O 3.41Å; L151-V187 HydrophobicContact CB-CG2 4.06Å; L151-V187 HydrophobicContact CD2-CG2 4.4Å; L151-V187 CarbonylContact O-C 3.52Å; L151-V187 WeakPolarHBondContact O-CA 3.49Å; L151-L188 PolarHBondContact O-N 2.73Å; L151-L205 HydrophobicContact CD2-CD1 4.03Å; L151-L205 HydrophobicContact CD2-CD2 4.11Å
152	T	98.9	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	142.9	178.3	64.1	0	0	0	0	110.7	A139 T140 V141 L188 F285 F287	A139-T152 PolarHBondContact O-OG1 2.83Å; T140-T152 VanDerWaalsContact CA-O 3.28Å; T140-T152 WeakPolarHBondContact CA-O 3.45Å; V141-T152 HydrophobicContact CG2-CG2 3.74Å; V141-T152 WeakPolarHBondContact CG2-OG1 3.21Å; V141-T152 PolarHBondContact N-OG1 2.7Å; V141-T152 PolarHBondContact O-N 2.82Å; T152-L188 WeakPolarHBondContact CA-O 3.37Å; T152-L188 HydrophobicContact CG2-CB 4.4Å; T152-L188 HydrophobicContact CG2-CD1 4.33Å; T152-F285 HydrophobicContact CG2-CE1 4.25Å; T152-F285 HydrophobicContact CG2-CZ 4.46Å; T152-F287 HydrophobicContact CG2-CB 4.18Å; T152-F287 HydrophobicContact CG2-CD1 3.87Å; T152-F287 HydrophobicContact CG2-CD2 3.93Å; T152-F287 HydrophobicContact CG2-CE1 4.19Å; T152-F287 HydrophobicContact CG2-CE2 4.24Å; T152-F287 HydrophobicContact CG2-CG 3.73Å; T152-F287 HydrophobicContact CG2-CZ 4.37Å
153	D	98.8	Very high	95.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	32.6	61.8	169.3	-70.2	-11.9	0	0	0	114.5	A139 T140 I155 L188 I189 S190 H196 F287	A139-D153 HydrophobicContact CB-CB 4.11Å; T140-D153 PolarHBondContact OG1-O 3.12Å; D153-I155 PolarHBondContact O-N 2.75Å; D153-L188 PolarHBondContact N-O 3.24Å; D153-I189 VanDerWaalsContact OD1-CA 3.23Å; D153-I189 WeakPolarHBondContact OD1-CA 3.45Å; D153-S190 PolarHBondContact OD1-N 3.44Å; D153-S190 PolarHBondContact OD1-OG 2.8Å; D153-S190 WeakPolarHBondContact OD2-CB 3.41Å; D153-S190 PolarHBondContact OD2-OG 2.94Å; D153-H196 CarbonylContact C-O 3.35Å; D153-H196 WeakPolarHBondContact CA-O 3.19Å; D153-H196 HydrophobicContact CB-CB 3.99Å; D153-H196 IonicContact OD2-CE1 3.86Å; D153-H196 IonicContact OD2-CG 3.57Å; D153-H196 IonicContact OD2-ND1 3.96Å; D153-H196 PolarHBondContact OD2-ND1 3.31Å; D153-F287 HydrophobicContact CB-CE1 4.48Å; D153-F287 HydrophobicContact CB-CZ 4.08Å; D153-F287 VanDerWaalsContact OD2-CE1 3.32Å; D153-F287 WeakPolarHBondContact OD2-CE1 3.38Å; D153-F287 WeakPolarHBondContact OD2-CZ 3.3Å
154	P	98.7	Very high	94.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	16%	0.161	C	C	.	.			trans	-71.3	119.8	-169.6	26.9	-33.4	0	0	0	112	T140 L151 F156 V187 S201 L205	T140-P154 HydrophobicContact CG2-CB 4.46Å; L151-P154 HydrophobicContact CD2-CB 3.71Å; L151-P154 HydrophobicContact CD2-CG 4.32Å; L151-P154 HydrophobicContact CG-CB 4.11Å; P154-F156 HydrophobicContact CB-CD2 4.34Å; P154-F156 HydrophobicContact CB-CE2 3.93Å; P154-V187 HydrophobicContact CG-CG1 3.92Å; P154-S201 WeakPolarHBondContact O-CB 3.5Å; P154-S201 PolarHBondContact O-OG 3.23Å; P154-L205 HydrophobicContact CB-CD1 3.79Å; P154-L205 HydrophobicContact CG-CD1 3.63Å
155	I	98.3	Very high	94.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.19	C	C	.	.			trans	-129.9	101.4	169.7	-179.2	163.4	0	0	0	111.8	H138 T140 D153 A160 R170 D195 D198 S201 F353	H138-I155 HydrophobicContact CB-CG2 4.36Å; T140-I155 PolarHBondContact OG1-N 3.28Å; T140-I155 VanDerWaalsContact OG1-N 3.17Å; D153-I155 PolarHBondContact O-N 2.75Å; I155-A160 HydrophobicContact CD1-CB 3.9Å; I155-R170 PolarHBondContact O-NH1 2.7Å; I155-D195 HydrophobicContact CD1-CB 4.49Å; I155-D195 VanDerWaalsContact CG2-O 3.27Å; I155-D195 WeakPolarHBondContact CG2-O 3.09Å; I155-D198 HydrophobicContact CB-CB 4.04Å; I155-D198 HydrophobicContact CD1-CB 4.26Å; I155-D198 HydrophobicContact CG1-CB 3.91Å; I155-S201 WeakPolarHBondContact CA-OG 3.4Å; I155-F353 HydrophobicContact CD1-CE1 4.49Å; I155-F353 HydrophobicContact CD1-CE2 4.03Å; I155-F353 HydrophobicContact CD1-CZ 3.57Å; I155-F353 HydrophobicContact CG1-CZ 4.22Å; I155-F353 HydrophobicContact CG2-CE2 4.29Å
156	F	98.1	Very high	93.8	Very high	27 Å²	27	41.7 Å²	41.7	12%	0.118	21%	0.212	C	C	.	.			trans	-98.7	-13.7	174.1	-66.5	-92.7	0	0	0	112.5	L136 L151 P154 P174 C176 V178 L181 S201	L136-F156 HydrophobicContact CD1-CZ 4.16Å; L151-F156 HydrophobicContact CD2-CE2 4.28Å; P154-F156 HydrophobicContact CB-CD2 4.34Å; P154-F156 HydrophobicContact CB-CE2 3.93Å; F156-P174 HydrophobicContact CD1-CB 3.94Å; F156-P174 HydrophobicContact CD1-CG 4.44Å; F156-C176 WeakPolarHBondContact CD1-O 3.26Å; F156-V178 HydrophobicContact CB-CG2 4.23Å; F156-V178 HydrophobicContact CD1-CG2 4.2Å; F156-V178 HydrophobicContact CD2-CG2 3.72Å; F156-V178 HydrophobicContact CE2-CG2 4.14Å; F156-V178 HydrophobicContact CG-CG2 3.77Å; F156-L181 HydrophobicContact CE1-CD1 4.46Å; F156-L181 HydrophobicContact CE2-CD1 4.26Å; F156-L181 HydrophobicContact CZ-CD1 3.77Å; F156-L181 HydrophobicContact CZ-CD2 4.17Å; F156-L181 HydrophobicContact CZ-CG 4.32Å; F156-S201 PolarHBondContact N-OG 3.06Å
157	S	97.3	Very high	93.9	Very high	21 Å²	21	41.6 Å²	41.6	15%	0.147	22%	0.221	C	C	.	.	S	Bend	trans	-64	158.3	174.8	-67	0	0	0	0	112.8	R170 D198	S157-R170 VanDerWaalsContact O-CD 3.29Å; S157-R170 WeakPolarHBondContact O-CD 3Å; S157-R170 PolarHBondContact O-NH1 3.26Å; S157-D198 VanDerWaalsContact CB-OD2 3.23Å; S157-D198 WeakPolarHBondContact CB-OD2 3.32Å; S157-D198 PolarHBondContact N-OD2 2.84Å; S157-D198 PolarHBondContact OG-OD1 2.94Å; S157-D198 VanDerWaalsContact OG-OD1 3.11Å; S157-D198 PolarHBondContact OG-OD2 3.03Å
158	Q	95.1	Very high	94	Very high	93 Å²	93	41.3 Å²	41.3	44%	0.435	21%	0.208	S	C	.	.	S	Bend	trans	-76.6	-28.8	177.2	-71.3	-63	-43.6	0	0	112.8	K169 R170	Q158-K169 WeakPolarHBondContact O-CA 3.29Å; Q158-R170 PolarHBondContact O-N 2.69Å
159	R	96.1	Very high	94	Very high	65 Å²	65	47.1 Å²	47.1	25%	0.245	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-124.5	135.7	178.4	-62.5	-164.7	-174.6	-102	0.5	112.2	S161 Q164 G167 P168 K169	R159-S161 VanDerWaalsContact C-N 3.29Å; R159-S161 PolarHBondContact O-N 3.11Å; R159-S161 VanDerWaalsContact O-N 3.11Å; R159-Q164 WeakPolarHBondContact CD-O 3.49Å; R159-Q164 PolarHBondContact NE-O 3.4Å; R159-Q164 PolarHBondContact O-NE2 2.95Å; R159-G167 PolarHBondContact NH1-O 2.95Å; R159-P168 CarbonylContact C-O 3.58Å; R159-P168 WeakPolarHBondContact CA-O 3.46Å; R159-P168 WeakPolarHBondContact CB-O 3.41Å; R159-K169 HydrophobicContact CG-CB 4.1Å; R159-K169 HydrophobicContact CG-CG 4.27Å
160	A	95.6	Very high	94	Very high	8 Å²	8	46.3 Å²	46.3	7%	0.066	23%	0.229	C	C	.	.	S	Bend	trans	-81.9	76.5	167.7	0	0	0	0	0	109.2	I155 P168 Y194 D195 F353	I155-A160 HydrophobicContact CD1-CB 3.9Å; A160-P168 PolarHBondContact N-O 3.14Å; A160-P168 WeakPolarHBondContact O-CD 3.36Å; A160-Y194 VanDerWaalsContact C-CB 3.5Å; A160-D195 HydrophobicContact CB-CB 3.54Å; A160-F353 HydrophobicContact CB-CD1 4.33Å; A160-F353 HydrophobicContact CB-CE1 3.91Å; A160-F353 HydrophobicContact CB-CZ 4.21Å
161	S	93.4	Very high	93.9	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.084	24%	0.236	C	C	.	.	S	Bend	trans	-161	155.6	-173.7	178.5	0	0	0	0	112.2	R159 L163 Q164 M166	R159-S161 VanDerWaalsContact C-N 3.29Å; R159-S161 PolarHBondContact O-N 3.11Å; R159-S161 VanDerWaalsContact O-N 3.11Å; S161-L163 WeakPolarHBondContact CB-O 3.32Å; S161-L163 PolarHBondContact O-N 3.22Å; S161-L163 PolarHBondContact OG-N 3.35Å; S161-L163 VanDerWaalsContact OG-N 3.11Å; S161-L163 PolarHBondContact OG-O 2.92Å; S161-L163 VanDerWaalsContact OG-O 3.09Å; S161-Q164 PolarHBondContact O-NE2 2.94Å; S161-M166 WeakPolarHBondContact CB-O 3.45Å; S161-M166 PolarHBondContact OG-O 3.16Å
162	F	87.7	Confident	93.7	Very high	131 Å²	131	48.7 Å²	48.7	58%	0.575	24%	0.238	S	C	*	.	S	Bend	trans	-65.2	-26.3	169	81	-79.2	0	0	0	113	M166 Y194	F162-M166 HydrophobicContact CE1-CE 3.92Å; F162-M166 HydrophobicContact CZ-CE 4.06Å; F162-Y194 HydrophobicContact CB-CE1 3.66Å; F162-Y194 HydrophobicContact CB-CE2 4.47Å; F162-Y194 WeakPolarHBondContact CB-OH 3.41Å
163	L	87.6	Confident	93.4	Very high	49 Å²	49	50 Å²	50	26%	0.257	25%	0.251	S	S	.	.	S	Bend	trans	-114.7	122.7	175.3	-63.4	172.4	0	0	0	109.8	S161 F165 M166	S161-L163 WeakPolarHBondContact CB-O 3.32Å; S161-L163 PolarHBondContact O-N 3.22Å; S161-L163 PolarHBondContact OG-N 3.35Å; S161-L163 VanDerWaalsContact OG-N 3.11Å; S161-L163 PolarHBondContact OG-O 2.92Å; S161-L163 VanDerWaalsContact OG-O 3.09Å; L163-F165 HydrophobicContact CB-CD1 4.07Å; L163-F165 HydrophobicContact CB-CE1 3.86Å; L163-F165 HydrophobicContact CB-CE2 4.43Å; L163-F165 HydrophobicContact CB-CG 4.47Å; L163-F165 HydrophobicContact CB-CZ 4.06Å; L163-F165 HydrophobicContact CD1-CE1 3.98Å; L163-F165 HydrophobicContact CD1-CE2 3.87Å; L163-F165 HydrophobicContact CD1-CZ 3.41Å; L163-F165 VanDerWaalsContact CD1-CZ 3.41Å; L163-F165 HydrophobicContact CD2-CE1 3.78Å; L163-F165 HydrophobicContact CD2-CZ 4.05Å; L163-F165 HydrophobicContact CG-CE1 4.04Å; L163-F165 HydrophobicContact CG-CZ 4Å; L163-F165 PolarHBondContact O-N 3.03Å; L163-M166 HydrophobicContact CB-CB 4.25Å; L163-M166 HydrophobicContact CD1-CE 3.81Å; L163-M166 PolarHBondContact O-N 3.49Å; L163-M166 VanDerWaalsContact O-N 3.09Å
164	Q	84.8	Confident	93.3	Very high	95 Å²	95	51.5 Å²	51.5	44%	0.444	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.1	-179.6	-66.4	-59.9	-51.6	0	0	114.2	R159 S161	R159-Q164 WeakPolarHBondContact CD-O 3.49Å; R159-Q164 PolarHBondContact NE-O 3.4Å; R159-Q164 PolarHBondContact O-NE2 2.95Å; S161-Q164 PolarHBondContact O-NE2 2.94Å
165	F	86.1	Confident	93.2	Very high	155 Å²	155	52.2 Å²	52.2	68%	0.68	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.9	172	63.4	-96.4	0	0	0	114.4	L163	L163-F165 HydrophobicContact CB-CD1 4.07Å; L163-F165 HydrophobicContact CB-CE1 3.86Å; L163-F165 HydrophobicContact CB-CE2 4.43Å; L163-F165 HydrophobicContact CB-CG 4.47Å; L163-F165 HydrophobicContact CB-CZ 4.06Å; L163-F165 HydrophobicContact CD1-CE1 3.98Å; L163-F165 HydrophobicContact CD1-CE2 3.87Å; L163-F165 HydrophobicContact CD1-CZ 3.41Å; L163-F165 VanDerWaalsContact CD1-CZ 3.41Å; L163-F165 HydrophobicContact CD2-CE1 3.78Å; L163-F165 HydrophobicContact CD2-CZ 4.05Å; L163-F165 HydrophobicContact CG-CE1 4.04Å; L163-F165 HydrophobicContact CG-CZ 4Å; L163-F165 PolarHBondContact O-N 3.03Å
166	M	86.8	Confident	93.2	Very high	96 Å²	96	52.3 Å²	52.3	47%	0.473	27%	0.267	S	S	.	.	S	Bend	trans	-136.5	154.4	-174.8	-171.9	173.2	72.8	0	0	111.3	S161 F162 L163	S161-M166 WeakPolarHBondContact CB-O 3.45Å; S161-M166 PolarHBondContact OG-O 3.16Å; F162-M166 HydrophobicContact CE1-CE 3.92Å; F162-M166 HydrophobicContact CZ-CE 4.06Å; L163-M166 HydrophobicContact CB-CB 4.25Å; L163-M166 HydrophobicContact CD1-CE 3.81Å; L163-M166 PolarHBondContact O-N 3.49Å; L163-M166 VanDerWaalsContact O-N 3.09Å
167	G	90.2	Very high	93.2	Very high	35 Å²	35	54.1 Å²	54.1	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	90.8	-178.1	-179.4	0	0	0	0	0	113.8	R159 K169	R159-G167 PolarHBondContact NH1-O 2.95Å; G167-K169 PolarHBondContact O-N 2.62Å
168	P	92.6	Very high	93.2	Very high	53 Å²	53	53.4 Å²	53.4	34%	0.344	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-58.5	123.2	-171.5	-23.9	33	0	0	0	112.4	R159 A160 F353 L355	R159-P168 CarbonylContact C-O 3.58Å; R159-P168 WeakPolarHBondContact CA-O 3.46Å; R159-P168 WeakPolarHBondContact CB-O 3.41Å; A160-P168 PolarHBondContact N-O 3.14Å; A160-P168 WeakPolarHBondContact O-CD 3.36Å; P168-F353 HydrophobicContact CB-CD1 4.33Å; P168-L355 HydrophobicContact CB-CD2 3.86Å; P168-L355 HydrophobicContact CG-CD2 3.94Å
169	K	94.4	Very high	93.3	Very high	121 Å²	121	54.6 Å²	54.6	53%	0.526	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-98.2	136.3	171.7	-171.4	-176.4	174.5	-175.4	0	108.9	Q158 R159 G167	Q158-K169 WeakPolarHBondContact O-CA 3.29Å; R159-K169 HydrophobicContact CG-CB 4.1Å; R159-K169 HydrophobicContact CG-CG 4.27Å; G167-K169 PolarHBondContact O-N 2.62Å
170	R	95.7	Very high	93.3	Very high	8 Å²	8	55.3 Å²	55.3	3%	0.03	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-65.4	139.9	172.3	67	-160	-52.9	166.5	4.8	110.9	I155 S157 Q158 R172 T352 F353	I155-R170 PolarHBondContact O-NH1 2.7Å; S157-R170 VanDerWaalsContact O-CD 3.29Å; S157-R170 WeakPolarHBondContact O-CD 3Å; S157-R170 PolarHBondContact O-NH1 3.26Å; Q158-R170 PolarHBondContact O-N 2.69Å; R170-R172 WeakPolarHBondContact CB-O 3.37Å; R170-R172 WeakPolarHBondContact CG-O 3.46Å; R170-R172 PolarHBondContact NE-O 3.08Å; R170-T352 CarbonylContact C-O 3.58Å; R170-T352 VanDerWaalsContact CA-O 3.23Å; R170-T352 WeakPolarHBondContact CA-O 3.44Å; R170-T352 HydrophobicContact CB-CG2 4.18Å; R170-T352 WeakPolarHBondContact CB-O 3.33Å; R170-F353 HydrophobicContact CB-CD1 3.83Å; R170-F353 HydrophobicContact CB-CD2 4.46Å; R170-F353 HydrophobicContact CB-CE1 3.51Å; R170-F353 HydrophobicContact CB-CE2 4.17Å; R170-F353 HydrophobicContact CB-CG 4.3Å; R170-F353 HydrophobicContact CB-CZ 3.69Å; R170-F353 HydrophobicContact CG-CE1 4.47Å; R170-F353 VanDerWaalsContact N-CE1 3.34Å
171	Y	96	Very high	93.4	Very high	40 Å²	40	55.1 Å²	55.1	16%	0.157	28%	0.284	C	S	.	.	S	Bend	trans	-92.9	-17.8	171.9	54.3	-101.1	0	0	0	112.1	V100 L107 L111 G351 T352 A354 Y360	V100-Y171 HydrophobicContact CG1-CD1 3.8Å; V100-Y171 HydrophobicContact CG1-CD2 4.16Å; V100-Y171 HydrophobicContact CG1-CE1 4.43Å; V100-Y171 HydrophobicContact CG1-CG 3.63Å; V100-Y171 HydrophobicContact CG2-CD1 3.97Å; V100-Y171 HydrophobicContact CG2-CE1 3.94Å; L107-Y171 HydrophobicContact CD2-CD2 4.26Å; L111-Y171 HydrophobicContact CD1-CE2 4.19Å; Y171-G351 WeakPolarHBondContact CE2-O 3.27Å; Y171-G351 WeakPolarHBondContact OH-CA 3.33Å; Y171-G351 PolarHBondContact OH-N 3.47Å; Y171-T352 VanDerWaalsContact CD1-O 3.28Å; Y171-T352 WeakPolarHBondContact CD1-O 3.49Å; Y171-T352 WeakPolarHBondContact CE1-O 3.32Å; Y171-T352 VanDerWaalsContact CZ-N 3.26Å; Y171-T352 PolarHBondContact N-O 2.88Å; Y171-T352 PolarHBondContact OH-N 3.49Å; Y171-A354 HydrophobicContact CE1-CB 4.37Å; Y171-Y360 HydrophobicContact CE2-CD2 4.15Å
172	R	95.5	Very high	93.5	Very high	11 Å²	11	54.9 Å²	54.9	4%	0.042	28%	0.282	C	S	.	.	S	Bend	trans	-115.9	124.1	164.6	-62.9	-38.9	-134.3	150.6	23.5	111.4	L107 D108 L111 V113 R170 G351	L107-R172 VanDerWaalsContact CB-CZ 3.48Å; L107-R172 VanDerWaalsContact CB-NH1 3.25Å; L107-R172 PolarHBondContact O-NH2 3.38Å; D108-R172 VanDerWaalsContact N-NH2 3.17Å; D108-R172 IonicContact OD1-CZ 3.84Å; D108-R172 VanDerWaalsContact OD1-CZ 3.32Å; D108-R172 IonicContact OD1-NH1 3.27Å; D108-R172 PolarHBondContact OD1-NH1 3.38Å; D108-R172 IonicContact OD1-NH2 2.68Å; D108-R172 PolarHBondContact OD1-NH2 3.01Å; L111-R172 VanDerWaalsContact C-NH2 3.28Å; L111-R172 HydrophobicContact CB-CG 4.41Å; L111-R172 PolarHBondContact O-NE 3.5Å; L111-R172 PolarHBondContact O-NH2 3.44Å; V113-R172 HydrophobicContact CG2-CB 4.11Å; V113-R172 HydrophobicContact CG2-CG 4.44Å; R170-R172 WeakPolarHBondContact CB-O 3.37Å; R170-R172 WeakPolarHBondContact CG-O 3.46Å; R170-R172 PolarHBondContact NE-O 3.08Å; R172-G351 WeakPolarHBondContact CG-O 3.42Å
173	G	93.6	Very high	93.9	Very high	27 Å²	27	54.8 Å²	54.8	28%	0.278	28%	0.278	S	S	.	.			trans	-68	162.2	177.5	0	0	0	0	0	112.2
174	P	95.8	Very high	94.4	Very high	32 Å²	32	52.5 Å²	52.5	21%	0.208	27%	0.266	C	S	.	.			trans	-64.1	143.1	171.8	31	-33.7	0	0	0	109.4	F156 C176	F156-P174 HydrophobicContact CD1-CB 3.94Å; F156-P174 HydrophobicContact CD1-CG 4.44Å; P174-C176 PolarHBondContact O-N 2.92Å
175	P	96.8	Very high	95	Very high	15 Å²	15	48.2 Å²	48.2	10%	0.097	25%	0.247	C	C	.	.	S	Bend	trans	-75	-12.5	-176.7	31.5	-37.4	0	0	0	113.6	V113 L114 P116 L136 G387	V113-P175 HydrophobicContact CG1-CB 3.81Å; L114-P175 WeakPolarHBondContact O-CB 3.23Å; P116-P175 WeakPolarHBondContact CD-O 3.18Å; P116-P175 HydrophobicContact CG-CB 4.01Å; P116-P175 HydrophobicContact CG-CG 4.15Å; L136-P175 HydrophobicContact CB-CG 4.19Å; L136-P175 HydrophobicContact CD2-CG 3.64Å; L136-P175 WeakPolarHBondContact O-CD 3.42Å; P175-G387 VanDerWaalsContact CB-CA 3.5Å
176	C	97.6	Very high	95.6	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.034	21%	0.214	C	C	.	.	S	Bend	trans	-149.1	167.6	174.9	68.9	0	0	0	0	110.5	P116 F118 V119 F156 P174 Q180	P116-C176 HydrophobicContact CG-CB 4.03Å; F118-C176 HydrophobicContact CE2-CB 4.37Å; V119-C176 HydrophobicContact CG2-CB 4.12Å; F156-C176 WeakPolarHBondContact CD1-O 3.26Å; P174-C176 PolarHBondContact O-N 2.92Å; C176-Q180 HydrophobicContact CB-CB 4.06Å
177	T	98	Very high	96.2	Very high	64 Å²	64	36.3 Å²	36.3	39%	0.393	19%	0.192	S	C	.	.			trans	-88.7	169.2	170.3	78.5	0	0	0	0	111.6	E179 Q180 L181	T177-E179 WeakPolarHBondContact CB-OE2 3.46Å; T177-E179 PolarHBondContact O-N 3.42Å; T177-E179 PolarHBondContact OG1-N 3.07Å; T177-E179 PolarHBondContact OG1-OE2 3.23Å; T177-Q180 PolarHBondContact O-N 2.79Å; T177-Q180 PolarHBondContact OG1-N 2.8Å; T177-L181 PolarHBondContact O-N 3.01Å
178	V	98.1	Very high	96.6	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.036	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-62.2	-33.1	175	170.9	0	0	0	0	111	F156 Q180 L181 L205 R208	F156-V178 HydrophobicContact CB-CG2 4.23Å; F156-V178 HydrophobicContact CD1-CG2 4.2Å; F156-V178 HydrophobicContact CD2-CG2 3.72Å; F156-V178 HydrophobicContact CE2-CG2 4.14Å; F156-V178 HydrophobicContact CG-CG2 3.77Å; V178-Q180 VanDerWaalsContact C-N 3.29Å; V178-Q180 PolarHBondContact O-N 2.99Å; V178-L181 PolarHBondContact O-N 3.27Å; V178-L205 HydrophobicContact CG1-CD2 3.83Å; V178-L205 HydrophobicContact CG1-CG 4.13Å; V178-L205 HydrophobicContact CG2-CG 4.5Å; V178-R208 PolarHBondContact O-NH1 2.9Å
179	E	97.1	Very high	96.9	Very high	118 Å²	118	32.1 Å²	32.1	55%	0.551	16%	0.158	S	C	*	.	G	3₁₀ helix	trans	-69.6	-26.2	179.1	-60.1	69.6	-150.2	0	0	112.8	T177 R208	T177-E179 WeakPolarHBondContact CB-OE2 3.46Å; T177-E179 PolarHBondContact O-N 3.42Å; T177-E179 PolarHBondContact OG1-N 3.07Å; T177-E179 PolarHBondContact OG1-OE2 3.23Å; E179-R208 PolarHBondContact O-NH1 3.46Å; E179-R208 PolarHBondContact O-NH2 3.36Å
180	Q	96.8	Very high	97.1	Very high	80 Å²	80	26.4 Å²	26.4	37%	0.374	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-86	-11.4	179.8	-69	177	-50.4	0	0	113.4	F118 V119 C176 T177 V178	F118-Q180 WeakPolarHBondContact CD2-O 3.44Å; F118-Q180 WeakPolarHBondContact CE2-O 3.3Å; V119-Q180 HydrophobicContact CG2-CB 4.1Å; C176-Q180 HydrophobicContact CB-CB 4.06Å; T177-Q180 PolarHBondContact O-N 2.79Å; T177-Q180 PolarHBondContact OG1-N 2.8Å; V178-Q180 VanDerWaalsContact C-N 3.29Å; V178-Q180 PolarHBondContact O-N 2.99Å
181	L	97.3	Very high	97.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.132	C	C	.	.	S	Bend	trans	-61.2	151.8	176.5	-67.8	171.1	0	0	0	110.8	F118 L136 L151 F156 T177 V178 I184 L205 R208	F118-L181 HydrophobicContact CE2-CD2 4.46Å; F118-L181 HydrophobicContact CZ-CD2 4.19Å; L136-L181 HydrophobicContact CD1-CD2 3.88Å; L151-L181 HydrophobicContact CD2-CD1 4.09Å; F156-L181 HydrophobicContact CE1-CD1 4.46Å; F156-L181 HydrophobicContact CE2-CD1 4.26Å; F156-L181 HydrophobicContact CZ-CD1 3.77Å; F156-L181 HydrophobicContact CZ-CD2 4.17Å; F156-L181 HydrophobicContact CZ-CG 4.32Å; T177-L181 PolarHBondContact O-N 3.01Å; V178-L181 PolarHBondContact O-N 3.27Å; L181-I184 HydrophobicContact CB-CD1 4.39Å; L181-I184 HydrophobicContact CB-CG1 4.46Å; L181-I184 HydrophobicContact CD1-CG1 4.41Å; L181-L205 HydrophobicContact CD1-CD2 3.98Å; L181-R208 VanDerWaalsContact O-CZ 3.25Å; L181-R208 PolarHBondContact O-NH1 3.03Å; L181-R208 PolarHBondContact O-NH2 3Å
182	P	95.3	Very high	97.4	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.052	13%	0.126	C	C	.	.			trans	-64.2	177.9	162.7	31.2	-35.4	0	0	0	110.7	L125 L142 I184 F209	L125-P182 HydrophobicContact CD1-CB 3.68Å; L125-P182 HydrophobicContact CD2-CB 3.58Å; L125-P182 HydrophobicContact CD2-CG 4Å; L125-P182 HydrophobicContact CG-CB 4.31Å; L142-P182 HydrophobicContact CD1-CG 4.36Å; L142-P182 HydrophobicContact CD2-CG 3.71Å; P182-I184 HydrophobicContact CG-CD1 4.31Å; P182-I184 PolarHBondContact O-N 2.93Å; P182-F209 WeakPolarHBondContact O-CZ 3.39Å
183	R	95.1	Very high	97.5	Very high	128 Å²	128	24.7 Å²	24.7	48%	0.483	13%	0.128	S	C	.	.			trans	-52.4	133.7	166.6	-178.4	173.6	-174.9	-117.4	0.2	109	N149 D185 E212	N149-R183 WeakPolarHBondContact CB-O 3.29Å; N149-R183 PolarHBondContact ND2-O 2.75Å; R183-D185 IonicContact CZ-OD1 3.37Å; R183-D185 IonicContact NE-OD1 3.2Å; R183-D185 IonicContact NH1-OD1 3.92Å; R183-D185 PolarHBondContact NH1-OD1 2.79Å; R183-D185 IonicContact NH2-OD1 3.54Å; R183-E212 IonicContact CZ-OE2 3.6Å; R183-E212 IonicContact NE-OE2 3.55Å; R183-E212 IonicContact NH2-OE2 2.81Å; R183-E212 PolarHBondContact NH2-OE2 3.21Å
184	I	98	Very high	97.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.125	C	C	.	.			trans	-113.9	121.5	175.4	-53	-58.7	0	0	0	107.7	L142 N149 L151 L181 P182 A186 V187 F209 L213	L142-I184 HydrophobicContact CD1-CD1 3.57Å; N149-I184 HydrophobicContact CB-CD1 4.41Å; L151-I184 HydrophobicContact CB-CG2 3.84Å; L181-I184 HydrophobicContact CB-CD1 4.39Å; L181-I184 HydrophobicContact CB-CG1 4.46Å; L181-I184 HydrophobicContact CD1-CG1 4.41Å; P182-I184 HydrophobicContact CG-CD1 4.31Å; P182-I184 PolarHBondContact O-N 2.93Å; I184-A186 WeakPolarHBondContact CG2-O 3.41Å; I184-V187 HydrophobicContact CG2-CG2 4.22Å; I184-F209 HydrophobicContact CB-CD2 4.33Å; I184-F209 HydrophobicContact CB-CE2 3.97Å; I184-F209 HydrophobicContact CB-CZ 4.26Å; I184-F209 HydrophobicContact CG1-CE2 3.68Å; I184-F209 HydrophobicContact CG1-CZ 3.83Å; I184-L213 HydrophobicContact CB-CD1 4.24Å; I184-L213 HydrophobicContact CG2-CD1 3.76Å
185	D	98.2	Very high	97.8	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.027	12%	0.119	C	C	.	.			trans	-91.3	-33.6	-178	-57	-71.2	0	0	0	111.2	V148 N149 R183 R214	V148-D185 HydrophobicContact CG1-CB 3.79Å; N149-D185 PolarHBondContact N-OD2 3.39Å; N149-D185 PolarHBondContact O-N 2.88Å; R183-D185 IonicContact CZ-OD1 3.37Å; R183-D185 IonicContact NE-OD1 3.2Å; R183-D185 IonicContact NH1-OD1 3.92Å; R183-D185 PolarHBondContact NH1-OD1 2.79Å; R183-D185 IonicContact NH2-OD1 3.54Å; D185-R214 PolarHBondContact O-N 2.82Å
186	A	98.8	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.5	-178.6	0	0	0	0	0	112.4	N149 I150 L151 I184 R214 F216 V244 F252	N149-A186 PolarHBondContact O-N 2.83Å; I150-A186 CarbonylContact C-O 3.56Å; I150-A186 WeakPolarHBondContact CA-O 3.25Å; I150-A186 HydrophobicContact CG1-CB 4.34Å; I150-A186 HydrophobicContact CG2-CB 4.39Å; L151-A186 PolarHBondContact N-O 3.41Å; I184-A186 WeakPolarHBondContact CG2-O 3.41Å; A186-R214 CarbonylContact C-O 3.59Å; A186-R214 VanDerWaalsContact CA-O 3.28Å; A186-R214 WeakPolarHBondContact CA-O 3.33Å; A186-F216 HydrophobicContact CB-CD2 4.06Å; A186-F216 HydrophobicContact CB-CE2 3.77Å; A186-V244 HydrophobicContact CB-CG2 3.92Å; A186-F252 HydrophobicContact CB-CE1 3.92Å; A186-F252 HydrophobicContact CB-CZ 3.92Å
187	V	98.9	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.3	162.2	167.9	0	0	0	0	109.6	L151 P154 I184 I189 L205 L213 R214 W215 F216	L151-V187 HydrophobicContact CB-CG2 4.06Å; L151-V187 HydrophobicContact CD2-CG2 4.4Å; L151-V187 CarbonylContact O-C 3.52Å; L151-V187 WeakPolarHBondContact O-CA 3.49Å; P154-V187 HydrophobicContact CG-CG1 3.92Å; I184-V187 HydrophobicContact CG2-CG2 4.22Å; V187-I189 HydrophobicContact CG1-CD1 3.67Å; V187-I189 HydrophobicContact CG1-CG1 4.13Å; V187-L205 HydrophobicContact CG2-CD1 4.29Å; V187-L213 HydrophobicContact CB-CD1 4.44Å; V187-L213 HydrophobicContact CG2-CD1 3.88Å; V187-L213 HydrophobicContact CG2-CD2 4.16Å; V187-R214 PolarHBondContact N-O 3.29Å; V187-W215 HydrophobicContact CB-CD2 4.25Å; V187-W215 HydrophobicContact CB-CE3 3.7Å; V187-W215 HydrophobicContact CB-CZ3 3.88Å; V187-W215 HydrophobicContact CG1-CE3 3.54Å; V187-W215 HydrophobicContact CG1-CH2 4.47Å; V187-W215 HydrophobicContact CG1-CZ3 3.51Å; V187-W215 HydrophobicContact CG2-CE3 4.29Å; V187-W215 HydrophobicContact CG2-CH2 4.28Å; V187-W215 HydrophobicContact CG2-CZ3 4.05Å; V187-F216 PolarHBondContact O-N 2.93Å
188	L	98.9	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.3	173.7	-48	-175.4	0	0	0	109.2	I150 L151 T152 D153 F216 F252 W276 V278	I150-L188 HydrophobicContact CG2-CD1 3.67Å; I150-L188 HydrophobicContact CG2-CD2 4.22Å; I150-L188 HydrophobicContact CG2-CG 3.63Å; L151-L188 PolarHBondContact O-N 2.73Å; T152-L188 WeakPolarHBondContact CA-O 3.37Å; T152-L188 HydrophobicContact CG2-CB 4.4Å; T152-L188 HydrophobicContact CG2-CD1 4.33Å; D153-L188 PolarHBondContact N-O 3.24Å; L188-F216 HydrophobicContact CD2-CB 3.77Å; L188-F216 HydrophobicContact CD2-CD2 3.78Å; L188-F216 HydrophobicContact CD2-CG 4Å; L188-F252 HydrophobicContact CD1-CD1 4.49Å; L188-F252 HydrophobicContact CD2-CD1 3.57Å; L188-F252 HydrophobicContact CD2-CE1 3.89Å; L188-W276 HydrophobicContact CB-CD2 4.39Å; L188-W276 HydrophobicContact CB-CG 4.06Å; L188-W276 HydrophobicContact CD1-CB 3.8Å; L188-W276 HydrophobicContact CD1-CG 4.07Å; L188-W276 HydrophobicContact CD2-CD2 4.41Å; L188-W276 HydrophobicContact CD2-CE3 4.49Å; L188-W276 HydrophobicContact CG-CG 4.48Å; L188-V278 HydrophobicContact CD1-CG2 3.9Å
189	I	98.9	Very high	98	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.108	C	C	.	.			trans	-101.1	122	172.3	-57	-57.9	0	0	0	108.5	D153 V187 H191 L197 F216 V217 P218 L221 W276	D153-I189 VanDerWaalsContact OD1-CA 3.23Å; D153-I189 WeakPolarHBondContact OD1-CA 3.45Å; V187-I189 HydrophobicContact CG1-CD1 3.67Å; V187-I189 HydrophobicContact CG1-CG1 4.13Å; I189-H191 WeakPolarHBondContact CG2-O 3.35Å; I189-L197 HydrophobicContact CD1-CD1 4Å; I189-L197 HydrophobicContact CG1-CD1 4.2Å; I189-L197 HydrophobicContact CG2-CB 4.37Å; I189-L197 HydrophobicContact CG2-CD1 4.21Å; I189-F216 PolarHBondContact N-O 3.48Å; I189-V217 HydrophobicContact CB-CG1 4Å; I189-V217 HydrophobicContact CG1-CG1 3.94Å; I189-P218 WeakPolarHBondContact O-CD 3.46Å; I189-L221 HydrophobicContact CG2-CD1 3.95Å; I189-W276 PolarHBondContact O-NE1 3.49Å
190	S	98.9	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.			trans	-77.6	-44.1	176.7	62.6	0	0	0	0	111.9	D153 W273 S274	D153-S190 PolarHBondContact OD1-N 3.44Å; D153-S190 PolarHBondContact OD1-OG 2.8Å; D153-S190 WeakPolarHBondContact OD2-CB 3.41Å; D153-S190 PolarHBondContact OD2-OG 2.94Å; S190-W273 CarbonylContact O-C 3.6Å; S190-W273 WeakPolarHBondContact O-CA 3.12Å; S190-S274 WeakPolarHBondContact CA-O 3.49Å; S190-S274 WeakPolarHBondContact CB-O 3.31Å; S190-S274 PolarHBondContact O-N 3.32Å; S190-S274 PolarHBondContact O-OG 3.27Å
191	H	98.8	Very high	98.1	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.08	C	C	.	.			trans	-164.4	-177.5	-176.6	69.3	-69.2	0	0	0	111.7	I189 H193 H196 H259 W273 D290	I189-H191 WeakPolarHBondContact CG2-O 3.35Å; H191-H193 AromaticContact CD2-CE1 3.7Å; H191-H193 AromaticContact CD2-CG 3.4Å; H191-H193 AromaticContact CD2-ND1 3.14Å; H191-H193 PolarHBondContact CD2-ND1 2.8Å; H191-H193 WeakPolarHBondContact NE2-CB 3.49Å; H191-H193 AromaticContact NE2-CE1 3.77Å; H191-H193 AromaticContact NE2-CG 3.29Å; H191-H193 VanDerWaalsContact NE2-CG 3.29Å; H191-H193 AromaticContact NE2-ND1 2.84Å; H191-H193 PolarHBondContact NE2-ND1 3.41Å; H191-H196 AromaticContact CE1-CD2 3.3Å; H191-H196 PolarHBondContact CE1-CD2 3.49Å; H191-H196 AromaticContact CE1-CE1 3.7Å; H191-H196 AromaticContact CE1-CG 3.24Å; H191-H196 AromaticContact CE1-ND1 3.5Å; H191-H196 PolarHBondContact CE1-ND1 2.85Å; H191-H196 AromaticContact CE1-NE2 3.65Å; H191-H196 AromaticContact ND1-CG 3.82Å; H191-H196 AromaticContact ND1-ND1 3.94Å; H191-H196 AromaticContact NE2-CD2 3.79Å; H191-H259 AromaticContact CD2-CD2 3.53Å; H191-H259 AromaticContact CD2-NE2 3.84Å; H191-H259 AromaticContact CE1-CD2 3.87Å; H191-H259 AromaticContact CE1-NE2 3.92Å; H191-H259 AromaticContact CG-CD2 3.96Å; H191-H259 AromaticContact NE2-CD2 3.48Å; H191-H259 PolarHBondContact NE2-CD2 3.12Å; H191-H259 AromaticContact NE2-NE2 3.37Å; H191-H259 PolarHBondContact NE2-NE2 3.02Å; H191-W273 HydrophobicContact CB-CB 3.68Å; H191-D290 IonicContact CE1-OD2 3.64Å; H191-D290 PolarHBondContact CE1-OD2 3.39Å; H191-D290 IonicContact NE2-OD2 3.29Å
192	S	98.4	Very high	98.2	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.021	8%	0.079	C	C	.	.	S	Bend	trans	-91.6	0.8	-166.2	68.8	0	0	0	0	116	S261 K262 R263	S192-S261 PolarHBondContact N-OG 3.11Å; S192-S261 WeakPolarHBondContact OG-CA 3.13Å; S192-S261 WeakPolarHBondContact OG-CB 3.1Å; S192-S261 PolarHBondContact OG-OG 3.27Å; S192-K262 PolarHBondContact OG-N 2.75Å; S192-K262 VanDerWaalsContact OG-N 3.12Å; S192-R263 VanDerWaalsContact O-CD 3.24Å; S192-R263 WeakPolarHBondContact O-CD 3.46Å; S192-R263 WeakPolarHBondContact O-CG 3.44Å; S192-R263 PolarHBondContact O-NH1 3.05Å
193	H	98.4	Very high	98.3	Very high	20 Å²	20	16.7 Å²	16.7	9%	0.093	10%	0.095	C	C	.	.	S	Bend	trans	-66.1	156.2	-178.9	-65.4	150.8	0	0	0	112.7	H191 D195 H196 L197 H259 W260 K262	H191-H193 AromaticContact CD2-CE1 3.7Å; H191-H193 AromaticContact CD2-CG 3.4Å; H191-H193 AromaticContact CD2-ND1 3.14Å; H191-H193 PolarHBondContact CD2-ND1 2.8Å; H191-H193 WeakPolarHBondContact NE2-CB 3.49Å; H191-H193 AromaticContact NE2-CE1 3.77Å; H191-H193 AromaticContact NE2-CG 3.29Å; H191-H193 VanDerWaalsContact NE2-CG 3.29Å; H191-H193 AromaticContact NE2-ND1 2.84Å; H191-H193 PolarHBondContact NE2-ND1 3.41Å; H193-D195 VanDerWaalsContact C-N 3.27Å; H193-D195 WeakPolarHBondContact CB-OD1 3.31Å; H193-D195 PolarHBondContact O-N 2.69Å; H193-H196 PolarHBondContact O-N 2.73Å; H193-H196 VanDerWaalsContact O-N 3.11Å; H193-L197 PolarHBondContact O-N 2.81Å; H193-H259 AromaticContact CE1-NE2 3.49Å; H193-H259 PolarHBondContact CE1-NE2 2.91Å; H193-H259 AromaticContact ND1-NE2 3.46Å; H193-H259 PolarHBondContact ND1-NE2 3.22Å; H193-W260 AromaticContact CE1-CD2 3.7Å; H193-W260 AromaticContact CE1-CE2 3.44Å; H193-W260 VanDerWaalsContact CE1-CE2 3.44Å; H193-W260 AromaticContact CE1-CZ2 3.7Å; H193-W260 AromaticContact CE1-NE1 3.74Å; H193-W260 PolarHBondContact CE1-O 2.71Å; H193-W260 AromaticContact NE2-CD2 3.57Å; H193-W260 AromaticContact NE2-CE2 3.6Å; H193-W260 AromaticContact NE2-CE3 3.58Å; H193-W260 AromaticContact NE2-CH2 3.66Å; H193-W260 AromaticContact NE2-CZ2 3.65Å; H193-W260 AromaticContact NE2-CZ3 3.64Å; H193-K262 PolarHBondContact CD2-O 2.86Å
194	Y	98.3	Very high	98.5	Very high	53 Å²	53	13 Å²	13	21%	0.208	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.1	-170.9	-76.7	-75.7	0	0	0	114.6	A160 F162 H196 R263	A160-Y194 VanDerWaalsContact C-CB 3.5Å; F162-Y194 HydrophobicContact CB-CE1 3.66Å; F162-Y194 HydrophobicContact CB-CE2 4.47Å; F162-Y194 WeakPolarHBondContact CB-OH 3.41Å; Y194-H196 VanDerWaalsContact C-N 3.32Å; Y194-R263 HydrophobicContact CE2-CB 4.38Å; Y194-R263 WeakPolarHBondContact CE2-O 3.32Å; Y194-R263 PolarHBondContact OH-O 2.9Å
195	D	97.9	Very high	98.5	Very high	16 Å²	16	12.9 Å²	12.9	9%	0.086	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.9	176	54.8	-44.7	0	0	0	113.5	H138 I155 A160 H193 H349 L355	H138-D195 PolarHBondContact CD2-O 2.83Å; H138-D195 IonicContact CD2-OD2 3.32Å; H138-D195 IonicContact CE1-OD2 2.67Å; H138-D195 IonicContact NE2-OD2 3.32Å; H138-D195 PolarHBondContact NE2-OD2 2.95Å; I155-D195 HydrophobicContact CD1-CB 4.49Å; I155-D195 VanDerWaalsContact CG2-O 3.27Å; I155-D195 WeakPolarHBondContact CG2-O 3.09Å; A160-D195 HydrophobicContact CB-CB 3.54Å; H193-D195 VanDerWaalsContact C-N 3.27Å; H193-D195 WeakPolarHBondContact CB-OD1 3.31Å; H193-D195 PolarHBondContact O-N 2.69Å; D195-H349 IonicContact OD2-NE2 3.89Å; D195-L355 HydrophobicContact CB-CD1 4.46Å; D195-L355 WeakPolarHBondContact OD2-CD1 3.45Å
196	H	98.6	Very high	98.5	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-31.4	177.7	-67.7	-105.2	0	0	0	113.3	H138 A139 D153 H191 H193 Y194 D290 H349	H138-H196 AromaticContact NE2-NE2 3.46Å; H138-H196 PolarHBondContact NE2-NE2 2.95Å; A139-H196 WeakPolarHBondContact CB-CE1 3.24Å; D153-H196 CarbonylContact C-O 3.35Å; D153-H196 WeakPolarHBondContact CA-O 3.19Å; D153-H196 HydrophobicContact CB-CB 3.99Å; D153-H196 IonicContact OD2-CE1 3.86Å; D153-H196 IonicContact OD2-CG 3.57Å; D153-H196 IonicContact OD2-ND1 3.96Å; D153-H196 PolarHBondContact OD2-ND1 3.31Å; H191-H196 AromaticContact CE1-CD2 3.3Å; H191-H196 PolarHBondContact CE1-CD2 3.49Å; H191-H196 AromaticContact CE1-CE1 3.7Å; H191-H196 AromaticContact CE1-CG 3.24Å; H191-H196 AromaticContact CE1-ND1 3.5Å; H191-H196 PolarHBondContact CE1-ND1 2.85Å; H191-H196 AromaticContact CE1-NE2 3.65Å; H191-H196 AromaticContact ND1-CG 3.82Å; H191-H196 AromaticContact ND1-ND1 3.94Å; H191-H196 AromaticContact NE2-CD2 3.79Å; H193-H196 PolarHBondContact O-N 2.73Å; H193-H196 VanDerWaalsContact O-N 3.11Å; Y194-H196 VanDerWaalsContact C-N 3.32Å; H196-D290 IonicContact CD2-OD2 3.93Å; H196-D290 IonicContact CE1-OD1 3.25Å; H196-D290 PolarHBondContact CE1-OD1 2.87Å; H196-D290 IonicContact CE1-OD2 3.1Å; H196-D290 IonicContact NE2-OD1 3.82Å; H196-D290 PolarHBondContact NE2-OD1 3.33Å; H196-D290 IonicContact NE2-OD2 3.13Å; H196-D290 PolarHBondContact NE2-OD2 2.92Å; H196-H349 AromaticContact CE1-CD2 3.7Å; H196-H349 AromaticContact NE2-CD2 3.42Å; H196-H349 PolarHBondContact NE2-CD2 3.15Å; H196-H349 AromaticContact NE2-NE2 3.46Å; H196-H349 PolarHBondContact NE2-NE2 3.38Å
197	L	98.6	Very high	98.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-121.9	81.3	176	-176.9	61.2	0	0	0	110	I189 H193 V202 L221 W224 L225 R263	I189-L197 HydrophobicContact CD1-CD1 4Å; I189-L197 HydrophobicContact CG1-CD1 4.2Å; I189-L197 HydrophobicContact CG2-CB 4.37Å; I189-L197 HydrophobicContact CG2-CD1 4.21Å; H193-L197 PolarHBondContact O-N 2.81Å; L197-V202 HydrophobicContact CD1-CG2 3.89Å; L197-L221 HydrophobicContact CD2-CD1 4.27Å; L197-L221 HydrophobicContact CD2-CD2 4.05Å; L197-W224 HydrophobicContact CD1-CE3 4.37Å; L197-W224 HydrophobicContact CD1-CH2 4.33Å; L197-W224 HydrophobicContact CD1-CZ3 3.76Å; L197-W224 HydrophobicContact CD2-CD2 4.34Å; L197-W224 HydrophobicContact CD2-CE3 3.96Å; L197-W224 HydrophobicContact CD2-CH2 4.46Å; L197-W224 HydrophobicContact CD2-CZ3 4.01Å; L197-W224 HydrophobicContact CG-CE3 4.36Å; L197-W224 HydrophobicContact CG-CH2 4.12Å; L197-W224 HydrophobicContact CG-CZ3 3.89Å; L197-L225 HydrophobicContact CD1-CD2 4.15Å; L197-R263 PolarHBondContact O-NH1 3.1Å; L197-R263 PolarHBondContact O-NH2 3.15Å
198	D	98.3	Very high	98.5	Very high	5 Å²	5	23 Å²	23	3%	0.027	15%	0.147	C	C	.	.			trans	-86.9	121.3	179.2	172.9	40.1	0	0	0	111.8	I155 S157 G200 S201 V202	I155-D198 HydrophobicContact CB-CB 4.04Å; I155-D198 HydrophobicContact CD1-CB 4.26Å; I155-D198 HydrophobicContact CG1-CB 3.91Å; S157-D198 VanDerWaalsContact CB-OD2 3.23Å; S157-D198 WeakPolarHBondContact CB-OD2 3.32Å; S157-D198 PolarHBondContact N-OD2 2.84Å; S157-D198 PolarHBondContact OG-OD1 2.94Å; S157-D198 VanDerWaalsContact OG-OD1 3.11Å; S157-D198 PolarHBondContact OG-OD2 3.03Å; D198-G200 VanDerWaalsContact C-N 3.29Å; D198-G200 PolarHBondContact O-N 2.88Å; D198-G200 PolarHBondContact OD1-N 2.68Å; D198-S201 PolarHBondContact O-N 2.96Å; D198-S201 WeakPolarHBondContact OD2-CB 3.21Å; D198-S201 PolarHBondContact OD2-N 2.85Å; D198-S201 PolarHBondContact OD2-OG 2.97Å; D198-V202 WeakPolarHBondContact O-CG2 3.34Å; D198-V202 PolarHBondContact O-N 2.78Å
199	A	98.1	Very high	98.4	Very high	37 Å²	37	24.4 Å²	24.4	31%	0.306	15%	0.153	S	C	.	.	H	α-helix	trans	-63.6	-33.7	-178.7	0	0	0	0	0	113	A203 W224 M228	A199-A203 WeakPolarHBondContact O-CB 2.98Å; A199-A203 PolarHBondContact O-N 3.19Å; A199-W224 HydrophobicContact CB-CH2 4.06Å; A199-W224 HydrophobicContact CB-CZ2 4.12Å; A199-M228 HydrophobicContact CB-CE 4.06Å; A199-M228 WeakPolarHBondContact O-CE 3.44Å
200	G	97.7	Very high	98.4	Very high	31 Å²	31	25.7 Å²	25.7	32%	0.32	17%	0.166	S	C	.	.	H	α-helix	trans	-65.2	-46.9	176.7	0	0	0	0	0	111.6	D198 A203 S204	D198-G200 VanDerWaalsContact C-N 3.29Å; D198-G200 PolarHBondContact O-N 2.88Å; D198-G200 PolarHBondContact OD1-N 2.68Å; G200-A203 PolarHBondContact O-N 3.01Å; G200-S204 PolarHBondContact O-N 3.14Å; G200-S204 PolarHBondContact O-OG 3.4Å
201	S	98.5	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-43.5	176.8	-58.6	0	0	0	0	112.3	P154 I155 F156 D198 A203 S204 L205	P154-S201 WeakPolarHBondContact O-CB 3.5Å; P154-S201 PolarHBondContact O-OG 3.23Å; I155-S201 WeakPolarHBondContact CA-OG 3.4Å; F156-S201 PolarHBondContact N-OG 3.06Å; D198-S201 PolarHBondContact O-N 2.96Å; D198-S201 WeakPolarHBondContact OD2-CB 3.21Å; D198-S201 PolarHBondContact OD2-N 2.85Å; D198-S201 PolarHBondContact OD2-OG 2.97Å; S201-A203 PolarHBondContact O-N 3Å; S201-S204 PolarHBondContact O-N 2.85Å; S201-L205 VanDerWaalsContact O-CB 3.29Å; S201-L205 WeakPolarHBondContact O-CB 3.39Å; S201-L205 WeakPolarHBondContact O-CD1 3.17Å; S201-L205 VanDerWaalsContact O-CG 3.25Å; S201-L205 WeakPolarHBondContact O-CG 3.48Å; S201-L205 PolarHBondContact O-N 2.99Å
202	V	98.8	Very high	98.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-48.4	175.1	171.5	0	0	0	0	111	L197 D198 L205 N206 W215 W224 L225 M228	L197-V202 HydrophobicContact CD1-CG2 3.89Å; D198-V202 WeakPolarHBondContact O-CG2 3.34Å; D198-V202 PolarHBondContact O-N 2.78Å; V202-L205 PolarHBondContact O-N 3.01Å; V202-N206 WeakPolarHBondContact O-CB 3.38Å; V202-N206 PolarHBondContact O-N 2.96Å; V202-W215 HydrophobicContact CB-CH2 4.22Å; V202-W215 HydrophobicContact CG1-CH2 4.2Å; V202-W215 HydrophobicContact CG1-CZ2 4.44Å; V202-W215 HydrophobicContact CG2-CH2 4Å; V202-W215 HydrophobicContact CG2-CZ3 3.89Å; V202-W224 HydrophobicContact CG1-CZ3 4.33Å; V202-W224 HydrophobicContact CG2-CH2 4.44Å; V202-W224 HydrophobicContact CG2-CZ3 4.14Å; V202-L225 HydrophobicContact CG1-CD1 3.89Å; V202-L225 HydrophobicContact CG2-CD1 4.47Å; V202-M228 HydrophobicContact CG1-CB 3.93Å; V202-M228 HydrophobicContact CG1-CE 4.43Å; V202-M228 HydrophobicContact CG1-CG 4.31Å
203	A	98.6	Very high	98.2	Very high	46 Å²	46	33.5 Å²	33.5	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-46.8	179	0	0	0	0	0	112.2	A199 G200 S201 A207 M228	A199-A203 WeakPolarHBondContact O-CB 2.98Å; A199-A203 PolarHBondContact O-N 3.19Å; G200-A203 PolarHBondContact O-N 3.01Å; S201-A203 PolarHBondContact O-N 3Å; A203-A207 VanDerWaalsContact O-CB 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.4Å; A203-A207 PolarHBondContact O-N 2.66Å; A203-M228 HydrophobicContact CB-CE 4.21Å
204	S	98.6	Very high	98.2	Very high	49 Å²	49	34.1 Å²	34.1	34%	0.343	21%	0.214	S	C	.	.	H	α-helix	trans	-65.4	-42.6	179.4	-68.8	0	0	0	0	112.8	G200 S201 R208	G200-S204 PolarHBondContact O-N 3.14Å; G200-S204 PolarHBondContact O-OG 3.4Å; S201-S204 PolarHBondContact O-N 2.85Å; S204-R208 WeakPolarHBondContact O-CB 3.44Å; S204-R208 PolarHBondContact O-N 3.06Å
205	L	98.8	Very high	98.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-44.9	177.8	-74.5	166.2	0	0	0	111.2	L151 P154 V178 L181 V187 S201 V202 R208 F209 L213 W215	L151-L205 HydrophobicContact CD2-CD1 4.03Å; L151-L205 HydrophobicContact CD2-CD2 4.11Å; P154-L205 HydrophobicContact CB-CD1 3.79Å; P154-L205 HydrophobicContact CG-CD1 3.63Å; V178-L205 HydrophobicContact CG1-CD2 3.83Å; V178-L205 HydrophobicContact CG1-CG 4.13Å; V178-L205 HydrophobicContact CG2-CG 4.5Å; L181-L205 HydrophobicContact CD1-CD2 3.98Å; V187-L205 HydrophobicContact CG2-CD1 4.29Å; S201-L205 VanDerWaalsContact O-CB 3.29Å; S201-L205 WeakPolarHBondContact O-CB 3.39Å; S201-L205 WeakPolarHBondContact O-CD1 3.17Å; S201-L205 VanDerWaalsContact O-CG 3.25Å; S201-L205 WeakPolarHBondContact O-CG 3.48Å; S201-L205 PolarHBondContact O-N 2.99Å; V202-L205 PolarHBondContact O-N 3.01Å; L205-R208 PolarHBondContact O-N 3.43Å; L205-F209 HydrophobicContact CD2-CD2 4.01Å; L205-F209 HydrophobicContact CD2-CE2 3.7Å; L205-F209 WeakPolarHBondContact O-CD2 3.35Å; L205-F209 PolarHBondContact O-N 3.2Å; L205-L213 HydrophobicContact CB-CD2 4.05Å; L205-W215 HydrophobicContact CB-CH2 3.87Å; L205-W215 HydrophobicContact CB-CZ2 3.93Å; L205-W215 HydrophobicContact CD1-CH2 3.81Å
206	N	98.4	Very high	98.3	Very high	28 Å²	28	30.9 Å²	30.9	15%	0.15	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-40.4	178.2	-167.1	56.6	0	0	0	111.8	V202 R208 G210 G229	V202-N206 WeakPolarHBondContact O-CB 3.38Å; V202-N206 PolarHBondContact O-N 2.96Å; N206-R208 VanDerWaalsContact C-N 3.27Å; N206-R208 PolarHBondContact O-N 2.79Å; N206-G210 VanDerWaalsContact O-CA 3.25Å; N206-G210 WeakPolarHBondContact O-CA 3.5Å; N206-G210 PolarHBondContact O-N 3.46Å; N206-G229 PolarHBondContact ND2-O 2.87Å
207	A	98.6	Very high	98.3	Very high	89 Å²	89	30.9 Å²	30.9	74%	0.736	20%	0.2	S	C	*	.	H	α-helix	trans	-63	-33.8	175.1	0	0	0	0	0	112.6	A203	A203-A207 VanDerWaalsContact O-CB 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.4Å; A203-A207 PolarHBondContact O-N 2.66Å
208	R	98.3	Very high	98.3	Very high	102 Å²	102	30.8 Å²	30.8	39%	0.385	20%	0.2	S	C	.	.	H	α-helix	trans	-81.6	-45.4	-178.6	-173.8	174.7	-177.7	-146.7	-6.5	113.5	V178 E179 L181 S204 L205 N206	V178-R208 PolarHBondContact O-NH1 2.9Å; E179-R208 PolarHBondContact O-NH1 3.46Å; E179-R208 PolarHBondContact O-NH2 3.36Å; L181-R208 VanDerWaalsContact O-CZ 3.25Å; L181-R208 PolarHBondContact O-NH1 3.03Å; L181-R208 PolarHBondContact O-NH2 3Å; S204-R208 WeakPolarHBondContact O-CB 3.44Å; S204-R208 PolarHBondContact O-N 3.06Å; L205-R208 PolarHBondContact O-N 3.43Å; N206-R208 VanDerWaalsContact C-N 3.27Å; N206-R208 PolarHBondContact O-N 2.79Å
209	F	98.2	Very high	98.3	Very high	29 Å²	29	32.5 Å²	32.5	13%	0.127	21%	0.209	C	C	.	.	H	α-helix	trans	-108.5	-17.6	-169.6	-58.4	-62.5	0	0	0	114	P182 I184 L205 E212 L213	P182-F209 WeakPolarHBondContact O-CZ 3.39Å; I184-F209 HydrophobicContact CB-CD2 4.33Å; I184-F209 HydrophobicContact CB-CE2 3.97Å; I184-F209 HydrophobicContact CB-CZ 4.26Å; I184-F209 HydrophobicContact CG1-CE2 3.68Å; I184-F209 HydrophobicContact CG1-CZ 3.83Å; L205-F209 HydrophobicContact CD2-CD2 4.01Å; L205-F209 HydrophobicContact CD2-CE2 3.7Å; L205-F209 WeakPolarHBondContact O-CD2 3.35Å; L205-F209 PolarHBondContact O-N 3.2Å; F209-E212 PolarHBondContact O-N 3.43Å; F209-L213 HydrophobicContact CB-CB 3.64Å; F209-L213 HydrophobicContact CB-CD2 4.32Å; F209-L213 HydrophobicContact CD2-CD2 4.22Å
210	G	97.3	Very high	98.3	Very high	27 Å²	27	32.8 Å²	32.8	28%	0.278	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	52.9	-140.3	176.8	0	0	0	0	0	113.6	N206 E212 L213	N206-G210 VanDerWaalsContact O-CA 3.25Å; N206-G210 WeakPolarHBondContact O-CA 3.5Å; N206-G210 PolarHBondContact O-N 3.46Å; G210-E212 PolarHBondContact O-N 3.28Å; G210-L213 PolarHBondContact O-N 3.24Å
211	G	96.6	Very high	98.3	Very high	38 Å²	38	31.5 Å²	31.5	39%	0.392	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.8	-11.6	-178.1	0	0	0	0	0	115.6	L213 N232	G211-L213 VanDerWaalsContact C-N 3.34Å; G211-N232 PolarHBondContact O-ND2 2.84Å
212	E	96.4	Very high	98.3	Very high	131 Å²	131	34.8 Å²	34.8	61%	0.612	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-71.2	-32	174.2	-63.8	-168.7	-167	0	0	112	R183 F209 G210 R214	R183-E212 IonicContact CZ-OE2 3.6Å; R183-E212 IonicContact NE-OE2 3.55Å; R183-E212 IonicContact NH2-OE2 2.81Å; R183-E212 PolarHBondContact NH2-OE2 3.21Å; F209-E212 PolarHBondContact O-N 3.43Å; G210-E212 PolarHBondContact O-N 3.28Å; E212-R214 PolarHBondContact O-N 2.86Å
213	L	98.6	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-77.7	121.2	176.6	171.5	61.1	0	0	0	110.3	I184 V187 L205 F209 G210 G211 W215	I184-L213 HydrophobicContact CB-CD1 4.24Å; I184-L213 HydrophobicContact CG2-CD1 3.76Å; V187-L213 HydrophobicContact CB-CD1 4.44Å; V187-L213 HydrophobicContact CG2-CD1 3.88Å; V187-L213 HydrophobicContact CG2-CD2 4.16Å; L205-L213 HydrophobicContact CB-CD2 4.05Å; F209-L213 HydrophobicContact CB-CB 3.64Å; F209-L213 HydrophobicContact CB-CD2 4.32Å; F209-L213 HydrophobicContact CD2-CD2 4.22Å; G210-L213 PolarHBondContact O-N 3.24Å; G211-L213 VanDerWaalsContact C-N 3.34Å; L213-W215 HydrophobicContact CD2-CH2 4.23Å; L213-W215 HydrophobicContact CD2-CZ2 3.46Å; L213-W215 VanDerWaalsContact CD2-CZ2 3.46Å; L213-W215 HydrophobicContact CG-CZ2 4.4Å
214	R	98.8	Very high	98.2	Very high	32 Å²	32	41.2 Å²	41.2	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.6	171.5	178.5	160.6	-89.8	-165.8	-13.2	111.5	D185 A186 V187 E212 F216 N232 N242 C243 V244	D185-R214 PolarHBondContact O-N 2.82Å; A186-R214 CarbonylContact C-O 3.59Å; A186-R214 VanDerWaalsContact CA-O 3.28Å; A186-R214 WeakPolarHBondContact CA-O 3.33Å; V187-R214 PolarHBondContact N-O 3.29Å; E212-R214 PolarHBondContact O-N 2.86Å; R214-F216 HydrophobicContact CB-CE2 4.18Å; R214-F216 VanDerWaalsContact CD-CZ 3.5Å; R214-F216 HydrophobicContact CG-CD2 4.03Å; R214-F216 HydrophobicContact CG-CE2 3.59Å; R214-F216 HydrophobicContact CG-CZ 3.87Å; R214-N232 WeakPolarHBondContact CA-O 3.4Å; R214-N232 PolarHBondContact NE-OD1 3.28Å; R214-N232 PolarHBondContact NH2-OD1 3.3Å; R214-N242 PolarHBondContact NH1-OD1 2.88Å; R214-C243 PolarHBondContact NH1-O 2.78Å; R214-V244 HydrophobicContact CB-CG2 4.44Å
215	W	98.9	Very high	98.2	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121	173.6	-60	81.1	0	0	0	109.8	V187 V202 L205 L213 V217 L225 N232 V233 M234	V187-W215 HydrophobicContact CB-CD2 4.25Å; V187-W215 HydrophobicContact CB-CE3 3.7Å; V187-W215 HydrophobicContact CB-CZ3 3.88Å; V187-W215 HydrophobicContact CG1-CE3 3.54Å; V187-W215 HydrophobicContact CG1-CH2 4.47Å; V187-W215 HydrophobicContact CG1-CZ3 3.51Å; V187-W215 HydrophobicContact CG2-CE3 4.29Å; V187-W215 HydrophobicContact CG2-CH2 4.28Å; V187-W215 HydrophobicContact CG2-CZ3 4.05Å; V202-W215 HydrophobicContact CB-CH2 4.22Å; V202-W215 HydrophobicContact CG1-CH2 4.2Å; V202-W215 HydrophobicContact CG1-CZ2 4.44Å; V202-W215 HydrophobicContact CG2-CH2 4Å; V202-W215 HydrophobicContact CG2-CZ3 3.89Å; L205-W215 HydrophobicContact CB-CH2 3.87Å; L205-W215 HydrophobicContact CB-CZ2 3.93Å; L205-W215 HydrophobicContact CD1-CH2 3.81Å; L213-W215 HydrophobicContact CD2-CH2 4.23Å; L213-W215 HydrophobicContact CD2-CZ2 3.46Å; L213-W215 VanDerWaalsContact CD2-CZ2 3.46Å; L213-W215 HydrophobicContact CG-CZ2 4.4Å; W215-V217 HydrophobicContact CB-CG1 4.45Å; W215-L225 HydrophobicContact CD2-CD1 3.78Å; W215-L225 HydrophobicContact CE3-CD1 3.73Å; W215-L225 HydrophobicContact CG-CD1 4.14Å; W215-L225 HydrophobicContact CZ3-CD1 4.27Å; W215-N232 PolarHBondContact N-O 2.91Å; W215-V233 HydrophobicContact CB-CG1 4.32Å; W215-V233 HydrophobicContact CB-CG2 4.28Å; W215-V233 CarbonylContact O-C 3.54Å; W215-M234 PolarHBondContact O-N 2.9Å
216	F	98.9	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.7	170.8	-65.8	-93.9	0	0	0	109.1	A186 V187 L188 I189 R214 M234 L236 N242 V244 F252 W276	A186-F216 HydrophobicContact CB-CD2 4.06Å; A186-F216 HydrophobicContact CB-CE2 3.77Å; V187-F216 PolarHBondContact O-N 2.93Å; L188-F216 HydrophobicContact CD2-CB 3.77Å; L188-F216 HydrophobicContact CD2-CD2 3.78Å; L188-F216 HydrophobicContact CD2-CG 4Å; I189-F216 PolarHBondContact N-O 3.48Å; R214-F216 HydrophobicContact CB-CE2 4.18Å; R214-F216 VanDerWaalsContact CD-CZ 3.5Å; R214-F216 HydrophobicContact CG-CD2 4.03Å; R214-F216 HydrophobicContact CG-CE2 3.59Å; R214-F216 HydrophobicContact CG-CZ 3.87Å; F216-M234 WeakPolarHBondContact CA-O 3.18Å; F216-M234 HydrophobicContact CD1-CB 4.05Å; F216-M234 HydrophobicContact CD1-CG 4.11Å; F216-M234 HydrophobicContact CE1-CB 4.33Å; F216-M234 HydrophobicContact CE1-CG 4.26Å; F216-L236 HydrophobicContact CD1-CD1 4.18Å; F216-N242 HydrophobicContact CE1-CB 4.06Å; F216-V244 HydrophobicContact CE2-CG2 3.82Å; F216-V244 HydrophobicContact CZ-CG2 3.99Å; F216-F252 HydrophobicContact CD1-CB 3.92Å; F216-F252 HydrophobicContact CD1-CG 4.38Å; F216-F252 HydrophobicContact CD2-CD1 4.25Å; F216-F252 HydrophobicContact CD2-CG 4.43Å; F216-F252 HydrophobicContact CE1-CB 3.62Å; F216-F252 HydrophobicContact CE1-CD2 4.14Å; F216-F252 AromaticContact CE1-CG 3.89Å; F216-F252 HydrophobicContact CE1-CG 3.89Å; F216-F252 HydrophobicContact CE2-CD1 4.05Å; F216-F252 HydrophobicContact CE2-CD2 4.1Å; F216-F252 HydrophobicContact CE2-CE1 4.24Å; F216-F252 HydrophobicContact CE2-CE2 4.31Å; F216-F252 AromaticContact CE2-CG 3.96Å; F216-F252 HydrophobicContact CE2-CG 3.96Å; F216-F252 HydrophobicContact CE2-CZ 4.37Å; F216-F252 HydrophobicContact CG-CB 4.47Å; F216-F252 HydrophobicContact CZ-CB 3.95Å; F216-F252 HydrophobicContact CZ-CD1 4.24Å; F216-F252 AromaticContact CZ-CD2 3.62Å; F216-F252 HydrophobicContact CZ-CD2 3.62Å; F216-F252 HydrophobicContact CZ-CE2 4.15Å; F216-F252 AromaticContact CZ-CG 3.67Å; F216-F252 HydrophobicContact CZ-CG 3.67Å; F216-W276 HydrophobicContact CB-CE3 4.43Å; F216-W276 HydrophobicContact CB-CH2 3.57Å; F216-W276 HydrophobicContact CB-CZ2 3.96Å; F216-W276 HydrophobicContact CB-CZ3 3.82Å; F216-W276 HydrophobicContact CD1-CZ3 4.27Å; F216-W276 HydrophobicContact CG-CZ3 4.42Å
217	V	98.9	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.9	-173.8	-53.7	0	0	0	0	111	I189 W215 L221 L225 V233 M234 E235 L236	I189-V217 HydrophobicContact CB-CG1 4Å; I189-V217 HydrophobicContact CG1-CG1 3.94Å; W215-V217 HydrophobicContact CB-CG1 4.45Å; V217-L221 HydrophobicContact CB-CB 3.91Å; V217-L221 HydrophobicContact CB-CD1 4.37Å; V217-L221 HydrophobicContact CG2-CB 3.89Å; V217-L225 HydrophobicContact CG1-CD2 4.17Å; V217-L225 HydrophobicContact CG1-CG 4.26Å; V217-V233 HydrophobicContact CG1-CG1 4.41Å; V217-V233 HydrophobicContact CG2-CG1 3.83Å; V217-M234 PolarHBondContact N-O 3.04Å; V217-E235 HydrophobicContact CG2-CB 3.98Å; V217-E235 HydrophobicContact CG2-CG 4.12Å; V217-E235 VanDerWaalsContact O-CA 3.31Å; V217-E235 WeakPolarHBondContact O-CA 3.39Å; V217-L236 PolarHBondContact O-N 3.47Å
218	P	98.7	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	157.6	170.2	30.6	-39.8	0	0	0	111.6	I189 G220 L221 L236 L272	I189-P218 WeakPolarHBondContact O-CD 3.46Å; P218-G220 PolarHBondContact O-N 3Å; P218-L221 HydrophobicContact CG-CD1 3.79Å; P218-L221 PolarHBondContact O-N 3.19Å; P218-L236 WeakPolarHBondContact CA-O 3.48Å; P218-L272 HydrophobicContact CB-CB 3.97Å; P218-L272 HydrophobicContact CB-CG 4.29Å; P218-L272 VanDerWaalsContact CG-O 3.27Å; P218-L272 WeakPolarHBondContact CG-O 3.43Å
219	L	98.7	Very high	98.2	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.215	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.1	135.2	177.4	-76.6	174.4	0	0	0	114.2	W72 E235 L236 D237 S271 L272	W72-L219 HydrophobicContact CH2-CB 4.49Å; W72-L219 HydrophobicContact CH2-CD1 3.53Å; W72-L219 HydrophobicContact CZ2-CB 3.74Å; W72-L219 HydrophobicContact CZ2-CD1 3.57Å; W72-L219 HydrophobicContact CZ2-CG 4.33Å; L219-E235 VanDerWaalsContact CA-CG 3.49Å; L219-E235 HydrophobicContact CD2-CG 4Å; L219-L236 PolarHBondContact N-O 3.25Å; L219-D237 HydrophobicContact CD1-CB 3.52Å; L219-D237 HydrophobicContact CG-CB 4.16Å; L219-S271 CarbonylContact O-C 3.47Å; L219-S271 VanDerWaalsContact O-CA 3.27Å; L219-S271 WeakPolarHBondContact O-CA 3.44Å; L219-S271 WeakPolarHBondContact O-CB 3.34Å; L219-L272 HydrophobicContact CB-CB 4.14Å; L219-L272 HydrophobicContact CB-CD2 4.31Å; L219-L272 PolarHBondContact O-N 3.09Å
220	G	98	Very high	98.2	Very high	43 Å²	43	43.1 Å²	43.1	44%	0.443	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	5.4	179.2	0	0	0	0	0	115.4	P218 E235	P218-G220 PolarHBondContact O-N 3Å; G220-E235 WeakPolarHBondContact CA-OE1 3.34Å; G220-E235 VanDerWaalsContact N-CD 3.27Å; G220-E235 PolarHBondContact N-OE1 2.97Å
221	L	98.4	Very high	98.2	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.275	C	S	.	.			trans	-108.9	-15.2	178.4	-73.1	-174.9	0	0	0	114.7	I189 L197 V217 P218 D223 W224 L225 E235	I189-L221 HydrophobicContact CG2-CD1 3.95Å; L197-L221 HydrophobicContact CD2-CD1 4.27Å; L197-L221 HydrophobicContact CD2-CD2 4.05Å; V217-L221 HydrophobicContact CB-CB 3.91Å; V217-L221 HydrophobicContact CB-CD1 4.37Å; V217-L221 HydrophobicContact CG2-CB 3.89Å; P218-L221 HydrophobicContact CG-CD1 3.79Å; P218-L221 PolarHBondContact O-N 3.19Å; L221-D223 VanDerWaalsContact C-N 3.34Å; L221-D223 PolarHBondContact O-N 3.36Å; L221-W224 PolarHBondContact O-N 2.68Å; L221-W224 VanDerWaalsContact O-N 3.1Å; L221-L225 PolarHBondContact O-N 2.86Å; L221-L225 VanDerWaalsContact O-N 3.1Å; L221-E235 PolarHBondContact N-OE1 2.79Å
222	M	98	Very high	98.2	Very high	70 Å²	70	49.5 Å²	49.5	35%	0.345	26%	0.264	S	S	.	.	H	α-helix	trans	-54.8	-49.7	-179.6	-178	174.5	-86.6	0	0	111.8	W224 L225 A226 V233 E235	M222-W224 PolarHBondContact O-N 2.8Å; M222-L225 PolarHBondContact O-N 3.39Å; M222-A226 WeakPolarHBondContact O-CB 3.03Å; M222-A226 PolarHBondContact O-N 2.77Å; M222-V233 HydrophobicContact CB-CG1 4.39Å; M222-V233 HydrophobicContact CE-CB 4.5Å; M222-V233 HydrophobicContact CE-CG1 4.47Å; M222-V233 WeakPolarHBondContact CE-O 3.42Å; M222-V233 HydrophobicContact CG-CB 4.43Å; M222-V233 HydrophobicContact CG-CG1 4.2Å; M222-E235 HydrophobicContact CB-CB 3.95Å; M222-E235 HydrophobicContact CB-CG 4.29Å; M222-E235 WeakPolarHBondContact CB-OE1 3.37Å; M222-E235 HydrophobicContact CE-CB 3.73Å; M222-E235 PolarHBondContact N-OE1 3.06Å
223	D	97.8	Very high	98.3	Very high	116 Å²	116	44.1 Å²	44.1	62%	0.62	24%	0.24	S	C	*	.	H	α-helix	trans	-59.5	-34	-179.7	-80.1	-7.7	0	0	0	112.7	L221 K227	L221-D223 VanDerWaalsContact C-N 3.34Å; L221-D223 PolarHBondContact O-N 3.36Å; D223-K227 WeakPolarHBondContact O-CB 3.11Å; D223-K227 WeakPolarHBondContact O-CD 3.42Å; D223-K227 WeakPolarHBondContact O-CG 3.33Å; D223-K227 PolarHBondContact O-N 2.82Å; D223-K227 VanDerWaalsContact O-N 3.15Å
224	W	98.2	Very high	98.3	Very high	65 Å²	65	45.9 Å²	45.9	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-72	-45.6	178.8	-172.3	95.7	0	0	0	110.7	L197 A199 V202 L221 M222 K227 M228	L197-W224 HydrophobicContact CD1-CE3 4.37Å; L197-W224 HydrophobicContact CD1-CH2 4.33Å; L197-W224 HydrophobicContact CD1-CZ3 3.76Å; L197-W224 HydrophobicContact CD2-CD2 4.34Å; L197-W224 HydrophobicContact CD2-CE3 3.96Å; L197-W224 HydrophobicContact CD2-CH2 4.46Å; L197-W224 HydrophobicContact CD2-CZ3 4.01Å; L197-W224 HydrophobicContact CG-CE3 4.36Å; L197-W224 HydrophobicContact CG-CH2 4.12Å; L197-W224 HydrophobicContact CG-CZ3 3.89Å; A199-W224 HydrophobicContact CB-CH2 4.06Å; A199-W224 HydrophobicContact CB-CZ2 4.12Å; V202-W224 HydrophobicContact CG1-CZ3 4.33Å; V202-W224 HydrophobicContact CG2-CH2 4.44Å; V202-W224 HydrophobicContact CG2-CZ3 4.14Å; L221-W224 PolarHBondContact O-N 2.68Å; L221-W224 VanDerWaalsContact O-N 3.1Å; M222-W224 PolarHBondContact O-N 2.8Å; W224-K227 PolarHBondContact O-N 3.12Å; W224-M228 HydrophobicContact CD2-CG 4.37Å; W224-M228 HydrophobicContact CE3-CG 3.99Å; W224-M228 HydrophobicContact CH2-CG 3.8Å; W224-M228 HydrophobicContact CH2-SD 4.27Å; W224-M228 HydrophobicContact CZ2-CG 4.14Å; W224-M228 HydrophobicContact CZ2-SD 4.29Å; W224-M228 HydrophobicContact CZ3-CG 3.71Å; W224-M228 WeakPolarHBondContact O-CG 3.45Å; W224-M228 PolarHBondContact O-N 2.53Å
225	L	98.6	Very high	98.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-41.6	176.3	-90.6	-70.3	0	0	0	111.3	L197 V202 W215 V217 L221 M222 K227 M228 G229 C230 V233	L197-L225 HydrophobicContact CD1-CD2 4.15Å; V202-L225 HydrophobicContact CG1-CD1 3.89Å; V202-L225 HydrophobicContact CG2-CD1 4.47Å; W215-L225 HydrophobicContact CD2-CD1 3.78Å; W215-L225 HydrophobicContact CE3-CD1 3.73Å; W215-L225 HydrophobicContact CG-CD1 4.14Å; W215-L225 HydrophobicContact CZ3-CD1 4.27Å; V217-L225 HydrophobicContact CG1-CD2 4.17Å; V217-L225 HydrophobicContact CG1-CG 4.26Å; L221-L225 PolarHBondContact O-N 2.86Å; L221-L225 VanDerWaalsContact O-N 3.1Å; M222-L225 PolarHBondContact O-N 3.39Å; L225-K227 VanDerWaalsContact C-N 3.32Å; L225-K227 PolarHBondContact O-N 2.82Å; L225-M228 CarbonylContact O-C 3.44Å; L225-M228 WeakPolarHBondContact O-CA 3.04Å; L225-M228 WeakPolarHBondContact O-CB 3.09Å; L225-M228 PolarHBondContact O-N 3.38Å; L225-G229 PolarHBondContact O-N 3.29Å; L225-C230 HydrophobicContact CB-CB 4.16Å; L225-C230 HydrophobicContact CD1-CB 4.11Å; L225-C230 WeakPolarHBondContact O-CB 3.21Å; L225-C230 PolarHBondContact O-N 2.84Å; L225-C230 VanDerWaalsContact O-N 3.08Å; L225-V233 HydrophobicContact CB-CG1 4.21Å; L225-V233 HydrophobicContact CB-CG2 3.79Å; L225-V233 HydrophobicContact CG-CG1 4.48Å; L225-V233 HydrophobicContact CG-CG2 4.45Å
226	A	98.1	Very high	98.3	Very high	54 Å²	54	46.9 Å²	46.9	45%	0.446	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-40.3	176.9	0	0	0	0	0	111.8	M222 M228 G229	M222-A226 WeakPolarHBondContact O-CB 3.03Å; M222-A226 PolarHBondContact O-N 2.77Å; A226-M228 PolarHBondContact O-N 2.86Å; A226-G229 WeakPolarHBondContact O-CA 3.46Å; A226-G229 PolarHBondContact O-N 3.26Å
227	K	97.9	Very high	98.3	Very high	174 Å²	174	48.7 Å²	48.7	76%	0.757	27%	0.265	S	S	*	.	H	α-helix	trans	-65.7	-23.9	173.3	-74.4	167.6	-172.7	166.3	0	113.4	D223 W224 L225	D223-K227 WeakPolarHBondContact O-CB 3.11Å; D223-K227 WeakPolarHBondContact O-CD 3.42Å; D223-K227 WeakPolarHBondContact O-CG 3.33Å; D223-K227 PolarHBondContact O-N 2.82Å; D223-K227 VanDerWaalsContact O-N 3.15Å; W224-K227 PolarHBondContact O-N 3.12Å; L225-K227 VanDerWaalsContact C-N 3.32Å; L225-K227 PolarHBondContact O-N 2.82Å
228	M	97.9	Very high	98.3	Very high	63 Å²	63	49.2 Å²	49.2	31%	0.31	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1	171.4	-66.4	-64.9	-62.4	0	0	112.9	A199 V202 A203 W224 L225 A226	A199-M228 HydrophobicContact CB-CE 4.06Å; A199-M228 WeakPolarHBondContact O-CE 3.44Å; V202-M228 HydrophobicContact CG1-CB 3.93Å; V202-M228 HydrophobicContact CG1-CE 4.43Å; V202-M228 HydrophobicContact CG1-CG 4.31Å; A203-M228 HydrophobicContact CB-CE 4.21Å; W224-M228 HydrophobicContact CD2-CG 4.37Å; W224-M228 HydrophobicContact CE3-CG 3.99Å; W224-M228 HydrophobicContact CH2-CG 3.8Å; W224-M228 HydrophobicContact CH2-SD 4.27Å; W224-M228 HydrophobicContact CZ2-CG 4.14Å; W224-M228 HydrophobicContact CZ2-SD 4.29Å; W224-M228 HydrophobicContact CZ3-CG 3.71Å; W224-M228 WeakPolarHBondContact O-CG 3.45Å; W224-M228 PolarHBondContact O-N 2.53Å; L225-M228 CarbonylContact O-C 3.44Å; L225-M228 WeakPolarHBondContact O-CA 3.04Å; L225-M228 WeakPolarHBondContact O-CB 3.09Å; L225-M228 PolarHBondContact O-N 3.38Å; A226-M228 PolarHBondContact O-N 2.86Å
229	G	98.2	Very high	98.2	Very high	40 Å²	40	50.4 Å²	50.4	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	12	178.6	0	0	0	0	0	114.5	N206 L225 A226 E231	N206-G229 PolarHBondContact ND2-O 2.87Å; L225-G229 PolarHBondContact O-N 3.29Å; A226-G229 WeakPolarHBondContact O-CA 3.46Å; A226-G229 PolarHBondContact O-N 3.26Å; G229-E231 PolarHBondContact O-N 2.79Å
230	C	98.5	Very high	98.2	Very high	6 Å²	6	53 Å²	53	4%	0.041	28%	0.282	C	S	.	.			trans	-78.2	120	176.2	-59.7	0	0	0	0	110.3	L225 V233	L225-C230 HydrophobicContact CB-CB 4.16Å; L225-C230 HydrophobicContact CD1-CB 4.11Å; L225-C230 WeakPolarHBondContact O-CB 3.21Å; L225-C230 PolarHBondContact O-N 2.84Å; L225-C230 VanDerWaalsContact O-N 3.08Å; C230-V233 HydrophobicContact CB-CG2 3.75Å
231	E	97.1	Very high	98.2	Very high	170 Å²	170	54.8 Å²	54.8	79%	0.794	28%	0.279	S	S	*	.			trans	-92.8	-30.4	-174.6	-61.2	-179.4	169.3	0	0	113.3	G229	G229-E231 PolarHBondContact O-N 2.79Å
232	N	98.1	Very high	98.2	Very high	30 Å²	30	57 Å²	57	16%	0.16	29%	0.291	C	S	.	.	S	Bend	trans	-106.2	73.3	-176.1	-173	5.8	0	0	0	110.7	G211 R214 W215	G211-N232 PolarHBondContact O-ND2 2.84Å; R214-N232 WeakPolarHBondContact CA-O 3.4Å; R214-N232 PolarHBondContact NE-OD1 3.28Å; R214-N232 PolarHBondContact NH2-OD1 3.3Å; W215-N232 PolarHBondContact N-O 2.91Å
233	V	98.7	Very high	98.2	Very high	17 Å²	17	55.1 Å²	55.1	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.5	-179.3	-171.8	0	0	0	0	109.9	W215 V217 M222 L225 C230	W215-V233 HydrophobicContact CB-CG1 4.32Å; W215-V233 HydrophobicContact CB-CG2 4.28Å; W215-V233 CarbonylContact O-C 3.54Å; V217-V233 HydrophobicContact CG1-CG1 4.41Å; V217-V233 HydrophobicContact CG2-CG1 3.83Å; M222-V233 HydrophobicContact CB-CG1 4.39Å; M222-V233 HydrophobicContact CE-CB 4.5Å; M222-V233 HydrophobicContact CE-CG1 4.47Å; M222-V233 WeakPolarHBondContact CE-O 3.42Å; M222-V233 HydrophobicContact CG-CB 4.43Å; M222-V233 HydrophobicContact CG-CG1 4.2Å; L225-V233 HydrophobicContact CB-CG1 4.21Å; L225-V233 HydrophobicContact CB-CG2 3.79Å; L225-V233 HydrophobicContact CG-CG1 4.48Å; L225-V233 HydrophobicContact CG-CG2 4.45Å; C230-V233 HydrophobicContact CB-CG2 3.75Å
234	M	98.7	Very high	98.2	Very high	37 Å²	37	50 Å²	50	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113	174.2	-176.3	53.6	56.7	0	0	108.9	W215 F216 V217 L236 N242	W215-M234 PolarHBondContact O-N 2.9Å; F216-M234 WeakPolarHBondContact CA-O 3.18Å; F216-M234 HydrophobicContact CD1-CB 4.05Å; F216-M234 HydrophobicContact CD1-CG 4.11Å; F216-M234 HydrophobicContact CE1-CB 4.33Å; F216-M234 HydrophobicContact CE1-CG 4.26Å; V217-M234 PolarHBondContact N-O 3.04Å; M234-L236 HydrophobicContact CG-CD1 4.12Å; M234-L236 HydrophobicContact CG-CD2 4.05Å; M234-L236 HydrophobicContact CG-CG 3.95Å; M234-L236 HydrophobicContact SD-CD2 4.05Å; M234-N242 VanDerWaalsContact CE-ND2 3.34Å; M234-N242 WeakPolarHBondContact CE-ND2 3.33Å; M234-N242 HydrophobicContact CG-CB 3.75Å; M234-N242 HydrophobicContact SD-CB 4.18Å; M234-N242 PolarHBondContact SD-ND2 2.79Å
235	E	98.6	Very high	98	Very high	49 Å²	49	50.4 Å²	50.4	23%	0.229	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.6	179.6	-173.6	179.5	-107.8	0	0	109.9	V217 L219 G220 L221 M222	V217-E235 HydrophobicContact CG2-CB 3.98Å; V217-E235 HydrophobicContact CG2-CG 4.12Å; V217-E235 VanDerWaalsContact O-CA 3.31Å; V217-E235 WeakPolarHBondContact O-CA 3.39Å; L219-E235 VanDerWaalsContact CA-CG 3.49Å; L219-E235 HydrophobicContact CD2-CG 4Å; G220-E235 WeakPolarHBondContact CA-OE1 3.34Å; G220-E235 VanDerWaalsContact N-CD 3.27Å; G220-E235 PolarHBondContact N-OE1 2.97Å; L221-E235 PolarHBondContact N-OE1 2.79Å; M222-E235 HydrophobicContact CB-CB 3.95Å; M222-E235 HydrophobicContact CB-CG 4.29Å; M222-E235 WeakPolarHBondContact CB-OE1 3.37Å; M222-E235 HydrophobicContact CE-CB 3.73Å; M222-E235 PolarHBondContact N-OE1 3.06Å
236	L	98.8	Very high	97.7	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.2	-169.6	-64.1	172.6	0	0	0	111.9	F216 V217 P218 L219 M234 E240 N242 C254 W276	F216-L236 HydrophobicContact CD1-CD1 4.18Å; V217-L236 PolarHBondContact O-N 3.47Å; P218-L236 WeakPolarHBondContact CA-O 3.48Å; L219-L236 PolarHBondContact N-O 3.25Å; M234-L236 HydrophobicContact CG-CD1 4.12Å; M234-L236 HydrophobicContact CG-CD2 4.05Å; M234-L236 HydrophobicContact CG-CG 3.95Å; M234-L236 HydrophobicContact SD-CD2 4.05Å; L236-E240 HydrophobicContact CB-CB 4.15Å; L236-E240 HydrophobicContact CD2-CB 3.86Å; L236-N242 HydrophobicContact CD1-CB 4.26Å; L236-N242 HydrophobicContact CD2-CB 4.37Å; L236-C254 HydrophobicContact CB-CB 3.6Å; L236-C254 HydrophobicContact CD1-CB 4.32Å; L236-C254 PolarHBondContact O-SG 3.32Å; L236-W276 HydrophobicContact CB-CH2 4.39Å; L236-W276 HydrophobicContact CD1-CH2 3.94Å; L236-W276 HydrophobicContact CD1-CZ3 3.78Å
237	D	98.6	Very high	97.5	Very high	38 Å²	38	53.3 Å²	53.3	20%	0.203	29%	0.291	C	S	.	.			trans	-76.6	166.4	163.3	-155.9	-5	0	0	0	110.8	S64 L219 W239 E240 C254 L272	S64-D237 WeakPolarHBondContact CB-OD1 3.4Å; S64-D237 PolarHBondContact OG-OD1 2.93Å; S64-D237 PolarHBondContact OG-OD2 3.12Å; L219-D237 HydrophobicContact CD1-CB 3.52Å; L219-D237 HydrophobicContact CG-CB 4.16Å; D237-W239 PolarHBondContact O-N 3.14Å; D237-E240 HydrophobicContact CB-CG 3.96Å; D237-E240 PolarHBondContact N-OE2 3.04Å; D237-E240 WeakPolarHBondContact O-CB 3.42Å; D237-E240 PolarHBondContact O-N 2.76Å; D237-E240 VanDerWaalsContact O-N 3.08Å; D237-C254 VanDerWaalsContact O-CB 3.32Å; D237-C254 WeakPolarHBondContact O-CB 3.34Å; D237-L272 WeakPolarHBondContact OD1-CD2 3.47Å
238	W	98.3	Very high	97.3	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.038	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136.9	170.6	-64.7	-12.1	0	0	0	111.4	P75 W76 E240 C254 P256 L272 W273	P75-W238 HydrophobicContact CG-CZ3 4.37Å; W76-W238 AromaticContact CH2-CH2 3.52Å; W76-W238 HydrophobicContact CH2-CH2 3.52Å; W76-W238 HydrophobicContact CH2-CZ2 4.37Å; W76-W238 AromaticContact CH2-CZ3 3.76Å; W76-W238 HydrophobicContact CH2-CZ3 3.76Å; W76-W238 HydrophobicContact CZ2-CH2 4.43Å; W76-W238 HydrophobicContact CZ2-CZ3 4.24Å; W76-W238 AromaticContact CZ3-CH2 4Å; W76-W238 HydrophobicContact CZ3-CH2 4Å; W238-E240 PolarHBondContact O-N 3.4Å; W238-C254 CarbonylContact C-O 3.37Å; W238-P256 HydrophobicContact CB-CG 3.98Å; W238-P256 HydrophobicContact CD2-CB 3.54Å; W238-P256 HydrophobicContact CD2-CG 3.66Å; W238-P256 HydrophobicContact CE3-CB 3.5Å; W238-P256 VanDerWaalsContact CE3-CB 3.5Å; W238-P256 HydrophobicContact CE3-CG 3.58Å; W238-P256 HydrophobicContact CG-CB 4.11Å; W238-P256 HydrophobicContact CG-CG 3.84Å; W238-P256 HydrophobicContact CH2-CB 4.07Å; W238-P256 HydrophobicContact CZ2-CB 4.11Å; W238-P256 HydrophobicContact CZ3-CB 3.78Å; W238-P256 HydrophobicContact CZ3-CG 4.29Å; W238-L272 HydrophobicContact CG-CD2 4.31Å; W238-L272 HydrophobicContact CZ2-CD1 3.85Å; W238-W273 AromaticContact CZ2-NE1 3.69Å; W238-W273 PolarHBondContact NE1-O 2.93Å
239	W	97.5	Very high	97	Very high	25 Å²	25	49.1 Å²	49.1	10%	0.095	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-0.8	-176.2	-40.3	105.6	0	0	0	115.6	V61 T62 D237 C254 T255 P256 E299 I300 F304	V61-W239 HydrophobicContact CB-CD2 4.15Å; V61-W239 HydrophobicContact CB-CG 4.49Å; V61-W239 HydrophobicContact CB-CH2 4.42Å; V61-W239 HydrophobicContact CB-CZ2 3.72Å; V61-W239 HydrophobicContact CG1-CD2 4.42Å; V61-W239 HydrophobicContact CG1-CH2 4.31Å; V61-W239 HydrophobicContact CG1-CZ2 4.09Å; V61-W239 HydrophobicContact CG2-CD2 3.99Å; V61-W239 HydrophobicContact CG2-CG 3.82Å; V61-W239 HydrophobicContact CG2-CZ2 4.41Å; T62-W239 PolarHBondContact O-NE1 2.99Å; D237-W239 PolarHBondContact O-N 3.14Å; W239-C254 WeakPolarHBondContact CA-O 3.5Å; W239-C254 PolarHBondContact N-O 3.29Å; W239-T255 HydrophobicContact CE3-CG2 4.14Å; W239-T255 HydrophobicContact CZ3-CG2 4.03Å; W239-P256 HydrophobicContact CD2-CG 4.39Å; W239-P256 VanDerWaalsContact CE2-CG 3.48Å; W239-P256 HydrophobicContact CH2-CG 3.99Å; W239-P256 HydrophobicContact CZ2-CG 3.27Å; W239-E299 HydrophobicContact CH2-CB 4.03Å; W239-E299 HydrophobicContact CZ2-CB 4.47Å; W239-I300 HydrophobicContact CH2-CG1 3.68Å; W239-I300 HydrophobicContact CZ3-CG1 3.84Å; W239-F304 AromaticContact CE3-CE2 3.97Å; W239-F304 HydrophobicContact CE3-CE2 3.97Å; W239-F304 HydrophobicContact CE3-CZ 4.45Å; W239-F304 AromaticContact CZ3-CE2 3.87Å; W239-F304 HydrophobicContact CZ3-CE2 3.87Å
240	E	98.1	Very high	96.9	Very high	95 Å²	95	47.2 Å²	47.2	44%	0.444	26%	0.258	S	S	.	.			trans	-76.4	148.7	167.1	-63.4	-171	147	0	0	110.5	L236 D237 W238 V253 C254	L236-E240 HydrophobicContact CB-CB 4.15Å; L236-E240 HydrophobicContact CD2-CB 3.86Å; D237-E240 HydrophobicContact CB-CG 3.96Å; D237-E240 PolarHBondContact N-OE2 3.04Å; D237-E240 WeakPolarHBondContact O-CB 3.42Å; D237-E240 PolarHBondContact O-N 2.76Å; D237-E240 VanDerWaalsContact O-N 3.08Å; W238-E240 PolarHBondContact O-N 3.4Å; E240-V253 WeakPolarHBondContact O-CA 3.28Å; E240-C254 PolarHBondContact O-N 3.31Å
241	E	98.2	Very high	96.9	Very high	82 Å²	82	47.6 Å²	47.6	38%	0.383	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.7	-173.6	69.5	-177.3	-163.9	0	0	111.6	Y55 T251 F252 V253	Y55-E241 PolarHBondContact OH-OE2 3.25Å; E241-T251 HydrophobicContact CB-CG2 3.7Å; E241-T251 HydrophobicContact CG-CG2 4.11Å; E241-F252 CarbonylContact C-O 3.57Å; E241-F252 VanDerWaalsContact CA-O 3.23Å; E241-F252 WeakPolarHBondContact CA-O 3.35Å; E241-V253 HydrophobicContact CB-CB 4.48Å; E241-V253 HydrophobicContact CB-CG1 4.47Å; E241-V253 HydrophobicContact CB-CG2 3.96Å
242	N	98.4	Very high	97	Very high	50 Å²	50	39.5 Å²	39.5	27%	0.267	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-177.9	170.2	-144.7	-69.8	0	0	0	110.1	R214 F216 M234 L236 F252	R214-N242 PolarHBondContact NH1-OD1 2.88Å; F216-N242 HydrophobicContact CE1-CB 4.06Å; M234-N242 VanDerWaalsContact CE-ND2 3.34Å; M234-N242 WeakPolarHBondContact CE-ND2 3.33Å; M234-N242 HydrophobicContact CG-CB 3.75Å; M234-N242 HydrophobicContact SD-CB 4.18Å; M234-N242 PolarHBondContact SD-ND2 2.79Å; L236-N242 HydrophobicContact CD1-CB 4.26Å; L236-N242 HydrophobicContact CD2-CB 4.37Å; N242-F252 PolarHBondContact N-O 3.37Å; N242-F252 PolarHBondContact O-N 2.88Å
243	C	98	Very high	97	Very high	31 Å²	31	38 Å²	38	21%	0.209	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	168.7	178.9	55.9	0	0	0	0	110.7	R214 I250	R214-C243 PolarHBondContact NH1-O 2.78Å; C243-I250 VanDerWaalsContact CB-O 3.26Å; C243-I250 WeakPolarHBondContact CB-O 3.39Å
244	V	97.3	Very high	97	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.042	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.9	166.1	177.5	0	0	0	0	108	A186 R214 F216 G246 H247 F252	A186-V244 HydrophobicContact CB-CG2 3.92Å; R214-V244 HydrophobicContact CB-CG2 4.44Å; F216-V244 HydrophobicContact CE2-CG2 3.82Å; F216-V244 HydrophobicContact CZ-CG2 3.99Å; V244-G246 PolarHBondContact O-N 2.76Å; V244-H247 HydrophobicContact CB-CB 4.27Å; V244-H247 CarbonylContact O-C 3.56Å; V244-H247 WeakPolarHBondContact O-CA 3.15Å; V244-H247 PolarHBondContact O-N 3.27Å; V244-F252 HydrophobicContact CG2-CE2 3.78Å; V244-F252 HydrophobicContact CG2-CZ 4.05Å
245	P	94.3	Very high	97	Very high	75 Å²	75	35.5 Å²	35.5	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	128	178.9	-23.7	35.3	0	0	0	111.2	H247	P245-H247 VanDerWaalsContact C-N 3.33Å
246	G	93.2	Very high	97	Very high	69 Å²	69	33.1 Å²	33.1	71%	0.711	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.5	-9.1	-175.1	0	0	0	0	0	114.2	V244 D248	V244-G246 PolarHBondContact O-N 2.76Å; G246-D248 PolarHBondContact N-OD1 3.04Å
247	H	93.6	Very high	97	Very high	45 Å²	45	32.9 Å²	32.9	21%	0.208	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	45.5	174.8	-61.1	-89.9	0	0	0	110.8	V148 V244 P245 N249 I250	V148-H247 HydrophobicContact CG2-CB 3.91Å; V148-H247 VanDerWaalsContact CG2-ND1 3.31Å; V148-H247 WeakPolarHBondContact CG2-ND1 3.46Å; V244-H247 HydrophobicContact CB-CB 4.27Å; V244-H247 CarbonylContact O-C 3.56Å; V244-H247 WeakPolarHBondContact O-CA 3.15Å; V244-H247 PolarHBondContact O-N 3.27Å; P245-H247 VanDerWaalsContact C-N 3.33Å; H247-N249 PolarHBondContact O-N 3.27Å; H247-I250 PolarHBondContact O-N 3.07Å
248	D	92.8	Very high	97	Very high	93 Å²	93	31.1 Å²	31.1	50%	0.497	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-11.4	-172.7	-56.1	-5.6	0	0	0	114.2	G246 I250	G246-D248 PolarHBondContact N-OD1 3.04Å; D248-I250 VanDerWaalsContact C-N 3.34Å
249	N	92.5	Very high	97	Very high	56 Å²	56	30.6 Å²	30.6	30%	0.299	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-10	174.8	62.7	-54.4	0	0	0	113.4	F51 H247 P281	F51-N249 HydrophobicContact CD1-CB 4.32Å; H247-N249 PolarHBondContact O-N 3.27Å; N249-P281 HydrophobicContact CB-CG 4.39Å; N249-P281 WeakPolarHBondContact O-CD 3.33Å
250	I	96.3	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117	178.2	-61.1	161.9	0	0	0	108.6	E146 V148 C243 H247 D248 F252 V278 L279	E146-I250 HydrophobicContact CB-CD1 4.02Å; V148-I250 HydrophobicContact CB-CD1 3.97Å; V148-I250 HydrophobicContact CG2-CD1 3.3Å; C243-I250 VanDerWaalsContact CB-O 3.26Å; C243-I250 WeakPolarHBondContact CB-O 3.39Å; H247-I250 PolarHBondContact O-N 3.07Å; D248-I250 VanDerWaalsContact C-N 3.34Å; I250-F252 HydrophobicContact CB-CE2 4.42Å; I250-F252 HydrophobicContact CG2-CD2 4.34Å; I250-F252 HydrophobicContact CG2-CE2 3.7Å; I250-F252 HydrophobicContact CG2-CZ 4.09Å; I250-V278 HydrophobicContact CG2-CG1 3.62Å; I250-L279 WeakPolarHBondContact CA-O 3.49Å
251	T	98.4	Very high	96.9	Very high	14 Å²	14	27.1 Å²	27.1	9%	0.086	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	127.9	-176.4	-54.7	0	0	0	0	110.2	E241 V253 V278 L279	E241-T251 HydrophobicContact CB-CG2 3.7Å; E241-T251 HydrophobicContact CG-CG2 4.11Å; T251-V253 HydrophobicContact CG2-CG2 3.97Å; T251-V278 CarbonylContact O-C 3.58Å; T251-V278 WeakPolarHBondContact O-CA 3.29Å; T251-L279 PolarHBondContact N-O 3.43Å; T251-L279 PolarHBondContact O-N 3.47Å
252	F	98.8	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.9	174.9	-64.9	-101.6	0	0	0	108	V148 I150 A186 L188 F216 E241 N242 V244 I250 V278	V148-F252 HydrophobicContact CG1-CZ 4.33Å; I150-F252 HydrophobicContact CD1-CE1 3.75Å; I150-F252 HydrophobicContact CD1-CZ 3.89Å; I150-F252 HydrophobicContact CG1-CE1 3.99Å; I150-F252 HydrophobicContact CG1-CZ 4.08Å; I150-F252 HydrophobicContact CG2-CE1 4.24Å; A186-F252 HydrophobicContact CB-CE1 3.92Å; A186-F252 HydrophobicContact CB-CZ 3.92Å; L188-F252 HydrophobicContact CD1-CD1 4.49Å; L188-F252 HydrophobicContact CD2-CD1 3.57Å; L188-F252 HydrophobicContact CD2-CE1 3.89Å; F216-F252 HydrophobicContact CD1-CB 3.92Å; F216-F252 HydrophobicContact CD1-CG 4.38Å; F216-F252 HydrophobicContact CD2-CD1 4.25Å; F216-F252 HydrophobicContact CD2-CG 4.43Å; F216-F252 HydrophobicContact CE1-CB 3.62Å; F216-F252 HydrophobicContact CE1-CD2 4.14Å; F216-F252 AromaticContact CE1-CG 3.89Å; F216-F252 HydrophobicContact CE1-CG 3.89Å; F216-F252 HydrophobicContact CE2-CD1 4.05Å; F216-F252 HydrophobicContact CE2-CD2 4.1Å; F216-F252 HydrophobicContact CE2-CE1 4.24Å; F216-F252 HydrophobicContact CE2-CE2 4.31Å; F216-F252 AromaticContact CE2-CG 3.96Å; F216-F252 HydrophobicContact CE2-CG 3.96Å; F216-F252 HydrophobicContact CE2-CZ 4.37Å; F216-F252 HydrophobicContact CG-CB 4.47Å; F216-F252 HydrophobicContact CZ-CB 3.95Å; F216-F252 HydrophobicContact CZ-CD1 4.24Å; F216-F252 AromaticContact CZ-CD2 3.62Å; F216-F252 HydrophobicContact CZ-CD2 3.62Å; F216-F252 HydrophobicContact CZ-CE2 4.15Å; F216-F252 AromaticContact CZ-CG 3.67Å; F216-F252 HydrophobicContact CZ-CG 3.67Å; E241-F252 CarbonylContact C-O 3.57Å; E241-F252 VanDerWaalsContact CA-O 3.23Å; E241-F252 WeakPolarHBondContact CA-O 3.35Å; N242-F252 PolarHBondContact N-O 3.37Å; N242-F252 PolarHBondContact O-N 2.88Å; V244-F252 HydrophobicContact CG2-CE2 3.78Å; V244-F252 HydrophobicContact CG2-CZ 4.05Å; I250-F252 HydrophobicContact CB-CE2 4.42Å; I250-F252 HydrophobicContact CG2-CD2 4.34Å; I250-F252 HydrophobicContact CG2-CE2 3.7Å; I250-F252 HydrophobicContact CG2-CZ 4.09Å; F252-V278 HydrophobicContact CD1-CG1 4.14Å; F252-V278 HydrophobicContact CD1-CG2 3.73Å; F252-V278 HydrophobicContact CE1-CG1 3.91Å; F252-V278 HydrophobicContact CE1-CG2 3.92Å; F252-V278 HydrophobicContact CZ-CG1 4.14Å
253	V	98.8	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.1	-178.7	-167.7	0	0	0	0	108.7	E240 E241 T251 T255 W276 S277 L279 F304	E240-V253 WeakPolarHBondContact O-CA 3.28Å; E241-V253 HydrophobicContact CB-CB 4.48Å; E241-V253 HydrophobicContact CB-CG1 4.47Å; E241-V253 HydrophobicContact CB-CG2 3.96Å; T251-V253 HydrophobicContact CG2-CG2 3.97Å; V253-T255 HydrophobicContact CB-CG2 4.34Å; V253-T255 HydrophobicContact CG1-CG2 3.99Å; V253-T255 PolarHBondContact O-N 2.94Å; V253-W276 WeakPolarHBondContact O-CA 3.41Å; V253-S277 PolarHBondContact N-O 3.3Å; V253-S277 PolarHBondContact O-N 3.03Å; V253-L279 HydrophobicContact CG2-CD1 3.87Å; V253-L279 HydrophobicContact CG2-CG 4.43Å; V253-F304 HydrophobicContact CB-CZ 4.39Å; V253-F304 HydrophobicContact CG1-CE2 4.07Å; V253-F304 HydrophobicContact CG1-CZ 3.82Å; V253-F304 HydrophobicContact CG2-CE1 4.37Å; V253-F304 HydrophobicContact CG2-CZ 4.2Å
254	C	98.8	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.3	168.7	-177.2	0	0	0	0	107.2	L236 D237 W238 W239 E240 S274 W276	L236-C254 HydrophobicContact CB-CB 3.6Å; L236-C254 HydrophobicContact CD1-CB 4.32Å; L236-C254 PolarHBondContact O-SG 3.32Å; D237-C254 VanDerWaalsContact O-CB 3.32Å; D237-C254 WeakPolarHBondContact O-CB 3.34Å; W238-C254 CarbonylContact C-O 3.37Å; W239-C254 WeakPolarHBondContact CA-O 3.5Å; W239-C254 PolarHBondContact N-O 3.29Å; E240-C254 PolarHBondContact O-N 3.31Å; C254-S274 WeakPolarHBondContact SG-CB 3.46Å; C254-W276 HydrophobicContact CB-CE3 4.26Å; C254-W276 HydrophobicContact CB-CH2 3.73Å; C254-W276 HydrophobicContact CB-CZ2 4.36Å; C254-W276 HydrophobicContact CB-CZ3 3.69Å
255	T	98.7	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.5	-173.9	43.9	0	0	0	0	111.1	W239 V253 S274 S275 W276 S277 I300 F304	W239-T255 HydrophobicContact CE3-CG2 4.14Å; W239-T255 HydrophobicContact CZ3-CG2 4.03Å; V253-T255 HydrophobicContact CB-CG2 4.34Å; V253-T255 HydrophobicContact CG1-CG2 3.99Å; V253-T255 PolarHBondContact O-N 2.94Å; T255-S274 CarbonylContact O-C 3.45Å; T255-S274 WeakPolarHBondContact O-CA 3.32Å; T255-S274 WeakPolarHBondContact O-CB 3.18Å; T255-S275 WeakPolarHBondContact CB-OG 3.44Å; T255-S275 PolarHBondContact N-O 2.8Å; T255-S275 PolarHBondContact O-N 2.92Å; T255-S275 VanDerWaalsContact O-O 3.09Å; T255-S275 PolarHBondContact O-OG 3.15Å; T255-S275 PolarHBondContact OG1-O 2.87Å; T255-S275 PolarHBondContact OG1-OG 2.88Å; T255-W276 PolarHBondContact OG1-N 2.85Å; T255-S277 WeakPolarHBondContact CG2-OG 3.42Å; T255-I300 HydrophobicContact CG2-CD1 4.5Å; T255-I300 HydrophobicContact CG2-CG1 4.22Å; T255-F304 HydrophobicContact CG2-CD2 4.37Å; T255-F304 HydrophobicContact CG2-CE2 3.9Å
256	P	98.4	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.			trans	-69.7	146.8	-176.4	-18.4	30.4	0	0	0	114.1	W76 W238 W239 S275 S296	W76-P256 HydrophobicContact CH2-CB 3.76Å; W76-P256 HydrophobicContact CZ2-CB 3.9Å; W238-P256 HydrophobicContact CB-CG 3.98Å; W238-P256 HydrophobicContact CD2-CB 3.54Å; W238-P256 HydrophobicContact CD2-CG 3.66Å; W238-P256 HydrophobicContact CE3-CB 3.5Å; W238-P256 VanDerWaalsContact CE3-CB 3.5Å; W238-P256 HydrophobicContact CE3-CG 3.58Å; W238-P256 HydrophobicContact CG-CB 4.11Å; W238-P256 HydrophobicContact CG-CG 3.84Å; W238-P256 HydrophobicContact CH2-CB 4.07Å; W238-P256 HydrophobicContact CZ2-CB 4.11Å; W238-P256 HydrophobicContact CZ3-CB 3.78Å; W238-P256 HydrophobicContact CZ3-CG 4.29Å; W239-P256 HydrophobicContact CD2-CG 4.39Å; W239-P256 VanDerWaalsContact CE2-CG 3.48Å; W239-P256 HydrophobicContact CH2-CG 3.99Å; W239-P256 HydrophobicContact CZ2-CG 3.27Å; P256-S275 PolarHBondContact O-OG 3.05Å; P256-S296 VanDerWaalsContact CB-OG 3.31Å; P256-S296 WeakPolarHBondContact CB-OG 3.34Å; P256-S296 VanDerWaalsContact CG-OG 3.31Å; P256-S296 WeakPolarHBondContact CG-OG 3.38Å
257	S	98.1	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.			trans	-134.5	155.8	167.5	164.8	0	0	0	0	108.5	W76 W273 D290 T291	W76-S257 WeakPolarHBondContact CH2-O 3.33Å; W76-S257 VanDerWaalsContact CZ3-O 3.25Å; W76-S257 WeakPolarHBondContact CZ3-O 3.37Å; S257-W273 PolarHBondContact O-NE1 2.57Å; S257-D290 PolarHBondContact OG-O 2.83Å; S257-T291 WeakPolarHBondContact OG-CB 3.46Å; S257-T291 PolarHBondContact OG-OG1 3.19Å
258	Q	98.4	Very high	96	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-94.7	91.8	169	-175	-178.2	-83.4	0	0	111.2	N74 W76 T78 W79 T291 G292 Y293 C294 G325	N74-Q258 WeakPolarHBondContact OD1-CA 3.46Å; W76-Q258 HydrophobicContact CE3-CB 3.7Å; W76-Q258 HydrophobicContact CE3-CG 3.88Å; W76-Q258 HydrophobicContact CZ3-CB 3.7Å; W76-Q258 HydrophobicContact CZ3-CG 4.24Å; T78-Q258 PolarHBondContact OG1-OE1 3.19Å; W79-Q258 HydrophobicContact CB-CG 4.28Å; W79-Q258 HydrophobicContact CE3-CG 3.73Å; W79-Q258 HydrophobicContact CZ3-CG 4.47Å; Q258-T291 PolarHBondContact N-OG1 3.28Å; Q258-T291 CarbonylContact O-C 3.55Å; Q258-T291 WeakPolarHBondContact O-CA 3.34Å; Q258-G292 PolarHBondContact O-N 3.3Å; Q258-Y293 PolarHBondContact NE2-O 2.91Å; Q258-C294 HydrophobicContact CB-CB 3.81Å; Q258-G325 PolarHBondContact NE2-O 3.22Å
259	H	98	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.			trans	-149.2	-156	177.8	-157.5	42.1	0	0	0	111.6	N74 H191 H193 W273 D290 Q326 H327	N74-H259 PolarHBondContact ND2-O 3.38Å; H191-H259 AromaticContact CD2-CD2 3.53Å; H191-H259 AromaticContact CD2-NE2 3.84Å; H191-H259 AromaticContact CE1-CD2 3.87Å; H191-H259 AromaticContact CE1-NE2 3.92Å; H191-H259 AromaticContact CG-CD2 3.96Å; H191-H259 AromaticContact NE2-CD2 3.48Å; H191-H259 PolarHBondContact NE2-CD2 3.12Å; H191-H259 AromaticContact NE2-NE2 3.37Å; H191-H259 PolarHBondContact NE2-NE2 3.02Å; H193-H259 AromaticContact CE1-NE2 3.49Å; H193-H259 PolarHBondContact CE1-NE2 2.91Å; H193-H259 AromaticContact ND1-NE2 3.46Å; H193-H259 PolarHBondContact ND1-NE2 3.22Å; H259-W273 HydrophobicContact CB-CB 4.31Å; H259-W273 HydrophobicContact CB-CG 3.99Å; H259-W273 WeakPolarHBondContact O-CZ2 3.49Å; H259-W273 PolarHBondContact O-NE1 3.37Å; H259-D290 WeakPolarHBondContact CB-O 3.07Å; H259-D290 WeakPolarHBondContact CD2-CB 3.47Å; H259-D290 IonicContact CE1-OD2 3.28Å; H259-D290 WeakPolarHBondContact NE2-CB 3.17Å; H259-D290 IonicContact NE2-OD2 3.75Å; H259-D290 PolarHBondContact NE2-OD2 3.19Å; H259-Q326 PolarHBondContact CE1-O 2.57Å; H259-Q326 PolarHBondContact ND1-O 3.22Å; H259-Q326 VanDerWaalsContact ND1-O 3.12Å; H259-H327 AromaticContact CE1-CE1 3.85Å; H259-H327 AromaticContact CE1-NE2 3.89Å
260	W	97.8	Very high	96.4	Very high	46 Å²	46	35.9 Å²	35.9	17%	0.174	17%	0.169	C	C	.	.			trans	-151.3	173.9	178.4	62	-70.5	0	0	0	110.3	W79 F81 H193 K262 N269 W273	W79-W260 HydrophobicContact CH2-CB 3.87Å; W79-W260 AromaticContact CH2-CD1 3.84Å; W79-W260 HydrophobicContact CH2-CG 4.09Å; W79-W260 HydrophobicContact CZ2-CB 4.39Å; F81-W260 HydrophobicContact CE2-CD2 4.16Å; F81-W260 HydrophobicContact CE2-CE3 4.46Å; F81-W260 HydrophobicContact CE2-CG 4.4Å; H193-W260 AromaticContact CE1-CD2 3.7Å; H193-W260 AromaticContact CE1-CE2 3.44Å; H193-W260 VanDerWaalsContact CE1-CE2 3.44Å; H193-W260 AromaticContact CE1-CZ2 3.7Å; H193-W260 AromaticContact CE1-NE1 3.74Å; H193-W260 PolarHBondContact CE1-O 2.71Å; H193-W260 AromaticContact NE2-CD2 3.57Å; H193-W260 AromaticContact NE2-CE2 3.6Å; H193-W260 AromaticContact NE2-CE3 3.58Å; H193-W260 AromaticContact NE2-CH2 3.66Å; H193-W260 AromaticContact NE2-CZ2 3.65Å; H193-W260 AromaticContact NE2-CZ3 3.64Å; W260-K262 HydrophobicContact CE3-CB 3.87Å; W260-K262 HydrophobicContact CH2-CB 4.26Å; W260-K262 HydrophobicContact CH2-CD 4.44Å; W260-K262 HydrophobicContact CZ3-CB 3.33Å; W260-K262 HydrophobicContact CZ3-CD 3.74Å; W260-K262 HydrophobicContact CZ3-CG 4.18Å; W260-N269 WeakPolarHBondContact CB-OD1 3.27Å; W260-W273 VanDerWaalsContact CA-CE3 3.45Å
261	S	97.1	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.172	C	C	.	.			trans	-135.8	136.1	-178	-102.2	0	0	0	0	110.3	S192 D268 N269 S271 L272	S192-S261 PolarHBondContact N-OG 3.11Å; S192-S261 WeakPolarHBondContact OG-CA 3.13Å; S192-S261 WeakPolarHBondContact OG-CB 3.1Å; S192-S261 PolarHBondContact OG-OG 3.27Å; S261-D268 CarbonylContact O-C 3.58Å; S261-N269 PolarHBondContact N-OD1 3.44Å; S261-N269 VanDerWaalsContact N-OD1 3.09Å; S261-N269 PolarHBondContact O-N 2.79Å; S261-N269 PolarHBondContact O-OD1 2.92Å; S261-S271 VanDerWaalsContact CB-O 3.24Å; S261-S271 WeakPolarHBondContact CB-O 3.43Å; S261-S271 WeakPolarHBondContact CB-OG 3.46Å; S261-S271 PolarHBondContact OG-OG 3.4Å; S261-L272 PolarHBondContact OG-O 3.34Å
262	K	96.1	Very high	96.5	Very high	64 Å²	64	35.7 Å²	35.7	28%	0.278	17%	0.168	S	C	.	.			trans	-164	140.7	172.2	-172.1	176.8	-168.8	155.3	0	111.5	S192 H193 W260 T264 D267 D268	S192-K262 PolarHBondContact OG-N 2.75Å; S192-K262 VanDerWaalsContact OG-N 3.12Å; H193-K262 PolarHBondContact CD2-O 2.86Å; W260-K262 HydrophobicContact CE3-CB 3.87Å; W260-K262 HydrophobicContact CH2-CB 4.26Å; W260-K262 HydrophobicContact CH2-CD 4.44Å; W260-K262 HydrophobicContact CZ3-CB 3.33Å; W260-K262 HydrophobicContact CZ3-CD 3.74Å; W260-K262 HydrophobicContact CZ3-CG 4.18Å; K262-T264 WeakPolarHBondContact CE-O 3.44Å; K262-T264 VanDerWaalsContact CG-O 3.31Å; K262-T264 WeakPolarHBondContact CG-O 3.48Å; K262-D267 WeakPolarHBondContact CG-OD1 3.45Å; K262-D268 WeakPolarHBondContact CD-OD1 3.38Å; K262-D268 WeakPolarHBondContact CE-OD1 3.45Å; K262-D268 VanDerWaalsContact NZ-CG 3.35Å; K262-D268 IonicContact NZ-OD1 2.74Å; K262-D268 PolarHBondContact NZ-OD1 2.76Å; K262-D268 IonicContact NZ-OD2 2.89Å; K262-D268 PolarHBondContact NZ-OD2 2.72Å
263	R	94.1	Very high	96.5	Very high	27 Å²	27	35.8 Å²	35.8	10%	0.102	17%	0.168	C	C	.	.	S	Bend	trans	-127.6	-35.5	171.5	-65.5	-177.7	74	79.2	-12.7	111.9	S192 Y194 L197 D267	S192-R263 VanDerWaalsContact O-CD 3.24Å; S192-R263 WeakPolarHBondContact O-CD 3.46Å; S192-R263 WeakPolarHBondContact O-CG 3.44Å; S192-R263 PolarHBondContact O-NH1 3.05Å; Y194-R263 HydrophobicContact CE2-CB 4.38Å; Y194-R263 WeakPolarHBondContact CE2-O 3.32Å; Y194-R263 PolarHBondContact OH-O 2.9Å; L197-R263 PolarHBondContact O-NH1 3.1Å; L197-R263 PolarHBondContact O-NH2 3.15Å; R263-D267 PolarHBondContact N-OD1 3.18Å; R263-D267 PolarHBondContact N-OD2 2.99Å
264	T	92.9	Very high	96.5	Very high	72 Å²	72	35.8 Å²	35.8	44%	0.442	17%	0.169	S	C	.	.	S	Bend	trans	-119	175.3	-177.6	67.1	0	0	0	0	110.9	K262 W266 D267	K262-T264 WeakPolarHBondContact CE-O 3.44Å; K262-T264 VanDerWaalsContact CG-O 3.31Å; K262-T264 WeakPolarHBondContact CG-O 3.48Å; T264-W266 PolarHBondContact O-N 3.02Å; T264-W266 VanDerWaalsContact O-N 3.1Å; T264-D267 VanDerWaalsContact N-CG 3.26Å; T264-D267 PolarHBondContact N-OD1 2.96Å; T264-D267 PolarHBondContact N-OD2 3.02Å; T264-D267 VanDerWaalsContact O-OD1 3.08Å; T264-D267 PolarHBondContact OG1-OD1 2.89Å; T264-D267 PolarHBondContact OG1-OD2 2.78Å
265	A	89.4	Confident	96.5	Very high	66 Å²	66	35.8 Å²	35.8	55%	0.545	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.9	179.4	0	0	0	0	0	114.1
266	W	91.6	Very high	96.5	Very high	200 Å²	200	35.8 Å²	35.8	76%	0.758	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.5	3.9	-166	-47.3	106	0	0	0	114.7	T264 R270	T264-W266 PolarHBondContact O-N 3.02Å; T264-W266 VanDerWaalsContact O-N 3.1Å; W266-R270 PolarHBondContact O-NE 3.02Å
267	D	95	Very high	96.5	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.171	17%	0.169	C	C	.	.			trans	-114.2	18.7	-171.9	67.2	5.2	0	0	0	114.8	K262 R263 T264 N269 R270	K262-D267 WeakPolarHBondContact CG-OD1 3.45Å; R263-D267 PolarHBondContact N-OD1 3.18Å; R263-D267 PolarHBondContact N-OD2 2.99Å; T264-D267 VanDerWaalsContact N-CG 3.26Å; T264-D267 PolarHBondContact N-OD1 2.96Å; T264-D267 PolarHBondContact N-OD2 3.02Å; T264-D267 VanDerWaalsContact O-OD1 3.08Å; T264-D267 PolarHBondContact OG1-OD1 2.89Å; T264-D267 PolarHBondContact OG1-OD2 2.78Å; D267-N269 PolarHBondContact O-N 2.81Å; D267-R270 HydrophobicContact CB-CB 4.29Å; D267-R270 HydrophobicContact CB-CG 4.2Å; D267-R270 WeakPolarHBondContact O-CB 3.37Å; D267-R270 PolarHBondContact O-N 2.74Å
268	D	93.4	Very high	96.6	Very high	45 Å²	45	35.8 Å²	35.8	24%	0.241	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	119.8	176.2	-49	-110.4	0	0	0	110.7	R71 S261 K262 R270	R71-D268 WeakPolarHBondContact CD-O 3.45Å; R71-D268 PolarHBondContact NH1-O 3.04Å; R71-D268 IonicContact NH1-OD2 2.88Å; S261-D268 CarbonylContact O-C 3.58Å; K262-D268 WeakPolarHBondContact CD-OD1 3.38Å; K262-D268 WeakPolarHBondContact CE-OD1 3.45Å; K262-D268 VanDerWaalsContact NZ-CG 3.35Å; K262-D268 IonicContact NZ-OD1 2.74Å; K262-D268 PolarHBondContact NZ-OD1 2.76Å; K262-D268 IonicContact NZ-OD2 2.89Å; K262-D268 PolarHBondContact NZ-OD2 2.72Å; D268-R270 PolarHBondContact O-N 2.89Å; D268-R270 VanDerWaalsContact O-N 3.15Å
269	N	97	Very high	96.5	Very high	25 Å²	25	35.8 Å²	35.8	13%	0.134	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	29.9	179.3	-61.2	-1.8	0	0	0	114.7	R71 W72 W260 S261 D267 S271 W273	R71-N269 CarbonylContact C-O 3.47Å; R71-N269 WeakPolarHBondContact CA-O 3.48Å; R71-N269 HydrophobicContact CB-CB 4.16Å; W72-N269 HydrophobicContact CB-CB 4.4Å; W72-N269 PolarHBondContact N-O 3.49Å; W72-N269 VanDerWaalsContact O-CB 3.28Å; W72-N269 WeakPolarHBondContact O-CB 2.92Å; W72-N269 PolarHBondContact O-ND2 2.94Å; W260-N269 WeakPolarHBondContact CB-OD1 3.27Å; S261-N269 PolarHBondContact N-OD1 3.44Å; S261-N269 VanDerWaalsContact N-OD1 3.09Å; S261-N269 PolarHBondContact O-N 2.79Å; S261-N269 PolarHBondContact O-OD1 2.92Å; D267-N269 PolarHBondContact O-N 2.81Å; N269-S271 VanDerWaalsContact C-N 3.31Å; N269-W273 HydrophobicContact CB-CZ3 3.96Å; N269-W273 VanDerWaalsContact CG-CZ3 3.49Å
270	R	97.4	Very high	96.4	Very high	162 Å²	162	35.9 Å²	35.9	61%	0.611	17%	0.169	S	C	*	.	S	Bend	trans	-75	-22.6	169.4	-73.5	-166.2	-177.3	-137.7	0.1	113.1	W266 D267 D268	W266-R270 PolarHBondContact O-NE 3.02Å; D267-R270 HydrophobicContact CB-CB 4.29Å; D267-R270 HydrophobicContact CB-CG 4.2Å; D267-R270 WeakPolarHBondContact O-CB 3.37Å; D267-R270 PolarHBondContact O-N 2.74Å; D268-R270 PolarHBondContact O-N 2.89Å; D268-R270 VanDerWaalsContact O-N 3.15Å
271	S	98.2	Very high	96.1	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.063	18%	0.179	C	C	.	.	S	Bend	trans	-112.3	153.7	165.1	59.7	0	0	0	0	110.6	L219 S261 N269	L219-S271 CarbonylContact O-C 3.47Å; L219-S271 VanDerWaalsContact O-CA 3.27Å; L219-S271 WeakPolarHBondContact O-CA 3.44Å; L219-S271 WeakPolarHBondContact O-CB 3.34Å; S261-S271 VanDerWaalsContact CB-O 3.24Å; S261-S271 WeakPolarHBondContact CB-O 3.43Å; S261-S271 WeakPolarHBondContact CB-OG 3.46Å; S261-S271 PolarHBondContact OG-OG 3.4Å; N269-S271 VanDerWaalsContact C-N 3.31Å
272	L	98.6	Very high	95.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.208	C	C	.	.			trans	-74.5	165	174.9	-174.6	62.6	0	0	0	109.6	W72 P218 L219 D237 W238 S261	W72-L272 HydrophobicContact CB-CD1 4.16Å; W72-L272 VanDerWaalsContact CD1-N 3.32Å; W72-L272 HydrophobicContact CD2-CB 4.08Å; W72-L272 HydrophobicContact CD2-CD1 3.79Å; W72-L272 HydrophobicContact CD2-CG 4.43Å; W72-L272 HydrophobicContact CE3-CD1 3.84Å; W72-L272 HydrophobicContact CG-CB 4.12Å; W72-L272 HydrophobicContact CG-CD1 3.95Å; W72-L272 HydrophobicContact CZ2-CB 4.48Å; P218-L272 HydrophobicContact CB-CB 3.97Å; P218-L272 HydrophobicContact CB-CG 4.29Å; P218-L272 VanDerWaalsContact CG-O 3.27Å; P218-L272 WeakPolarHBondContact CG-O 3.43Å; L219-L272 HydrophobicContact CB-CB 4.14Å; L219-L272 HydrophobicContact CB-CD2 4.31Å; L219-L272 PolarHBondContact O-N 3.09Å; D237-L272 WeakPolarHBondContact OD1-CD2 3.47Å; W238-L272 HydrophobicContact CG-CD2 4.31Å; W238-L272 HydrophobicContact CZ2-CD1 3.85Å; S261-L272 PolarHBondContact OG-O 3.34Å
273	W	98.7	Very high	95.9	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	20%	0.198	C	C	.	.			trans	-123.1	152.7	171.1	52.8	88.1	0	0	0	108.1	W72 N74 S190 H191 W238 S257 H259 W260 N269	W72-W273 HydrophobicContact CB-CH2 3.83Å; W72-W273 HydrophobicContact CB-CZ3 3.69Å; N74-W273 VanDerWaalsContact ND2-CZ2 3.33Å; N74-W273 WeakPolarHBondContact ND2-CZ2 3.49Å; N74-W273 WeakPolarHBondContact OD1-CZ2 3.32Å; S190-W273 CarbonylContact O-C 3.6Å; S190-W273 WeakPolarHBondContact O-CA 3.12Å; H191-W273 HydrophobicContact CB-CB 3.68Å; W238-W273 AromaticContact CZ2-NE1 3.69Å; W238-W273 PolarHBondContact NE1-O 2.93Å; S257-W273 PolarHBondContact O-NE1 2.57Å; H259-W273 HydrophobicContact CB-CB 4.31Å; H259-W273 HydrophobicContact CB-CG 3.99Å; H259-W273 WeakPolarHBondContact O-CZ2 3.49Å; H259-W273 PolarHBondContact O-NE1 3.37Å; W260-W273 VanDerWaalsContact CA-CE3 3.45Å; N269-W273 HydrophobicContact CB-CZ3 3.96Å; N269-W273 VanDerWaalsContact CG-CZ3 3.49Å
274	S	98.7	Very high	96	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	20%	0.203	C	C	.	.			trans	-152.5	158.7	-174.8	63.3	0	0	0	0	112.6	S190 C254 T255 W276	S190-S274 WeakPolarHBondContact CA-O 3.49Å; S190-S274 WeakPolarHBondContact CB-O 3.31Å; S190-S274 PolarHBondContact O-N 3.32Å; S190-S274 PolarHBondContact O-OG 3.27Å; C254-S274 WeakPolarHBondContact SG-CB 3.46Å; T255-S274 CarbonylContact O-C 3.45Å; T255-S274 WeakPolarHBondContact O-CA 3.32Å; T255-S274 WeakPolarHBondContact O-CB 3.18Å; S274-W276 PolarHBondContact OG-NE1 2.87Å
275	S	98.9	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	171.6	151.5	58.6	0	0	0	0	109.5	T255 P256 F286 F287 A288	T255-S275 WeakPolarHBondContact CB-OG 3.44Å; T255-S275 PolarHBondContact N-O 2.8Å; T255-S275 PolarHBondContact O-N 2.92Å; T255-S275 VanDerWaalsContact O-O 3.09Å; T255-S275 PolarHBondContact O-OG 3.15Å; T255-S275 PolarHBondContact OG1-O 2.87Å; T255-S275 PolarHBondContact OG1-OG 2.88Å; P256-S275 PolarHBondContact O-OG 3.05Å; S275-F286 VanDerWaalsContact CB-CZ 3.42Å; S275-F286 WeakPolarHBondContact OG-CZ 3.43Å; S275-F287 CarbonylContact C-O 3.59Å; S275-F287 VanDerWaalsContact CA-O 3.24Å; S275-F287 WeakPolarHBondContact CA-O 3.43Å; S275-F287 WeakPolarHBondContact CB-O 3.34Å; S275-A288 WeakPolarHBondContact CB-O 3.27Å
276	W	98.9	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.1	178.7	-69	90.4	0	0	0	111.8	L188 I189 F216 L236 V253 C254 T255 S274 F286 F287	L188-W276 HydrophobicContact CB-CD2 4.39Å; L188-W276 HydrophobicContact CB-CG 4.06Å; L188-W276 HydrophobicContact CD1-CB 3.8Å; L188-W276 HydrophobicContact CD1-CG 4.07Å; L188-W276 HydrophobicContact CD2-CD2 4.41Å; L188-W276 HydrophobicContact CD2-CE3 4.49Å; L188-W276 HydrophobicContact CG-CG 4.48Å; I189-W276 PolarHBondContact O-NE1 3.49Å; F216-W276 HydrophobicContact CB-CE3 4.43Å; F216-W276 HydrophobicContact CB-CH2 3.57Å; F216-W276 HydrophobicContact CB-CZ2 3.96Å; F216-W276 HydrophobicContact CB-CZ3 3.82Å; F216-W276 HydrophobicContact CD1-CZ3 4.27Å; F216-W276 HydrophobicContact CG-CZ3 4.42Å; L236-W276 HydrophobicContact CB-CH2 4.39Å; L236-W276 HydrophobicContact CD1-CH2 3.94Å; L236-W276 HydrophobicContact CD1-CZ3 3.78Å; V253-W276 WeakPolarHBondContact O-CA 3.41Å; C254-W276 HydrophobicContact CB-CE3 4.26Å; C254-W276 HydrophobicContact CB-CH2 3.73Å; C254-W276 HydrophobicContact CB-CZ2 4.36Å; C254-W276 HydrophobicContact CB-CZ3 3.69Å; T255-W276 PolarHBondContact OG1-N 2.85Å; S274-W276 PolarHBondContact OG-NE1 2.87Å; W276-F286 CarbonylContact O-C 3.54Å; W276-F286 WeakPolarHBondContact O-CA 3.37Å; W276-F286 WeakPolarHBondContact O-CD2 3.31Å; W276-F287 HydrophobicContact CB-CB 4.34Å; W276-F287 AromaticContact CD1-CD1 4Å; W276-F287 PolarHBondContact N-O 2.75Å; W276-F287 PolarHBondContact O-N 3.3Å
277	S	98.9	Very high	97.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.5	168	-59	0	0	0	0	109.4	V253 T255	V253-S277 PolarHBondContact N-O 3.3Å; V253-S277 PolarHBondContact O-N 3.03Å; T255-S277 WeakPolarHBondContact CG2-OG 3.42Å
278	V	98.7	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.3	177.2	-173.2	0	0	0	0	108.7	M145 I150 L188 I250 T251 F252 R284 F285	M145-V278 HydrophobicContact CE-CG1 4.24Å; M145-V278 HydrophobicContact SD-CG1 4.31Å; I150-V278 HydrophobicContact CD1-CG1 3.77Å; I150-V278 HydrophobicContact CD1-CG2 4.33Å; L188-V278 HydrophobicContact CD1-CG2 3.9Å; I250-V278 HydrophobicContact CG2-CG1 3.62Å; T251-V278 CarbonylContact O-C 3.58Å; T251-V278 WeakPolarHBondContact O-CA 3.29Å; F252-V278 HydrophobicContact CD1-CG1 4.14Å; F252-V278 HydrophobicContact CD1-CG2 3.73Å; F252-V278 HydrophobicContact CE1-CG1 3.91Å; F252-V278 HydrophobicContact CE1-CG2 3.92Å; F252-V278 HydrophobicContact CZ-CG1 4.14Å; V278-R284 WeakPolarHBondContact O-CA 3.24Å; V278-F285 HydrophobicContact CB-CB 4.31Å; V278-F285 HydrophobicContact CB-CD1 4.39Å; V278-F285 HydrophobicContact CG2-CD1 4.04Å; V278-F285 PolarHBondContact N-O 3.37Å; V278-F285 PolarHBondContact O-N 3.4Å
279	L	98	Very high	97.5	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	107.4	-168.7	-47.5	175.4	0	0	0	109.5	L53 Y55 I250 T251 V253 R284 F304 F307	L53-L279 HydrophobicContact CD1-CB 4.28Å; L53-L279 HydrophobicContact CD2-CB 4.05Å; Y55-L279 HydrophobicContact CD1-CD1 4.06Å; Y55-L279 HydrophobicContact CE1-CD1 4.21Å; I250-L279 WeakPolarHBondContact CA-O 3.49Å; T251-L279 PolarHBondContact N-O 3.43Å; T251-L279 PolarHBondContact O-N 3.47Å; V253-L279 HydrophobicContact CG2-CD1 3.87Å; V253-L279 HydrophobicContact CG2-CG 4.43Å; L279-R284 HydrophobicContact CD2-CB 4.4Å; L279-R284 HydrophobicContact CD2-CG 4.12Å; L279-F304 HydrophobicContact CD1-CD1 3.53Å; L279-F304 HydrophobicContact CD1-CE1 3.86Å; L279-F304 HydrophobicContact CD1-CG 4.25Å; L279-F304 HydrophobicContact CD2-CB 4.01Å; L279-F304 HydrophobicContact CD2-CD1 4.37Å; L279-F304 HydrophobicContact CD2-CG 4.36Å; L279-F307 HydrophobicContact CD2-CE1 4.18Å
280	G	95.1	Very high	97.6	Very high	1 Å²	1	20 Å²	20	1%	0.01	9%	0.094	C	C	.	.			trans	-106	168.6	173.3	0	0	0	0	0	112	E146 N282 H283	E146-G280 WeakPolarHBondContact OE2-CA 3.38Å; G280-N282 VanDerWaalsContact C-N 3.29Å; G280-N282 PolarHBondContact O-N 3.2Å; G280-H283 WeakPolarHBondContact CA-O 3.22Å; G280-H283 PolarHBondContact N-O 3.49Å
281	P	92.5	Very high	97.7	Very high	58 Å²	58	12.3 Å²	12.3	38%	0.377	7%	0.065	S	C	.	.	S	Bend	trans	-52	-35.8	174.9	3.6	-22.3	0	0	0	116.4	F51 E146 N249	F51-P281 HydrophobicContact CZ-CB 4.42Å; E146-P281 WeakPolarHBondContact OE2-CD 3.34Å; E146-P281 VanDerWaalsContact OE2-CG 3.28Å; E146-P281 WeakPolarHBondContact OE2-CG 3.32Å; N249-P281 HydrophobicContact CB-CG 4.39Å; N249-P281 WeakPolarHBondContact O-CD 3.33Å
282	N	92.3	Very high	97.7	Very high	116 Å²	116	11.9 Å²	11.9	62%	0.62	6%	0.062	S	C	*	.	S	Bend	trans	-120.8	-26.2	-174.9	-45.9	-81.2	0	0	0	113.6	E146 G280	E146-N282 VanDerWaalsContact OE1-CA 3.31Å; E146-N282 WeakPolarHBondContact OE1-CA 3.24Å; E146-N282 WeakPolarHBondContact OE1-CB 3.4Å; E146-N282 PolarHBondContact OE1-N 3.46Å; E146-N282 PolarHBondContact OE1-ND2 3.49Å; G280-N282 VanDerWaalsContact C-N 3.29Å; G280-N282 PolarHBondContact O-N 3.2Å
283	H	95.1	Very high	97.7	Very high	14 Å²	14	14.3 Å²	14.3	7%	0.065	7%	0.072	C	C	.	.			trans	-124.9	154.5	-178.5	-58.2	92.6	0	0	0	111.8	M131 M145 E146 G280 D308	M131-H283 HydrophobicContact CB-CB 4.44Å; M131-H283 HydrophobicContact SD-CB 4.42Å; M145-H283 HydrophobicContact CE-CB 4.12Å; M145-H283 WeakPolarHBondContact CE-O 3.35Å; M145-H283 HydrophobicContact CG-CB 4.15Å; M145-H283 HydrophobicContact SD-CB 4.15Å; E146-H283 PolarHBondContact OE1-N 3.37Å; E146-H283 IonicContact OE1-ND1 2.82Å; G280-H283 WeakPolarHBondContact CA-O 3.22Å; G280-H283 PolarHBondContact N-O 3.49Å; H283-D308 VanDerWaalsContact CA-OD2 3.23Å; H283-D308 WeakPolarHBondContact CA-OD2 3.28Å
284	R	97.6	Very high	97.6	Very high	53 Å²	53	14.2 Å²	14.2	20%	0.2	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.1	173	-60.3	-178.5	-176.1	173.7	2.8	110.5	V278 L279 F304 G305 F307 D308 L309	V278-R284 WeakPolarHBondContact O-CA 3.24Å; L279-R284 HydrophobicContact CD2-CB 4.4Å; L279-R284 HydrophobicContact CD2-CG 4.12Å; R284-F304 VanDerWaalsContact CD-O 3.25Å; R284-F304 WeakPolarHBondContact CD-O 3.37Å; R284-F304 PolarHBondContact NH1-O 3.05Å; R284-G305 PolarHBondContact NH1-O 3.14Å; R284-G305 VanDerWaalsContact NH1-O 3.15Å; R284-F307 HydrophobicContact CB-CD1 3.73Å; R284-F307 HydrophobicContact CB-CE1 4.27Å; R284-F307 HydrophobicContact CB-CG 4.41Å; R284-D308 PolarHBondContact N-OD2 3.45Å; R284-D308 WeakPolarHBondContact O-CB 3.47Å; R284-D308 PolarHBondContact O-N 3.48Å; R284-L309 PolarHBondContact O-N 2.84Å
285	F	98.6	Very high	97.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.6	177.9	170.3	-107.1	0	0	0	110.8	M131 V141 V143 M145 T152 V278 F287 L309 A311	M131-F285 HydrophobicContact SD-CB 4.18Å; V141-F285 HydrophobicContact CG2-CZ 4.15Å; V143-F285 HydrophobicContact CG1-CD1 4.36Å; V143-F285 HydrophobicContact CG1-CD2 4.31Å; V143-F285 HydrophobicContact CG1-CG 4.13Å; V143-F285 HydrophobicContact CG2-CD1 4.21Å; V143-F285 HydrophobicContact CG2-CD2 4.3Å; V143-F285 HydrophobicContact CG2-CE1 3.77Å; V143-F285 HydrophobicContact CG2-CE2 3.88Å; V143-F285 HydrophobicContact CG2-CG 4.46Å; V143-F285 HydrophobicContact CG2-CZ 3.59Å; M145-F285 HydrophobicContact SD-CB 4.1Å; T152-F285 HydrophobicContact CG2-CE1 4.25Å; T152-F285 HydrophobicContact CG2-CZ 4.46Å; V278-F285 HydrophobicContact CB-CB 4.31Å; V278-F285 HydrophobicContact CB-CD1 4.39Å; V278-F285 HydrophobicContact CG2-CD1 4.04Å; V278-F285 PolarHBondContact N-O 3.37Å; V278-F285 PolarHBondContact O-N 3.4Å; F285-F287 HydrophobicContact CE1-CB 3.71Å; F285-F287 HydrophobicContact CZ-CB 3.88Å; F285-L309 CarbonylContact C-O 3.56Å; F285-L309 WeakPolarHBondContact CA-O 3.27Å; F285-L309 HydrophobicContact CD2-CB 4.34Å; F285-L309 HydrophobicContact CD2-CD2 4.33Å; F285-L309 HydrophobicContact CD2-CG 4.4Å; F285-L309 WeakPolarHBondContact CD2-O 3.45Å; F285-L309 HydrophobicContact CE2-CD2 4.5Å; F285-A311 HydrophobicContact CE2-CB 3.96Å; F285-A311 HydrophobicContact CZ-CB 3.93Å
286	F	98.9	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.6	172.3	-177.7	-99.4	0	0	0	110.8	S275 W276 A288 F297 I300 F307 L309 A310 A311 L340	S275-F286 VanDerWaalsContact CB-CZ 3.42Å; S275-F286 WeakPolarHBondContact OG-CZ 3.43Å; W276-F286 CarbonylContact O-C 3.54Å; W276-F286 WeakPolarHBondContact O-CA 3.37Å; W276-F286 WeakPolarHBondContact O-CD2 3.31Å; F286-A288 HydrophobicContact CD1-CB 4.42Å; F286-A288 VanDerWaalsContact CE1-CA 3.48Å; F286-A288 HydrophobicContact CE1-CB 3.74Å; F286-F297 HydrophobicContact CE1-CD1 4.47Å; F286-F297 HydrophobicContact CE1-CE1 4.39Å; F286-F297 HydrophobicContact CZ-CD1 4.15Å; F286-F297 HydrophobicContact CZ-CE1 4.08Å; F286-I300 HydrophobicContact CD2-CG2 4.03Å; F286-I300 HydrophobicContact CE2-CD1 3.99Å; F286-I300 HydrophobicContact CE2-CG2 3.77Å; F286-I300 HydrophobicContact CZ-CD1 4.17Å; F286-F307 HydrophobicContact CB-CD1 3.73Å; F286-F307 HydrophobicContact CB-CD2 4.49Å; F286-F307 HydrophobicContact CB-CE1 3.86Å; F286-F307 HydrophobicContact CB-CG 4.06Å; F286-F307 HydrophobicContact CB-CZ 4.29Å; F286-F307 HydrophobicContact CD2-CE1 4.4Å; F286-F307 HydrophobicContact CD2-CZ 4.18Å; F286-L309 PolarHBondContact N-O 3.5Å; F286-A310 HydrophobicContact CB-CB 3.93Å; F286-A310 HydrophobicContact CD1-CB 4.14Å; F286-A310 CarbonylContact O-C 3.6Å; F286-A310 VanDerWaalsContact O-CA 3.24Å; F286-A310 WeakPolarHBondContact O-CA 3.29Å; F286-A311 PolarHBondContact O-N 3.05Å; F286-L340 HydrophobicContact CB-CD1 4.43Å; F286-L340 HydrophobicContact CD1-CD1 3.25Å; F286-L340 HydrophobicContact CD1-CD2 4.1Å; F286-L340 HydrophobicContact CD1-CG 4.32Å; F286-L340 HydrophobicContact CD2-CD2 4.05Å; F286-L340 HydrophobicContact CE1-CD1 3.48Å; F286-L340 VanDerWaalsContact CE1-CD1 3.48Å; F286-L340 HydrophobicContact CE1-CD2 4Å; F286-L340 HydrophobicContact CE1-CG 4.36Å; F286-L340 HydrophobicContact CE2-CD2 4.01Å; F286-L340 HydrophobicContact CG-CD1 3.86Å; F286-L340 HydrophobicContact CG-CD2 4.09Å; F286-L340 HydrophobicContact CZ-CD1 4.28Å; F286-L340 HydrophobicContact CZ-CD2 3.95Å
287	F	98.9	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	114.9	172	173.4	-124.5	0	0	0	109.6	A139 T152 D153 S275 W276 F285 G289 A311 I348	A139-F287 HydrophobicContact CB-CE2 4.4Å; A139-F287 HydrophobicContact CB-CZ 4.27Å; T152-F287 HydrophobicContact CG2-CB 4.18Å; T152-F287 HydrophobicContact CG2-CD1 3.87Å; T152-F287 HydrophobicContact CG2-CD2 3.93Å; T152-F287 HydrophobicContact CG2-CE1 4.19Å; T152-F287 HydrophobicContact CG2-CE2 4.24Å; T152-F287 HydrophobicContact CG2-CG 3.73Å; T152-F287 HydrophobicContact CG2-CZ 4.37Å; D153-F287 HydrophobicContact CB-CE1 4.48Å; D153-F287 HydrophobicContact CB-CZ 4.08Å; D153-F287 VanDerWaalsContact OD2-CE1 3.32Å; D153-F287 WeakPolarHBondContact OD2-CE1 3.38Å; D153-F287 WeakPolarHBondContact OD2-CZ 3.3Å; S275-F287 CarbonylContact C-O 3.59Å; S275-F287 VanDerWaalsContact CA-O 3.24Å; S275-F287 WeakPolarHBondContact CA-O 3.43Å; S275-F287 WeakPolarHBondContact CB-O 3.34Å; W276-F287 HydrophobicContact CB-CB 4.34Å; W276-F287 AromaticContact CD1-CD1 4Å; W276-F287 PolarHBondContact N-O 2.75Å; W276-F287 PolarHBondContact O-N 3.3Å; F285-F287 HydrophobicContact CE1-CB 3.71Å; F285-F287 HydrophobicContact CZ-CB 3.88Å; F287-G289 VanDerWaalsContact C-N 3.32Å; F287-G289 PolarHBondContact O-N 2.68Å; F287-A311 HydrophobicContact CD2-CB 4.02Å; F287-I348 HydrophobicContact CD2-CD1 3.97Å; F287-I348 HydrophobicContact CE2-CD1 3.46Å; F287-I348 VanDerWaalsContact CE2-CD1 3.46Å
288	A	98.8	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.			trans	-71.7	-24.4	-173.7	0	0	0	0	0	114	S275 F286 A311	S275-A288 WeakPolarHBondContact CB-O 3.27Å; F286-A288 HydrophobicContact CD1-CB 4.42Å; F286-A288 VanDerWaalsContact CE1-CA 3.48Å; F286-A288 HydrophobicContact CE1-CB 3.74Å; A288-A311 WeakPolarHBondContact CB-O 3.36Å; A288-A311 PolarHBondContact N-O 3.25Å
289	G	98.5	Very high	97.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.			trans	59.1	-155.9	-161.9	0	0	0	0	0	111	F287 P313	F287-G289 VanDerWaalsContact C-N 3.32Å; F287-G289 PolarHBondContact O-N 2.68Å; G289-P313 WeakPolarHBondContact O-CD 3.43Å; G289-P313 WeakPolarHBondContact O-CG 3.42Å
290	D	98.6	Very high	97.1	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	11%	0.113	C	C	.	.	S	Bend	trans	-82.3	140.8	165.3	-80.1	-2.6	0	0	0	111	H191 H196 S257 H259 H327 H349	H191-D290 IonicContact CE1-OD2 3.64Å; H191-D290 PolarHBondContact CE1-OD2 3.39Å; H191-D290 IonicContact NE2-OD2 3.29Å; H196-D290 IonicContact CD2-OD2 3.93Å; H196-D290 IonicContact CE1-OD1 3.25Å; H196-D290 PolarHBondContact CE1-OD1 2.87Å; H196-D290 IonicContact CE1-OD2 3.1Å; H196-D290 IonicContact NE2-OD1 3.82Å; H196-D290 PolarHBondContact NE2-OD1 3.33Å; H196-D290 IonicContact NE2-OD2 3.13Å; H196-D290 PolarHBondContact NE2-OD2 2.92Å; S257-D290 PolarHBondContact OG-O 2.83Å; H259-D290 WeakPolarHBondContact CB-O 3.07Å; H259-D290 WeakPolarHBondContact CD2-CB 3.47Å; H259-D290 IonicContact CE1-OD2 3.28Å; H259-D290 WeakPolarHBondContact NE2-CB 3.17Å; H259-D290 IonicContact NE2-OD2 3.75Å; H259-D290 PolarHBondContact NE2-OD2 3.19Å; D290-H327 IonicContact OD2-CE1 2.7Å; D290-H327 PolarHBondContact OD2-CE1 3.17Å; D290-H327 VanDerWaalsContact OD2-CE1 3.25Å; D290-H349 IonicContact OD1-CD2 3.73Å; D290-H349 PolarHBondContact OD1-CD2 2.81Å; D290-H349 IonicContact OD1-CE1 3.4Å; D290-H349 IonicContact OD1-CG 3.54Å; D290-H349 IonicContact OD1-ND1 2.68Å; D290-H349 IonicContact OD1-NE2 3.54Å; D290-H349 PolarHBondContact OD1-NE2 3.43Å; D290-H349 VanDerWaalsContact OD1-NE2 3.12Å; D290-H349 IonicContact OD2-NE2 3.09Å
291	T	98.6	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.			trans	-163.7	142.6	-176.8	-152.8	0	0	0	0	112.6	S257 Q258 F297 P313 Q326 H327 V328 I336	S257-T291 WeakPolarHBondContact OG-CB 3.46Å; S257-T291 PolarHBondContact OG-OG1 3.19Å; Q258-T291 PolarHBondContact N-OG1 3.28Å; Q258-T291 CarbonylContact O-C 3.55Å; Q258-T291 WeakPolarHBondContact O-CA 3.34Å; T291-F297 HydrophobicContact CG2-CE1 4.47Å; T291-F297 HydrophobicContact CG2-CE2 4.11Å; T291-F297 HydrophobicContact CG2-CZ 3.52Å; T291-F297 WeakPolarHBondContact OG1-CZ 3.09Å; T291-P313 HydrophobicContact CG2-CG 4.41Å; T291-Q326 CarbonylContact C-O 3.5Å; T291-Q326 PolarHBondContact N-O 3.4Å; T291-H327 CarbonylContact O-C 3.53Å; T291-H327 WeakPolarHBondContact O-CA 3.08Å; T291-V328 HydrophobicContact CG2-CG1 4.23Å; T291-V328 HydrophobicContact CG2-CG2 4.48Å; T291-V328 WeakPolarHBondContact O-CG1 3.32Å; T291-V328 PolarHBondContact O-N 2.97Å; T291-I336 HydrophobicContact CG2-CD1 3.76Å
292	G	98.3	Very high	97.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-82.7	161.7	152.9	0	0	0	0	0	110.4	Q258 C294 Q326	Q258-G292 PolarHBondContact O-N 3.3Å; G292-C294 PolarHBondContact O-N 3.25Å; G292-Q326 VanDerWaalsContact N-C 3.29Å; G292-Q326 PolarHBondContact N-O 2.91Å; G292-Q326 VanDerWaalsContact N-O 3.15Å
293	Y	98.3	Very high	97.5	Very high	52 Å²	52	20 Å²	20	20%	0.204	9%	0.089	C	C	.	.			trans	-66.1	133.1	178.4	-176.4	-99.4	0	0	0	111.4	T78 Q258 F297 Q335 I336 D339	T78-Y293 PolarHBondContact OG1-O 3.17Å; Q258-Y293 PolarHBondContact NE2-O 2.91Å; Y293-F297 HydrophobicContact CD2-CD2 4.27Å; Y293-F297 HydrophobicContact CE2-CD2 4.36Å; Y293-Q335 HydrophobicContact CD2-CB 4.46Å; Y293-Q335 HydrophobicContact CD2-CG 4.31Å; Y293-Q335 HydrophobicContact CE2-CB 4.02Å; Y293-Q335 HydrophobicContact CE2-CG 3.47Å; Y293-Q335 VanDerWaalsContact CE2-CG 3.47Å; Y293-I336 HydrophobicContact CD2-CG1 3.85Å; Y293-I336 HydrophobicContact CE2-CG1 4.22Å; Y293-D339 VanDerWaalsContact CE2-OD2 3.27Å; Y293-D339 WeakPolarHBondContact CE2-OD2 3.35Å; Y293-D339 VanDerWaalsContact CZ-OD2 3.3Å; Y293-D339 PolarHBondContact OH-OD2 3.44Å
294	C	97.4	Very high	97.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.086	C	C	.	.			trans	-147	158.2	175.7	70.9	0	0	0	0	112.5	W76 Q258 G292 S296 F297	W76-C294 HydrophobicContact CD2-CB 3.69Å; W76-C294 HydrophobicContact CE3-CB 3.9Å; W76-C294 HydrophobicContact CG-CB 3.97Å; W76-C294 HydrophobicContact CZ3-CB 4.46Å; Q258-C294 HydrophobicContact CB-CB 3.81Å; G292-C294 PolarHBondContact O-N 3.25Å; C294-S296 PolarHBondContact O-N 3.46Å; C294-F297 WeakPolarHBondContact O-CD2 3.12Å; C294-F297 PolarHBondContact O-N 3.27Å
295	P	95.9	Very high	97.4	Very high	57 Å²	57	17.6 Å²	17.6	37%	0.37	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.9	179.4	-26.8	35.3	0	0	0	115.4	F297 Q298	P295-F297 PolarHBondContact O-N 3.46Å; P295-F297 VanDerWaalsContact O-N 3.13Å; P295-Q298 WeakPolarHBondContact O-CB 3.37Å; P295-Q298 PolarHBondContact O-N 3.42Å
296	S	96.4	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.6	-23.2	-176.3	-163.5	0	0	0	0	113.5	P256 C294 Q298 E299 I300	P256-S296 VanDerWaalsContact CB-OG 3.31Å; P256-S296 WeakPolarHBondContact CB-OG 3.34Å; P256-S296 VanDerWaalsContact CG-OG 3.31Å; P256-S296 WeakPolarHBondContact CG-OG 3.38Å; C294-S296 PolarHBondContact O-N 3.46Å; S296-Q298 PolarHBondContact O-N 2.81Å; S296-E299 WeakPolarHBondContact O-CB 3.48Å; S296-E299 PolarHBondContact O-N 3.17Å; S296-E299 VanDerWaalsContact O-N 3.14Å; S296-I300 WeakPolarHBondContact O-CD1 3.21Å; S296-I300 VanDerWaalsContact O-CG1 3.22Å; S296-I300 WeakPolarHBondContact O-CG1 3.15Å; S296-I300 PolarHBondContact O-N 3.1Å
297	F	98.3	Very high	97.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-32.9	175.3	-60.4	-58.9	0	0	0	112.5	F286 T291 Y293 C294 P295 I300 G301 I336 D339 L340	F286-F297 HydrophobicContact CE1-CD1 4.47Å; F286-F297 HydrophobicContact CE1-CE1 4.39Å; F286-F297 HydrophobicContact CZ-CD1 4.15Å; F286-F297 HydrophobicContact CZ-CE1 4.08Å; T291-F297 HydrophobicContact CG2-CE1 4.47Å; T291-F297 HydrophobicContact CG2-CE2 4.11Å; T291-F297 HydrophobicContact CG2-CZ 3.52Å; T291-F297 WeakPolarHBondContact OG1-CZ 3.09Å; Y293-F297 HydrophobicContact CD2-CD2 4.27Å; Y293-F297 HydrophobicContact CE2-CD2 4.36Å; C294-F297 WeakPolarHBondContact O-CD2 3.12Å; C294-F297 PolarHBondContact O-N 3.27Å; P295-F297 PolarHBondContact O-N 3.46Å; P295-F297 VanDerWaalsContact O-N 3.13Å; F297-I300 HydrophobicContact CD1-CD1 4.26Å; F297-G301 PolarHBondContact O-N 2.72Å; F297-I336 HydrophobicContact CB-CG2 4.5Å; F297-I336 HydrophobicContact CD1-CG2 3.92Å; F297-I336 HydrophobicContact CD2-CB 4.49Å; F297-I336 HydrophobicContact CD2-CD1 3.85Å; F297-I336 HydrophobicContact CD2-CG1 3.56Å; F297-I336 HydrophobicContact CD2-CG2 4.4Å; F297-I336 HydrophobicContact CE1-CD1 4.33Å; F297-I336 HydrophobicContact CE1-CG2 4.27Å; F297-I336 HydrophobicContact CE2-CD1 3.43Å; F297-I336 VanDerWaalsContact CE2-CD1 3.43Å; F297-I336 HydrophobicContact CE2-CG1 3.72Å; F297-I336 HydrophobicContact CG-CB 4.49Å; F297-I336 HydrophobicContact CG-CD1 4.45Å; F297-I336 HydrophobicContact CG-CG1 4.01Å; F297-I336 HydrophobicContact CG-CG2 4Å; F297-I336 HydrophobicContact CZ-CD1 3.72Å; F297-I336 HydrophobicContact CZ-CG1 4.31Å; F297-D339 HydrophobicContact CB-CB 3.96Å; F297-L340 HydrophobicContact CD1-CD2 4.43Å
298	Q	96.9	Very high	97.2	Very high	88 Å²	88	21.3 Å²	21.3	41%	0.411	11%	0.107	S	C	.	.	H	α-helix	trans	-72.3	-36.1	173.2	-65.6	-179.6	-11.7	0	0	111.8	P295 S296 R302 D339	P295-Q298 WeakPolarHBondContact O-CB 3.37Å; P295-Q298 PolarHBondContact O-N 3.42Å; S296-Q298 PolarHBondContact O-N 2.81Å; Q298-R302 WeakPolarHBondContact O-CB 3.41Å; Q298-R302 VanDerWaalsContact O-CG 3.25Å; Q298-R302 WeakPolarHBondContact O-CG 3.45Å; Q298-R302 PolarHBondContact O-N 3.23Å; Q298-R302 PolarHBondContact O-NE 3.46Å; Q298-D339 HydrophobicContact CG-CB 3.65Å; Q298-D339 WeakPolarHBondContact CG-OD1 3.23Å; Q298-D339 PolarHBondContact NE2-OD1 3.26Å
299	E	96.4	Very high	97.2	Very high	22 Å²	22	21.3 Å²	21.3	10%	0.103	11%	0.107	C	C	.	.	H	α-helix	trans	-62	-47.2	172.6	-61.8	175.5	-159.9	0	0	110.5	T62 W239 S296 R302 R303	T62-E299 WeakPolarHBondContact CB-OE2 3.2Å; T62-E299 PolarHBondContact N-OE2 3.13Å; T62-E299 PolarHBondContact OG1-OE1 3.39Å; T62-E299 PolarHBondContact OG1-OE2 3.09Å; W239-E299 HydrophobicContact CH2-CB 4.03Å; W239-E299 HydrophobicContact CZ2-CB 4.47Å; S296-E299 WeakPolarHBondContact O-CB 3.48Å; S296-E299 PolarHBondContact O-N 3.17Å; S296-E299 VanDerWaalsContact O-N 3.14Å; E299-R302 PolarHBondContact O-N 3.24Å; E299-R303 VanDerWaalsContact O-CB 3.22Å; E299-R303 WeakPolarHBondContact O-CB 3.13Å; E299-R303 PolarHBondContact O-N 2.81Å
300	I	98	Very high	97.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-49.3	177.2	-66.3	162	0	0	0	110.4	W239 T255 F286 S296 F297 R302 R303 F304 F307 L340	W239-I300 HydrophobicContact CH2-CG1 3.68Å; W239-I300 HydrophobicContact CZ3-CG1 3.84Å; T255-I300 HydrophobicContact CG2-CD1 4.5Å; T255-I300 HydrophobicContact CG2-CG1 4.22Å; F286-I300 HydrophobicContact CD2-CG2 4.03Å; F286-I300 HydrophobicContact CE2-CD1 3.99Å; F286-I300 HydrophobicContact CE2-CG2 3.77Å; F286-I300 HydrophobicContact CZ-CD1 4.17Å; S296-I300 WeakPolarHBondContact O-CD1 3.21Å; S296-I300 VanDerWaalsContact O-CG1 3.22Å; S296-I300 WeakPolarHBondContact O-CG1 3.15Å; S296-I300 PolarHBondContact O-N 3.1Å; F297-I300 HydrophobicContact CD1-CD1 4.26Å; I300-R302 PolarHBondContact O-N 3.15Å; I300-R303 PolarHBondContact O-N 2.84Å; I300-F304 HydrophobicContact CG2-CD2 4.28Å; I300-F304 PolarHBondContact O-N 2.98Å; I300-F307 HydrophobicContact CG2-CE2 3.91Å; I300-F307 HydrophobicContact CG2-CZ 4.03Å; I300-L340 HydrophobicContact CB-CD2 4Å; I300-L340 HydrophobicContact CG2-CD2 3.5Å
301	G	97.3	Very high	97.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-39.1	178.6	0	0	0	0	0	113.5	F297 G305 D339 Q341	F297-G301 PolarHBondContact O-N 2.72Å; G301-G305 WeakPolarHBondContact O-CA 3.5Å; G301-G305 PolarHBondContact O-N 3.34Å; G301-D339 WeakPolarHBondContact CA-O 3.45Å; G301-Q341 PolarHBondContact O-NE2 3.07Å
302	R	95.6	Very high	97.2	Very high	103 Å²	103	21.2 Å²	21.2	39%	0.389	11%	0.107	S	C	.	.	H	α-helix	trans	-67.4	-37.2	174.6	-75.2	-174.9	-64.7	129.6	-2.2	112.7	E58 Q298 E299 I300	E58-R302 VanDerWaalsContact CD-NH1 3.34Å; E58-R302 IonicContact OE1-NH1 3.72Å; E58-R302 PolarHBondContact OE1-NH1 3.41Å; E58-R302 IonicContact OE2-CZ 2.66Å; E58-R302 IonicContact OE2-NH1 3.59Å; E58-R302 PolarHBondContact OE2-NH1 3.41Å; E58-R302 IonicContact OE2-NH2 3.14Å; Q298-R302 WeakPolarHBondContact O-CB 3.41Å; Q298-R302 VanDerWaalsContact O-CG 3.25Å; Q298-R302 WeakPolarHBondContact O-CG 3.45Å; Q298-R302 PolarHBondContact O-N 3.23Å; Q298-R302 PolarHBondContact O-NE 3.46Å; E299-R302 PolarHBondContact O-N 3.24Å; I300-R302 PolarHBondContact O-N 3.15Å
303	R	95.1	Very high	97.2	Very high	29 Å²	29	21.3 Å²	21.3	11%	0.109	11%	0.107	C	C	.	.	H	α-helix	trans	-78.5	-46.8	-176.2	-170.6	166.2	-177.5	170.4	-2.6	112.3	Y55 R56 E299 I300	Y55-R303 WeakPolarHBondContact CB-O 3.29Å; Y55-R303 HydrophobicContact CD2-CG 4.25Å; R56-R303 WeakPolarHBondContact O-CG 3.47Å; E299-R303 VanDerWaalsContact O-CB 3.22Å; E299-R303 WeakPolarHBondContact O-CB 3.13Å; E299-R303 PolarHBondContact O-N 2.81Å; I300-R303 PolarHBondContact O-N 2.84Å
304	F	96.5	Very high	97.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-120.4	-10.9	-168.1	-57.6	-55.2	0	0	0	114.4	Y55 W239 V253 T255 L279 R284 I300 F307	Y55-F304 HydrophobicContact CD1-CD1 4.21Å; Y55-F304 HydrophobicContact CD1-CE1 4.06Å; Y55-F304 HydrophobicContact CD2-CD1 4Å; Y55-F304 AromaticContact CD2-CE1 3.59Å; Y55-F304 HydrophobicContact CD2-CE1 3.59Å; Y55-F304 HydrophobicContact CE1-CE1 4.04Å; Y55-F304 HydrophobicContact CE2-CD1 4.45Å; Y55-F304 AromaticContact CE2-CE1 3.62Å; Y55-F304 HydrophobicContact CE2-CE1 3.62Å; Y55-F304 HydrophobicContact CE2-CZ 4.42Å; Y55-F304 AromaticContact CG-CD1 3.9Å; Y55-F304 HydrophobicContact CG-CD1 3.9Å; Y55-F304 AromaticContact CG-CE1 3.85Å; Y55-F304 HydrophobicContact CG-CE1 3.85Å; Y55-F304 AromaticContact CZ-CE1 3.84Å; W239-F304 AromaticContact CE3-CE2 3.97Å; W239-F304 HydrophobicContact CE3-CE2 3.97Å; W239-F304 HydrophobicContact CE3-CZ 4.45Å; W239-F304 AromaticContact CZ3-CE2 3.87Å; W239-F304 HydrophobicContact CZ3-CE2 3.87Å; V253-F304 HydrophobicContact CB-CZ 4.39Å; V253-F304 HydrophobicContact CG1-CE2 4.07Å; V253-F304 HydrophobicContact CG1-CZ 3.82Å; V253-F304 HydrophobicContact CG2-CE1 4.37Å; V253-F304 HydrophobicContact CG2-CZ 4.2Å; T255-F304 HydrophobicContact CG2-CD2 4.37Å; T255-F304 HydrophobicContact CG2-CE2 3.9Å; L279-F304 HydrophobicContact CD1-CD1 3.53Å; L279-F304 HydrophobicContact CD1-CE1 3.86Å; L279-F304 HydrophobicContact CD1-CG 4.25Å; L279-F304 HydrophobicContact CD2-CB 4.01Å; L279-F304 HydrophobicContact CD2-CD1 4.37Å; L279-F304 HydrophobicContact CD2-CG 4.36Å; R284-F304 VanDerWaalsContact CD-O 3.25Å; R284-F304 WeakPolarHBondContact CD-O 3.37Å; R284-F304 PolarHBondContact NH1-O 3.05Å; I300-F304 HydrophobicContact CG2-CD2 4.28Å; I300-F304 PolarHBondContact O-N 2.98Å; F304-F307 HydrophobicContact CB-CE1 4.46Å; F304-F307 HydrophobicContact CB-CE2 3.93Å; F304-F307 HydrophobicContact CB-CZ 3.55Å
305	G	94.5	Very high	97.2	Very high	15 Å²	15	18.9 Å²	18.9	16%	0.155	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-72	170.2	177.9	0	0	0	0	0	113.6	R284 G301	R284-G305 PolarHBondContact NH1-O 3.14Å; R284-G305 VanDerWaalsContact NH1-O 3.15Å; G301-G305 WeakPolarHBondContact O-CA 3.5Å; G301-G305 PolarHBondContact O-N 3.34Å
306	P	97.3	Very high	97.2	Very high	66 Å²	66	16.4 Å²	16.4	43%	0.429	8%	0.082	S	C	.	.	P	Polyproline II helix	cis	-71.4	145.9	-6.1	30.6	-35.1	0	0	0	112	Q341	P306-Q341 WeakPolarHBondContact CA-O 3.28Å; P306-Q341 HydrophobicContact CB-CB 4.19Å; P306-Q341 VanDerWaalsContact CB-O 3.25Å; P306-Q341 WeakPolarHBondContact CB-O 3.48Å
307	F	98	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.1	173.2	-73.8	-91.5	0	0	0	110.7	L279 R284 F286 I300 F304 L340 Q341 A342 K343	L279-F307 HydrophobicContact CD2-CE1 4.18Å; R284-F307 HydrophobicContact CB-CD1 3.73Å; R284-F307 HydrophobicContact CB-CE1 4.27Å; R284-F307 HydrophobicContact CB-CG 4.41Å; F286-F307 HydrophobicContact CB-CD1 3.73Å; F286-F307 HydrophobicContact CB-CD2 4.49Å; F286-F307 HydrophobicContact CB-CE1 3.86Å; F286-F307 HydrophobicContact CB-CG 4.06Å; F286-F307 HydrophobicContact CB-CZ 4.29Å; F286-F307 HydrophobicContact CD2-CE1 4.4Å; F286-F307 HydrophobicContact CD2-CZ 4.18Å; I300-F307 HydrophobicContact CG2-CE2 3.91Å; I300-F307 HydrophobicContact CG2-CZ 4.03Å; F304-F307 HydrophobicContact CB-CE1 4.46Å; F304-F307 HydrophobicContact CB-CE2 3.93Å; F304-F307 HydrophobicContact CB-CZ 3.55Å; F307-L340 HydrophobicContact CD2-CB 4.32Å; F307-L340 WeakPolarHBondContact CD2-O 3.37Å; F307-L340 HydrophobicContact CE2-CD2 4.33Å; F307-Q341 PolarHBondContact N-O 3.47Å; F307-A342 HydrophobicContact CB-CB 4.38Å; F307-A342 CarbonylContact O-C 3.46Å; F307-A342 WeakPolarHBondContact O-CA 3.27Å; F307-K343 PolarHBondContact O-N 3.26Å
308	D	97.4	Very high	97	Very high	12 Å²	12	18.7 Å²	18.7	6%	0.064	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-39.2	175.4	-68.3	-72.8	0	0	0	110.9	M131 H283 R284 K343 Q344 M393	M131-D308 HydrophobicContact CE-CB 3.41Å; M131-D308 VanDerWaalsContact CE-CB 3.41Å; H283-D308 VanDerWaalsContact CA-OD2 3.23Å; H283-D308 WeakPolarHBondContact CA-OD2 3.28Å; R284-D308 PolarHBondContact N-OD2 3.45Å; R284-D308 WeakPolarHBondContact O-CB 3.47Å; R284-D308 PolarHBondContact O-N 3.48Å; D308-K343 IonicContact OD1-NZ 3.55Å; D308-K343 PolarHBondContact OD1-NZ 3.36Å; D308-Q344 PolarHBondContact O-N 3.14Å; D308-M393 HydrophobicContact CB-CE 3.79Å
309	L	97.9	Very high	96.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	141	177	-175	72	0	0	0	111.6	M131 V133 R284 F285 F286 Q344 H391	M131-L309 HydrophobicContact CE-CB 3.28Å; M131-L309 HydrophobicContact CE-CD2 4.29Å; M131-L309 HydrophobicContact CE-CG 4.43Å; M131-L309 HydrophobicContact SD-CB 3.99Å; M131-L309 HydrophobicContact SD-CD2 4.49Å; V133-L309 HydrophobicContact CB-CD2 3.8Å; V133-L309 HydrophobicContact CG1-CD2 4.48Å; V133-L309 HydrophobicContact CG2-CD2 3.12Å; R284-L309 PolarHBondContact O-N 2.84Å; F285-L309 CarbonylContact C-O 3.56Å; F285-L309 WeakPolarHBondContact CA-O 3.27Å; F285-L309 HydrophobicContact CD2-CB 4.34Å; F285-L309 HydrophobicContact CD2-CD2 4.33Å; F285-L309 HydrophobicContact CD2-CG 4.4Å; F285-L309 WeakPolarHBondContact CD2-O 3.45Å; F285-L309 HydrophobicContact CE2-CD2 4.5Å; F286-L309 PolarHBondContact N-O 3.5Å; L309-Q344 CarbonylContact C-O 3.59Å; L309-Q344 VanDerWaalsContact CA-O 3.26Å; L309-Q344 WeakPolarHBondContact CA-O 3.21Å; L309-Q344 HydrophobicContact CD1-CB 3.98Å; L309-H391 HydrophobicContact CD1-CB 4.41Å; L309-H391 HydrophobicContact CD2-CB 4.4Å
310	A	98.6	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.1	170.5	0	0	0	0	0	112.1	F286 I312 L340 A342 Q344 S345 V346	F286-A310 HydrophobicContact CB-CB 3.93Å; F286-A310 HydrophobicContact CD1-CB 4.14Å; F286-A310 CarbonylContact O-C 3.6Å; F286-A310 VanDerWaalsContact O-CA 3.24Å; F286-A310 WeakPolarHBondContact O-CA 3.29Å; A310-I312 HydrophobicContact CB-CD1 4Å; A310-I312 HydrophobicContact CB-CG1 3.97Å; A310-L340 HydrophobicContact CB-CD1 4.02Å; A310-A342 HydrophobicContact CB-CB 3.96Å; A310-Q344 PolarHBondContact N-O 3Å; A310-S345 CarbonylContact O-C 3.59Å; A310-S345 WeakPolarHBondContact O-CA 3.46Å; A310-S345 WeakPolarHBondContact O-CB 3.18Å; A310-S345 PolarHBondContact O-OG 3.49Å; A310-V346 PolarHBondContact O-N 2.89Å
311	A	98.8	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	114.3	168.7	0	0	0	0	0	109.4	V141 F285 F286 F287 A288 V346 I348	V141-A311 HydrophobicContact CG2-CB 4.34Å; F285-A311 HydrophobicContact CE2-CB 3.96Å; F285-A311 HydrophobicContact CZ-CB 3.93Å; F286-A311 PolarHBondContact O-N 3.05Å; F287-A311 HydrophobicContact CD2-CB 4.02Å; A288-A311 WeakPolarHBondContact CB-O 3.36Å; A288-A311 PolarHBondContact N-O 3.25Å; A311-V346 WeakPolarHBondContact CA-O 3.45Å; A311-V346 HydrophobicContact CB-CG1 3.68Å; A311-I348 HydrophobicContact CB-CD1 4.18Å; A311-I348 HydrophobicContact CB-CG2 4.09Å
312	I	98.9	Very high	96.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.2	-169.3	-54.2	174.6	0	0	0	110.1	A310 A333 I336 H337 L340 S345 V346 A347 I348	A310-I312 HydrophobicContact CB-CD1 4Å; A310-I312 HydrophobicContact CB-CG1 3.97Å; I312-A333 HydrophobicContact CG2-CB 3.74Å; I312-I336 HydrophobicContact CD1-CB 4.34Å; I312-I336 HydrophobicContact CD1-CG2 3.9Å; I312-I336 HydrophobicContact CG1-CG2 4.32Å; I312-I336 HydrophobicContact CG2-CB 4.33Å; I312-I336 HydrophobicContact CG2-CD1 4.41Å; I312-I336 HydrophobicContact CG2-CG2 4.26Å; I312-H337 HydrophobicContact CD1-CB 3.88Å; I312-L340 HydrophobicContact CD1-CD1 4.37Å; I312-S345 WeakPolarHBondContact CD1-OG 3.44Å; I312-V346 PolarHBondContact N-O 3.35Å; I312-A347 WeakPolarHBondContact O-CA 3.28Å; I312-I348 WeakPolarHBondContact O-CG1 3.14Å; I312-I348 PolarHBondContact O-N 3.46Å
313	P	98.6	Very high	96.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	144.2	178.9	30.1	-37.8	0	0	0	111.5	G289 T291 V328 A333 I348 H349	G289-P313 WeakPolarHBondContact O-CD 3.43Å; G289-P313 WeakPolarHBondContact O-CG 3.42Å; T291-P313 HydrophobicContact CG2-CG 4.41Å; P313-V328 HydrophobicContact CG-CG2 3.83Å; P313-V328 WeakPolarHBondContact O-CG2 3.43Å; P313-A333 WeakPolarHBondContact O-CB 3.22Å; P313-I348 WeakPolarHBondContact CA-O 3.39Å; P313-I348 HydrophobicContact CB-CG1 4.37Å; P313-H349 HydrophobicContact CB-CB 3.54Å
314	I	98.4	Very high	96.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.			trans	-129.6	-5.1	175	66.8	163.2	0	0	0	113.8	Y317 P330 A333 A347 I348 W350 P363 L367 T383	I314-Y317 WeakPolarHBondContact O-CD1 3.23Å; I314-Y317 WeakPolarHBondContact O-CE1 3.37Å; I314-P330 HydrophobicContact CB-CG 4.31Å; I314-A333 HydrophobicContact CG2-CB 3.88Å; I314-A347 HydrophobicContact CD1-CB 3.61Å; I314-A347 HydrophobicContact CG1-CB 3.95Å; I314-A347 HydrophobicContact CG2-CB 4.03Å; I314-I348 PolarHBondContact N-O 3.34Å; I314-W350 HydrophobicContact CD1-CB 4.46Å; I314-W350 HydrophobicContact CD1-CD2 4.2Å; I314-W350 HydrophobicContact CD1-CG 3.83Å; I314-W350 HydrophobicContact CG1-CB 3.94Å; I314-W350 VanDerWaalsContact CG1-CD1 3.46Å; I314-W350 HydrophobicContact CG1-CG 3.72Å; I314-P363 HydrophobicContact CB-CB 4.37Å; I314-P363 HydrophobicContact CD1-CB 3.6Å; I314-P363 HydrophobicContact CG1-CB 3.79Å; I314-P363 WeakPolarHBondContact O-CB 3.18Å; I314-L367 HydrophobicContact CD1-CD2 4.25Å; I314-L367 HydrophobicContact CG2-CD1 4.39Å; I314-L367 HydrophobicContact CG2-CD2 4.43Å; I314-T383 HydrophobicContact CD1-CG2 4.29Å
315	G	96.8	Very high	96.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	-112.4	175.4	-175.8	0	0	0	0	0	113.5	H349	G315-H349 PolarHBondContact O-ND1 3.5Å
316	A	96	Very high	96.3	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.041	11%	0.11	C	C	.	.			trans	67	31.7	179.2	0	0	0	0	0	115.2	H327 H349 L355 A356 D358	A316-H327 WeakPolarHBondContact O-CB 3.5Å; A316-H349 VanDerWaalsContact CB-CE1 3.45Å; A316-H349 WeakPolarHBondContact CB-CE1 3.38Å; A316-L355 HydrophobicContact CB-CB 4.2Å; A316-A356 HydrophobicContact CB-CB 3.98Å; A316-D358 VanDerWaalsContact CA-OD1 3.29Å; A316-D358 WeakPolarHBondContact CA-OD1 3.03Å; A316-D358 PolarHBondContact N-OD1 2.96Å; A316-D358 PolarHBondContact N-OD2 3.03Å
317	Y	96.1	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.			trans	-99.5	-8	-172.9	55.8	-99.8	0	0	0	114.7	I314 R320 M323 V328 D329 P330 D358 E362 P363	I314-Y317 WeakPolarHBondContact O-CD1 3.23Å; I314-Y317 WeakPolarHBondContact O-CE1 3.37Å; Y317-R320 WeakPolarHBondContact O-CD 3.45Å; Y317-R320 PolarHBondContact O-NH1 3.38Å; Y317-M323 WeakPolarHBondContact O-CB 3.49Å; Y317-V328 WeakPolarHBondContact CB-O 3.45Å; Y317-D329 HydrophobicContact CD1-CB 4.35Å; Y317-D329 HydrophobicContact CD2-CB 4.06Å; Y317-D329 HydrophobicContact CG-CB 3.87Å; Y317-P330 HydrophobicContact CE1-CG 3.96Å; Y317-D358 HydrophobicContact CE1-CB 4.16Å; Y317-D358 HydrophobicContact CE2-CB 3.92Å; Y317-D358 PolarHBondContact N-OD1 3.41Å; Y317-E362 WeakPolarHBondContact CE2-OE1 3.13Å; Y317-E362 WeakPolarHBondContact OH-CG 3.33Å; Y317-E362 PolarHBondContact OH-OE1 3.17Å; Y317-P363 HydrophobicContact CE1-CB 4.18Å; Y317-P363 HydrophobicContact CE1-CG 3.94Å
318	L	94.5	Very high	96.3	Very high	48 Å²	48	18.9 Å²	18.9	25%	0.251	9%	0.094	S	C	.	.			trans	-106.4	140.4	179.7	-70.7	-176.1	0	0	0	114	R320 A356 Y357 D358	L318-R320 HydrophobicContact CD2-CG 3.92Å; L318-A356 WeakPolarHBondContact O-CB 3.23Å; L318-Y357 PolarHBondContact O-N 2.63Å; L318-D358 HydrophobicContact CB-CB 4.34Å; L318-D358 HydrophobicContact CD1-CB 4.29Å; L318-D358 HydrophobicContact CG-CB 4.3Å
319	P	94	Very high	96.4	Very high	24 Å²	24	19.2 Å²	19.2	16%	0.156	10%	0.096	C	C	.	.	S	Bend	cis	-81.3	145.4	0.3	32.3	-34.3	0	0	0	112.7	F90 D321 V322 M323	F90-P319 VanDerWaalsContact CD2-CD 3.48Å; F90-P319 HydrophobicContact CD2-CG 3.91Å; F90-P319 VanDerWaalsContact CE2-CD 3.46Å; F90-P319 HydrophobicContact CE2-CG 4.38Å; P319-D321 VanDerWaalsContact C-N 3.32Å; P319-D321 PolarHBondContact O-N 2.91Å; P319-V322 HydrophobicContact CG-CB 4.02Å; P319-V322 HydrophobicContact CG-CG2 3.81Å; P319-V322 PolarHBondContact O-N 2.65Å; P319-V322 VanDerWaalsContact O-N 3.07Å; P319-M323 PolarHBondContact O-N 3.35Å
320	R	93.8	Very high	96.4	Very high	50 Å²	50	19.2 Å²	19.2	19%	0.189	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-32.9	-171.5	-66.2	-56.1	-72.8	137.4	-1.7	114	Y317 L318 V322 K324 H327 D329 E332	Y317-R320 WeakPolarHBondContact O-CD 3.45Å; Y317-R320 PolarHBondContact O-NH1 3.38Å; L318-R320 HydrophobicContact CD2-CG 3.92Å; R320-V322 PolarHBondContact O-N 3.44Å; R320-K324 VanDerWaalsContact NH1-CA 3.34Å; R320-K324 WeakPolarHBondContact O-CB 3.29Å; R320-K324 PolarHBondContact O-N 2.93Å; R320-H327 PolarHBondContact NH1-O 3.01Å; R320-D329 IonicContact CZ-OD2 3.58Å; R320-D329 VanDerWaalsContact CZ-OD2 3.31Å; R320-D329 IonicContact NE-OD2 3.21Å; R320-D329 PolarHBondContact NE-OD2 2.7Å; R320-D329 IonicContact NH2-OD2 3.14Å; R320-D329 PolarHBondContact NH2-OD2 3.15Å; R320-E332 IonicContact CZ-OE2 2.65Å; R320-E332 IonicContact NH2-OE1 3.2Å; R320-E332 PolarHBondContact NH2-OE1 3.49Å; R320-E332 IonicContact NH2-OE2 3.25Å; R320-E332 PolarHBondContact NH2-OE2 3.12Å
321	D	91.4	Very high	96.4	Very high	86 Å²	86	21.7 Å²	21.7	46%	0.46	11%	0.108	S	C	.	.	H	α-helix	trans	-67.8	-19.5	178.5	65.2	-30.2	0	0	0	113.2	R89 P319	R89-D321 IonicContact CZ-OD2 3.27Å; R89-D321 IonicContact NH1-OD2 3.82Å; R89-D321 PolarHBondContact NH1-OD2 2.97Å; R89-D321 VanDerWaalsContact NH2-CG 3.28Å; R89-D321 IonicContact NH2-OD1 3.93Å; R89-D321 PolarHBondContact NH2-OD1 3.09Å; R89-D321 IonicContact NH2-OD2 3.51Å; R89-D321 PolarHBondContact NH2-OD2 2.81Å; P319-D321 VanDerWaalsContact C-N 3.32Å; P319-D321 PolarHBondContact O-N 2.91Å
322	V	92.3	Very high	96.4	Very high	3 Å²	3	23 Å²	23	2%	0.018	11%	0.114	C	C	.	.	H	α-helix	trans	-98.9	-42.2	174.7	-178.7	0	0	0	0	111.4	P82 M86 L87 F90 P319 R320 Q326	P82-V322 HydrophobicContact CB-CG1 4.1Å; P82-V322 HydrophobicContact CG-CB 4.43Å; P82-V322 HydrophobicContact CG-CG1 3.76Å; P82-V322 WeakPolarHBondContact CG-O 3.24Å; M86-V322 HydrophobicContact CB-CG2 4.38Å; L87-V322 HydrophobicContact CD2-CG1 4.42Å; F90-V322 HydrophobicContact CB-CG1 4.44Å; F90-V322 HydrophobicContact CB-CG2 4.29Å; F90-V322 HydrophobicContact CG-CG1 4.31Å; P319-V322 HydrophobicContact CG-CB 4.02Å; P319-V322 HydrophobicContact CG-CG2 3.81Å; P319-V322 PolarHBondContact O-N 2.65Å; P319-V322 VanDerWaalsContact O-N 3.07Å; R320-V322 PolarHBondContact O-N 3.44Å; V322-Q326 PolarHBondContact O-NE2 2.77Å
323	M	95.1	Very high	96.4	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.059	11%	0.114	C	C	.	.	H	α-helix	trans	-92.1	-24	-169.4	-63.1	-51.2	-168.3	0	0	114.1	F90 Y317 P319 G325 Q326 H327 A356	F90-M323 HydrophobicContact CE1-CE 3.95Å; F90-M323 HydrophobicContact CE2-CE 3.97Å; F90-M323 HydrophobicContact CZ-CE 3.45Å; F90-M323 VanDerWaalsContact CZ-CE 3.45Å; Y317-M323 WeakPolarHBondContact O-CB 3.49Å; P319-M323 PolarHBondContact O-N 3.35Å; M323-G325 PolarHBondContact O-N 2.8Å; M323-Q326 WeakPolarHBondContact O-CG 3.35Å; M323-Q326 PolarHBondContact O-N 2.72Å; M323-H327 HydrophobicContact CB-CB 4.47Å; M323-H327 PolarHBondContact O-N 2.43Å; M323-A356 HydrophobicContact CE-CB 3.68Å
324	K	95.6	Very high	96.4	Very high	114 Å²	114	23.1 Å²	23.1	50%	0.496	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-31.4	-171.6	177.4	168.2	-175.3	165.3	0	115.3	R320 Q326 E332	R320-K324 VanDerWaalsContact NH1-CA 3.34Å; R320-K324 WeakPolarHBondContact O-CB 3.29Å; R320-K324 PolarHBondContact O-N 2.93Å; K324-Q326 PolarHBondContact O-N 3.23Å; K324-E332 VanDerWaalsContact CE-OE1 3.32Å; K324-E332 WeakPolarHBondContact CE-OE1 3.49Å; K324-E332 IonicContact NZ-OE1 3.97Å
325	G	95.8	Very high	96.4	Very high	6 Å²	6	25.4 Å²	25.4	6%	0.062	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.4	177.4	0	0	0	0	0	113.9	W79 Q258 M323	W79-G325 WeakPolarHBondContact CZ3-O 3.44Å; Q258-G325 PolarHBondContact NE2-O 3.22Å; M323-G325 PolarHBondContact O-N 2.8Å
326	Q	96.4	Very high	96.5	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-20.8	-164.7	51.8	-179.4	-28.9	0	0	113.8	W79 H259 T291 G292 V322 M323 K324	W79-Q326 HydrophobicContact CZ3-CB 4.22Å; H259-Q326 PolarHBondContact CE1-O 2.57Å; H259-Q326 PolarHBondContact ND1-O 3.22Å; H259-Q326 VanDerWaalsContact ND1-O 3.12Å; T291-Q326 CarbonylContact C-O 3.5Å; T291-Q326 PolarHBondContact N-O 3.4Å; G292-Q326 VanDerWaalsContact N-C 3.29Å; G292-Q326 PolarHBondContact N-O 2.91Å; G292-Q326 VanDerWaalsContact N-O 3.15Å; V322-Q326 PolarHBondContact O-NE2 2.77Å; M323-Q326 WeakPolarHBondContact O-CG 3.35Å; M323-Q326 PolarHBondContact O-N 2.72Å; K324-Q326 PolarHBondContact O-N 3.23Å
327	H	98.2	Very high	96.6	Very high	18 Å²	18	25.5 Å²	25.5	8%	0.083	12%	0.124	C	C	.	.			trans	-136.6	128.4	177.6	-65.3	-75.2	0	0	0	110.9	H259 D290 T291 A316 R320 M323 H349	H259-H327 AromaticContact CE1-CE1 3.85Å; H259-H327 AromaticContact CE1-NE2 3.89Å; D290-H327 IonicContact OD2-CE1 2.7Å; D290-H327 PolarHBondContact OD2-CE1 3.17Å; D290-H327 VanDerWaalsContact OD2-CE1 3.25Å; T291-H327 CarbonylContact O-C 3.53Å; T291-H327 WeakPolarHBondContact O-CA 3.08Å; A316-H327 WeakPolarHBondContact O-CB 3.5Å; R320-H327 PolarHBondContact NH1-O 3.01Å; M323-H327 HydrophobicContact CB-CB 4.47Å; M323-H327 PolarHBondContact O-N 2.43Å; H327-H349 AromaticContact CE1-CE1 3.6Å; H327-H349 AromaticContact ND1-CE1 3.83Å
328	V	98.5	Very high	96.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.139	C	C	.	.			trans	-69.5	146.7	168.9	-70.7	0	0	0	0	111.8	T291 P313 Y317 E332 A333 I336	T291-V328 HydrophobicContact CG2-CG1 4.23Å; T291-V328 HydrophobicContact CG2-CG2 4.48Å; T291-V328 WeakPolarHBondContact O-CG1 3.32Å; T291-V328 PolarHBondContact O-N 2.97Å; P313-V328 HydrophobicContact CG-CG2 3.83Å; P313-V328 WeakPolarHBondContact O-CG2 3.43Å; Y317-V328 WeakPolarHBondContact CB-O 3.45Å; V328-E332 WeakPolarHBondContact CA-OE2 3.21Å; V328-E332 HydrophobicContact CB-CB 3.7Å; V328-E332 HydrophobicContact CG1-CB 3.68Å; V328-A333 HydrophobicContact CG2-CB 4.38Å; V328-I336 HydrophobicContact CG1-CD1 3.71Å; V328-I336 HydrophobicContact CG2-CD1 4.39Å
329	D	98.5	Very high	96.9	Very high	19 Å²	19	27.2 Å²	27.2	10%	0.102	13%	0.132	C	C	.	.			trans	-86	172.3	160.8	55.1	25.4	0	0	0	110.7	Y317 R320 E331 E332 A333	Y317-D329 HydrophobicContact CD1-CB 4.35Å; Y317-D329 HydrophobicContact CD2-CB 4.06Å; Y317-D329 HydrophobicContact CG-CB 3.87Å; R320-D329 IonicContact CZ-OD2 3.58Å; R320-D329 VanDerWaalsContact CZ-OD2 3.31Å; R320-D329 IonicContact NE-OD2 3.21Å; R320-D329 PolarHBondContact NE-OD2 2.7Å; R320-D329 IonicContact NH2-OD2 3.14Å; R320-D329 PolarHBondContact NH2-OD2 3.15Å; D329-E331 PolarHBondContact O-N 3.27Å; D329-E332 PolarHBondContact O-N 3.21Å; D329-E332 WeakPolarHBondContact OD1-CB 3.44Å; D329-E332 VanDerWaalsContact OD1-CG 3.29Å; D329-E332 WeakPolarHBondContact OD1-CG 3.39Å; D329-E332 PolarHBondContact OD1-N 3.24Å; D329-A333 PolarHBondContact O-N 3.32Å
330	P	98.6	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-30.2	-177.7	-29.6	39.5	0	0	0	114.5	I314 Y317 A333 V334 R366 L367	I314-P330 HydrophobicContact CB-CG 4.31Å; Y317-P330 HydrophobicContact CE1-CG 3.96Å; P330-A333 WeakPolarHBondContact O-CB 3.42Å; P330-A333 PolarHBondContact O-N 2.67Å; P330-V334 WeakPolarHBondContact O-CG2 3.25Å; P330-V334 PolarHBondContact O-N 3.06Å; P330-R366 HydrophobicContact CB-CB 3.92Å; P330-R366 HydrophobicContact CG-CB 3.77Å; P330-L367 HydrophobicContact CB-CB 4.04Å
331	E	98.6	Very high	97.4	Very high	53 Å²	53	28.2 Å²	28.2	25%	0.248	14%	0.136	C	C	.	.	H	α-helix	trans	-68.6	-45.7	175.5	-63.9	79.5	169.7	0	0	111.6	D329 A333 V334 Q335 R366 A370	D329-E331 PolarHBondContact O-N 3.27Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 2.96Å; E331-V334 PolarHBondContact O-N 3.36Å; E331-Q335 PolarHBondContact O-N 2.77Å; E331-Q335 VanDerWaalsContact O-N 3.09Å; E331-R366 IonicContact OE1-CZ 3.12Å; E331-R366 VanDerWaalsContact OE1-CZ 3.32Å; E331-R366 IonicContact OE1-NE 3.72Å; E331-R366 PolarHBondContact OE1-NE 3.1Å; E331-R366 VanDerWaalsContact OE1-NE 3.12Å; E331-R366 IonicContact OE1-NH2 2.93Å; E331-R366 PolarHBondContact OE1-NH2 3.1Å; E331-R366 IonicContact OE2-CZ 3.74Å; E331-R366 VanDerWaalsContact OE2-CZ 3.29Å; E331-R366 IonicContact OE2-NE 3.75Å; E331-R366 IonicContact OE2-NH2 3.25Å; E331-R366 PolarHBondContact OE2-NH2 2.84Å; E331-A370 HydrophobicContact CB-CB 4.38Å; E331-A370 HydrophobicContact CG-CB 3.93Å
332	E	98.6	Very high	97.7	Very high	28 Å²	28	24.6 Å²	24.6	13%	0.131	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-33.5	172.5	-75.2	171.3	171.1	0	0	111.4	R320 K324 V328 D329 Q335 I336	R320-E332 IonicContact CZ-OE2 2.65Å; R320-E332 IonicContact NH2-OE1 3.2Å; R320-E332 PolarHBondContact NH2-OE1 3.49Å; R320-E332 IonicContact NH2-OE2 3.25Å; R320-E332 PolarHBondContact NH2-OE2 3.12Å; K324-E332 VanDerWaalsContact CE-OE1 3.32Å; K324-E332 WeakPolarHBondContact CE-OE1 3.49Å; K324-E332 IonicContact NZ-OE1 3.97Å; V328-E332 WeakPolarHBondContact CA-OE2 3.21Å; V328-E332 HydrophobicContact CB-CB 3.7Å; V328-E332 HydrophobicContact CG1-CB 3.68Å; D329-E332 PolarHBondContact O-N 3.21Å; D329-E332 WeakPolarHBondContact OD1-CB 3.44Å; D329-E332 VanDerWaalsContact OD1-CG 3.29Å; D329-E332 WeakPolarHBondContact OD1-CG 3.39Å; D329-E332 PolarHBondContact OD1-N 3.24Å; E332-Q335 WeakPolarHBondContact O-CB 3.4Å; E332-Q335 PolarHBondContact O-N 3.12Å; E332-Q335 VanDerWaalsContact O-N 3.15Å; E332-I336 WeakPolarHBondContact O-CG1 3.34Å; E332-I336 PolarHBondContact O-N 3.32Å
333	A	98.8	Very high	97.9	Very high	2 Å²	2	30 Å²	30	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-40.5	173.4	0	0	0	0	0	112.7	I312 P313 I314 V328 D329 P330 E331 Q335 I336 H337	I312-A333 HydrophobicContact CG2-CB 3.74Å; P313-A333 WeakPolarHBondContact O-CB 3.22Å; I314-A333 HydrophobicContact CG2-CB 3.88Å; V328-A333 HydrophobicContact CG2-CB 4.38Å; D329-A333 PolarHBondContact O-N 3.32Å; P330-A333 WeakPolarHBondContact O-CB 3.42Å; P330-A333 PolarHBondContact O-N 2.67Å; E331-A333 VanDerWaalsContact C-N 3.29Å; E331-A333 PolarHBondContact O-N 2.96Å; A333-Q335 VanDerWaalsContact C-N 3.3Å; A333-Q335 PolarHBondContact O-N 3.24Å; A333-I336 PolarHBondContact O-N 3.36Å; A333-H337 PolarHBondContact O-N 2.84Å
334	V	98.7	Very high	98	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-36.7	172.1	174.2	0	0	0	0	111.1	P330 E331 H337 Q338 L367 A370 L371 K374 L376	P330-V334 WeakPolarHBondContact O-CG2 3.25Å; P330-V334 PolarHBondContact O-N 3.06Å; E331-V334 PolarHBondContact O-N 3.36Å; V334-H337 WeakPolarHBondContact O-CB 3.31Å; V334-H337 PolarHBondContact O-N 2.93Å; V334-Q338 WeakPolarHBondContact O-CG 3.25Å; V334-Q338 PolarHBondContact O-N 2.93Å; V334-Q338 VanDerWaalsContact O-N 3.11Å; V334-L367 HydrophobicContact CG2-CD1 3.7Å; V334-A370 HydrophobicContact CB-CB 4.39Å; V334-A370 HydrophobicContact CG2-CB 3.76Å; V334-L371 HydrophobicContact CG1-CD2 4.2Å; V334-L371 HydrophobicContact CG2-CD2 3.83Å; V334-L371 HydrophobicContact CG2-CG 4.01Å; V334-K374 HydrophobicContact CG1-CB 4.32Å; V334-K374 HydrophobicContact CG1-CG 3.95Å; V334-L376 HydrophobicContact CG1-CD1 3.73Å
335	Q	98.6	Very high	98.1	Very high	49 Å²	49	26.4 Å²	26.4	23%	0.229	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-42.8	174.6	-171.9	60.6	58.4	0	0	111.6	Y293 E331 E332 A333 H337 Q338 D339	Y293-Q335 HydrophobicContact CD2-CB 4.46Å; Y293-Q335 HydrophobicContact CD2-CG 4.31Å; Y293-Q335 HydrophobicContact CE2-CB 4.02Å; Y293-Q335 HydrophobicContact CE2-CG 3.47Å; Y293-Q335 VanDerWaalsContact CE2-CG 3.47Å; E331-Q335 PolarHBondContact O-N 2.77Å; E331-Q335 VanDerWaalsContact O-N 3.09Å; E332-Q335 WeakPolarHBondContact O-CB 3.4Å; E332-Q335 PolarHBondContact O-N 3.12Å; E332-Q335 VanDerWaalsContact O-N 3.15Å; A333-Q335 VanDerWaalsContact C-N 3.3Å; A333-Q335 PolarHBondContact O-N 3.24Å; Q335-H337 VanDerWaalsContact C-N 3.34Å; Q335-H337 PolarHBondContact O-N 2.81Å; Q335-Q338 PolarHBondContact O-N 2.89Å; Q335-D339 PolarHBondContact NE2-OD1 2.88Å; Q335-D339 VanDerWaalsContact NE2-OD1 3.07Å; Q335-D339 WeakPolarHBondContact O-CB 3.29Å; Q335-D339 VanDerWaalsContact O-CG 3.3Å; Q335-D339 PolarHBondContact O-N 3.35Å
336	I	98.8	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.4	-46.2	173.6	-67	177.9	0	0	0	110.8	T291 Y293 F297 I312 V328 E332 A333 Q338 D339 L340	T291-I336 HydrophobicContact CG2-CD1 3.76Å; Y293-I336 HydrophobicContact CD2-CG1 3.85Å; Y293-I336 HydrophobicContact CE2-CG1 4.22Å; F297-I336 HydrophobicContact CB-CG2 4.5Å; F297-I336 HydrophobicContact CD1-CG2 3.92Å; F297-I336 HydrophobicContact CD2-CB 4.49Å; F297-I336 HydrophobicContact CD2-CD1 3.85Å; F297-I336 HydrophobicContact CD2-CG1 3.56Å; F297-I336 HydrophobicContact CD2-CG2 4.4Å; F297-I336 HydrophobicContact CE1-CD1 4.33Å; F297-I336 HydrophobicContact CE1-CG2 4.27Å; F297-I336 HydrophobicContact CE2-CD1 3.43Å; F297-I336 VanDerWaalsContact CE2-CD1 3.43Å; F297-I336 HydrophobicContact CE2-CG1 3.72Å; F297-I336 HydrophobicContact CG-CB 4.49Å; F297-I336 HydrophobicContact CG-CD1 4.45Å; F297-I336 HydrophobicContact CG-CG1 4.01Å; F297-I336 HydrophobicContact CG-CG2 4Å; F297-I336 HydrophobicContact CZ-CD1 3.72Å; F297-I336 HydrophobicContact CZ-CG1 4.31Å; I312-I336 HydrophobicContact CD1-CB 4.34Å; I312-I336 HydrophobicContact CD1-CG2 3.9Å; I312-I336 HydrophobicContact CG1-CG2 4.32Å; I312-I336 HydrophobicContact CG2-CB 4.33Å; I312-I336 HydrophobicContact CG2-CD1 4.41Å; I312-I336 HydrophobicContact CG2-CG2 4.26Å; V328-I336 HydrophobicContact CG1-CD1 3.71Å; V328-I336 HydrophobicContact CG2-CD1 4.39Å; E332-I336 WeakPolarHBondContact O-CG1 3.34Å; E332-I336 PolarHBondContact O-N 3.32Å; A333-I336 PolarHBondContact O-N 3.36Å; I336-Q338 VanDerWaalsContact C-N 3.28Å; I336-Q338 PolarHBondContact O-N 3.4Å; I336-D339 PolarHBondContact O-N 2.57Å; I336-L340 HydrophobicContact CG2-CD1 3.56Å; I336-L340 HydrophobicContact CG2-CG 4.07Å; I336-L340 WeakPolarHBondContact O-CB 3.33Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.38Å; I336-L340 PolarHBondContact O-N 2.69Å
337	H	98.7	Very high	98.3	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-53.2	-45.7	176.3	166.4	90	0	0	0	112	I312 A333 V334 Q335 Q341 A342 S345 S380	I312-H337 HydrophobicContact CD1-CB 3.88Å; A333-H337 PolarHBondContact O-N 2.84Å; V334-H337 WeakPolarHBondContact O-CB 3.31Å; V334-H337 PolarHBondContact O-N 2.93Å; Q335-H337 VanDerWaalsContact C-N 3.34Å; Q335-H337 PolarHBondContact O-N 2.81Å; H337-Q341 PolarHBondContact O-N 2.84Å; H337-A342 PolarHBondContact CE1-O 3.31Å; H337-A342 PolarHBondContact NE2-O 2.9Å; H337-A342 PolarHBondContact O-N 2.71Å; H337-A342 VanDerWaalsContact O-N 3.09Å; H337-S345 PolarHBondContact ND1-OG 3.11Å; H337-S380 PolarHBondContact CE1-O 3.24Å
338	Q	98.6	Very high	98.3	Very high	67 Å²	67	24.7 Å²	24.7	31%	0.313	12%	0.117	S	C	.	.	H	α-helix	trans	-67.7	-45.2	177.9	-66.6	-176.5	-57.1	0	0	112.4	V334 Q335 I336 L340 Q341 L376	V334-Q338 WeakPolarHBondContact O-CG 3.25Å; V334-Q338 PolarHBondContact O-N 2.93Å; V334-Q338 VanDerWaalsContact O-N 3.11Å; Q335-Q338 PolarHBondContact O-N 2.89Å; I336-Q338 VanDerWaalsContact C-N 3.28Å; I336-Q338 PolarHBondContact O-N 3.4Å; Q338-L340 VanDerWaalsContact C-N 3.31Å; Q338-L340 PolarHBondContact O-N 3.38Å; Q338-Q341 WeakPolarHBondContact O-CA 3.47Å; Q338-Q341 PolarHBondContact O-N 2.8Å; Q338-L376 HydrophobicContact CG-CD1 4.05Å
339	D	98.5	Very high	98.2	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-65.5	-35.2	-177.4	-72	-26.7	0	0	0	112.4	Y293 F297 Q298 G301 Q335 I336 Q341	Y293-D339 VanDerWaalsContact CE2-OD2 3.27Å; Y293-D339 WeakPolarHBondContact CE2-OD2 3.35Å; Y293-D339 VanDerWaalsContact CZ-OD2 3.3Å; Y293-D339 PolarHBondContact OH-OD2 3.44Å; F297-D339 HydrophobicContact CB-CB 3.96Å; Q298-D339 HydrophobicContact CG-CB 3.65Å; Q298-D339 WeakPolarHBondContact CG-OD1 3.23Å; Q298-D339 PolarHBondContact NE2-OD1 3.26Å; G301-D339 WeakPolarHBondContact CA-O 3.45Å; Q335-D339 PolarHBondContact NE2-OD1 2.88Å; Q335-D339 VanDerWaalsContact NE2-OD1 3.07Å; Q335-D339 WeakPolarHBondContact O-CB 3.29Å; Q335-D339 VanDerWaalsContact O-CG 3.3Å; Q335-D339 PolarHBondContact O-N 3.35Å; I336-D339 PolarHBondContact O-N 2.57Å; D339-Q341 PolarHBondContact O-N 3.4Å
340	L	98.5	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.8	172	-68.5	171.3	0	0	0	113.1	F286 F297 I300 F307 A310 I312 I336 Q338 A342	F286-L340 HydrophobicContact CB-CD1 4.43Å; F286-L340 HydrophobicContact CD1-CD1 3.25Å; F286-L340 HydrophobicContact CD1-CD2 4.1Å; F286-L340 HydrophobicContact CD1-CG 4.32Å; F286-L340 HydrophobicContact CD2-CD2 4.05Å; F286-L340 HydrophobicContact CE1-CD1 3.48Å; F286-L340 VanDerWaalsContact CE1-CD1 3.48Å; F286-L340 HydrophobicContact CE1-CD2 4Å; F286-L340 HydrophobicContact CE1-CG 4.36Å; F286-L340 HydrophobicContact CE2-CD2 4.01Å; F286-L340 HydrophobicContact CG-CD1 3.86Å; F286-L340 HydrophobicContact CG-CD2 4.09Å; F286-L340 HydrophobicContact CZ-CD1 4.28Å; F286-L340 HydrophobicContact CZ-CD2 3.95Å; F297-L340 HydrophobicContact CD1-CD2 4.43Å; I300-L340 HydrophobicContact CB-CD2 4Å; I300-L340 HydrophobicContact CG2-CD2 3.5Å; F307-L340 HydrophobicContact CD2-CB 4.32Å; F307-L340 WeakPolarHBondContact CD2-O 3.37Å; F307-L340 HydrophobicContact CE2-CD2 4.33Å; A310-L340 HydrophobicContact CB-CD1 4.02Å; I312-L340 HydrophobicContact CD1-CD1 4.37Å; I336-L340 HydrophobicContact CG2-CD1 3.56Å; I336-L340 HydrophobicContact CG2-CG 4.07Å; I336-L340 WeakPolarHBondContact O-CB 3.33Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.38Å; I336-L340 PolarHBondContact O-N 2.69Å; Q338-L340 VanDerWaalsContact C-N 3.31Å; Q338-L340 PolarHBondContact O-N 3.38Å; L340-A342 HydrophobicContact CB-CB 4.35Å; L340-A342 PolarHBondContact O-N 2.6Å
341	Q	98.2	Very high	98	Very high	95 Å²	95	24.7 Å²	24.7	44%	0.444	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	40.2	-169.1	-53	167.5	36	0	0	111.1	G301 P306 F307 H337 Q338 D339	G301-Q341 PolarHBondContact O-NE2 3.07Å; P306-Q341 WeakPolarHBondContact CA-O 3.28Å; P306-Q341 HydrophobicContact CB-CB 4.19Å; P306-Q341 VanDerWaalsContact CB-O 3.25Å; P306-Q341 WeakPolarHBondContact CB-O 3.48Å; F307-Q341 PolarHBondContact N-O 3.47Å; H337-Q341 PolarHBondContact O-N 2.84Å; Q338-Q341 WeakPolarHBondContact O-CA 3.47Å; Q338-Q341 PolarHBondContact O-N 2.8Å; D339-Q341 PolarHBondContact O-N 3.4Å
342	A	98.1	Very high	97.9	Very high	9 Å²	9	22.1 Å²	22.1	7%	0.074	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.4	179.1	0	0	0	0	0	110.1	F307 A310 H337 L340	F307-A342 HydrophobicContact CB-CB 4.38Å; F307-A342 CarbonylContact O-C 3.46Å; F307-A342 WeakPolarHBondContact O-CA 3.27Å; A310-A342 HydrophobicContact CB-CB 3.96Å; H337-A342 PolarHBondContact CE1-O 3.31Å; H337-A342 PolarHBondContact NE2-O 2.9Å; H337-A342 PolarHBondContact O-N 2.71Å; H337-A342 VanDerWaalsContact O-N 3.09Å; L340-A342 HydrophobicContact CB-CB 4.35Å; L340-A342 PolarHBondContact O-N 2.6Å
343	K	96.9	Very high	97.7	Very high	117 Å²	117	21.4 Å²	21.4	51%	0.509	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-43	174.3	-64.3	177.1	-170.5	164.1	0	110.8	F307 D308	F307-K343 PolarHBondContact O-N 3.26Å; D308-K343 IonicContact OD1-NZ 3.55Å; D308-K343 PolarHBondContact OD1-NZ 3.36Å
344	Q	96.9	Very high	97.5	Very high	51 Å²	51	23.5 Å²	23.5	24%	0.238	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.4	175.3	-64.5	-168.6	-83.3	0	0	110.8	D308 L309 A310 E379 S380 H391	D308-Q344 PolarHBondContact O-N 3.14Å; L309-Q344 CarbonylContact C-O 3.59Å; L309-Q344 VanDerWaalsContact CA-O 3.26Å; L309-Q344 WeakPolarHBondContact CA-O 3.21Å; L309-Q344 HydrophobicContact CD1-CB 3.98Å; A310-Q344 PolarHBondContact N-O 3Å; Q344-E379 PolarHBondContact NE2-O 3.48Å; Q344-S380 CarbonylContact C-O 3.57Å; Q344-S380 VanDerWaalsContact CA-O 3.28Å; Q344-S380 WeakPolarHBondContact CA-O 3.39Å; Q344-H391 PolarHBondContact OE1-CE1 3.4Å; Q344-H391 PolarHBondContact OE1-ND1 3.01Å
345	S	98.1	Very high	97.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	172.6	-66.7	0	0	0	0	111.9	A310 I312 H337 S380 C381 V382	A310-S345 CarbonylContact O-C 3.59Å; A310-S345 WeakPolarHBondContact O-CA 3.46Å; A310-S345 WeakPolarHBondContact O-CB 3.18Å; A310-S345 PolarHBondContact O-OG 3.49Å; I312-S345 WeakPolarHBondContact CD1-OG 3.44Å; H337-S345 PolarHBondContact ND1-OG 3.11Å; S345-S380 PolarHBondContact N-O 3.4Å; S345-C381 CarbonylContact O-C 3.55Å; S345-C381 VanDerWaalsContact O-CA 3.3Å; S345-C381 WeakPolarHBondContact O-CA 3.35Å; S345-V382 WeakPolarHBondContact O-CG2 3.34Å; S345-V382 PolarHBondContact O-N 3.49Å
346	V	97.4	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.7	169.2	62.5	0	0	0	0	109.2	V133 A310 A311 I312 V382 P390	V133-V346 HydrophobicContact CG1-CG1 4.26Å; A310-V346 PolarHBondContact O-N 2.89Å; A311-V346 WeakPolarHBondContact CA-O 3.45Å; A311-V346 HydrophobicContact CB-CG1 3.68Å; I312-V346 PolarHBondContact N-O 3.35Å; V346-V382 WeakPolarHBondContact CA-O 3.47Å; V346-P390 HydrophobicContact CG2-CG 3.78Å
347	A	97.9	Very high	96.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.7	177.2	0	0	0	0	0	111.6	I312 I314 L367 V382 T383	I312-A347 WeakPolarHBondContact O-CA 3.28Å; I314-A347 HydrophobicContact CD1-CB 3.61Å; I314-A347 HydrophobicContact CG1-CB 3.95Å; I314-A347 HydrophobicContact CG2-CB 4.03Å; A347-L367 HydrophobicContact CB-CD2 4.04Å; A347-V382 PolarHBondContact N-O 2.79Å; A347-T383 HydrophobicContact CB-CG2 3.74Å
348	I	98.6	Very high	96	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-178.3	178.4	61.7	167.4	0	0	0	111.7	H138 A139 V141 F287 A311 I312 P313 I314 W350	H138-I348 WeakPolarHBondContact O-CB 3.32Å; A139-I348 HydrophobicContact CB-CD1 4.28Å; V141-I348 HydrophobicContact CG1-CG2 3.77Å; F287-I348 HydrophobicContact CD2-CD1 3.97Å; F287-I348 HydrophobicContact CE2-CD1 3.46Å; F287-I348 VanDerWaalsContact CE2-CD1 3.46Å; A311-I348 HydrophobicContact CB-CD1 4.18Å; A311-I348 HydrophobicContact CB-CG2 4.09Å; I312-I348 WeakPolarHBondContact O-CG1 3.14Å; I312-I348 PolarHBondContact O-N 3.46Å; P313-I348 WeakPolarHBondContact CA-O 3.39Å; P313-I348 HydrophobicContact CB-CG1 4.37Å; I314-I348 PolarHBondContact N-O 3.34Å; I348-W350 PolarHBondContact O-N 2.87Å; I348-W350 VanDerWaalsContact O-N 3.15Å
349	H	97.8	Very high	95.8	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.023	13%	0.131	C	C	.	.	S	Bend	trans	64.9	13.4	174.9	-157.6	-97.5	0	0	0	115.6	H138 D195 H196 D290 P313 G315 A316 H327	H138-H349 AromaticContact CE1-CD2 3.15Å; H138-H349 PolarHBondContact CE1-CD2 2.78Å; H138-H349 AromaticContact CE1-CE1 3.94Å; H138-H349 AromaticContact CE1-CG 3.76Å; H138-H349 AromaticContact CE1-NE2 3.23Å; H138-H349 PolarHBondContact CE1-NE2 3.22Å; H138-H349 AromaticContact NE2-CD2 3.24Å; H138-H349 PolarHBondContact NE2-CD2 3.24Å; H138-H349 AromaticContact NE2-NE2 3.34Å; H138-H349 PolarHBondContact NE2-NE2 3.48Å; H138-H349 PolarHBondContact O-N 2.78Å; D195-H349 IonicContact OD2-NE2 3.89Å; H196-H349 AromaticContact CE1-CD2 3.7Å; H196-H349 AromaticContact NE2-CD2 3.42Å; H196-H349 PolarHBondContact NE2-CD2 3.15Å; H196-H349 AromaticContact NE2-NE2 3.46Å; H196-H349 PolarHBondContact NE2-NE2 3.38Å; D290-H349 IonicContact OD1-CD2 3.73Å; D290-H349 PolarHBondContact OD1-CD2 2.81Å; D290-H349 IonicContact OD1-CE1 3.4Å; D290-H349 IonicContact OD1-CG 3.54Å; D290-H349 IonicContact OD1-ND1 2.68Å; D290-H349 IonicContact OD1-NE2 3.54Å; D290-H349 PolarHBondContact OD1-NE2 3.43Å; D290-H349 VanDerWaalsContact OD1-NE2 3.12Å; D290-H349 IonicContact OD2-NE2 3.09Å; P313-H349 HydrophobicContact CB-CB 3.54Å; G315-H349 PolarHBondContact O-ND1 3.5Å; A316-H349 VanDerWaalsContact CB-CE1 3.45Å; A316-H349 WeakPolarHBondContact CB-CE1 3.38Å; H327-H349 AromaticContact CE1-CE1 3.6Å; H327-H349 AromaticContact ND1-CE1 3.83Å
350	W	97	Very high	95.6	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.049	13%	0.128	C	C	.	.			trans	-126.4	171.9	179	78.4	-76.4	0	0	0	111.1	L111 W135 I314 I348 T352 P363 P364 T383	L111-W350 HydrophobicContact CD1-CZ3 4.38Å; L111-W350 HydrophobicContact CD2-CH2 3.56Å; L111-W350 HydrophobicContact CD2-CZ3 3.61Å; W135-W350 HydrophobicContact CH2-CD2 4.41Å; W135-W350 AromaticContact CH2-CE2 3.82Å; W135-W350 HydrophobicContact CH2-CZ2 4.03Å; W135-W350 AromaticContact CH2-NE1 3.77Å; W135-W350 VanDerWaalsContact CZ2-O 3.32Å; W135-W350 WeakPolarHBondContact CZ2-O 3.33Å; W135-W350 HydrophobicContact CZ3-CZ2 4.16Å; I314-W350 HydrophobicContact CD1-CB 4.46Å; I314-W350 HydrophobicContact CD1-CD2 4.2Å; I314-W350 HydrophobicContact CD1-CG 3.83Å; I314-W350 HydrophobicContact CG1-CB 3.94Å; I314-W350 VanDerWaalsContact CG1-CD1 3.46Å; I314-W350 HydrophobicContact CG1-CG 3.72Å; I348-W350 PolarHBondContact O-N 2.87Å; I348-W350 VanDerWaalsContact O-N 3.15Å; W350-T352 PolarHBondContact O-N 2.82Å; W350-T352 PolarHBondContact O-OG1 2.72Å; W350-P363 HydrophobicContact CB-CB 4.19Å; W350-P363 HydrophobicContact CB-CG 4.23Å; W350-P363 HydrophobicContact CG-CB 4.47Å; W350-P364 HydrophobicContact CD2-CG 3.94Å; W350-P364 HydrophobicContact CE3-CG 3.52Å; W350-P364 HydrophobicContact CH2-CB 4.39Å; W350-P364 HydrophobicContact CH2-CG 3.19Å; W350-P364 HydrophobicContact CZ2-CG 3.62Å; W350-P364 HydrophobicContact CZ3-CG 3.13Å; W350-T383 HydrophobicContact CZ2-CG2 4.22Å
351	G	94.6	Very high	95.4	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	66	11.9	168.9	0	0	0	0	0	116	Y171 R172	Y171-G351 WeakPolarHBondContact CE2-O 3.27Å; Y171-G351 WeakPolarHBondContact OH-CA 3.33Å; Y171-G351 PolarHBondContact OH-N 3.47Å; R172-G351 WeakPolarHBondContact CG-O 3.42Å
352	T	95.9	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-131.7	-53.8	-173.5	-50.3	0	0	0	0	114.1	H138 R170 Y171 W350	H138-T352 HydrophobicContact CB-CG2 4.01Å; H138-T352 PolarHBondContact N-OG1 2.61Å; R170-T352 CarbonylContact C-O 3.58Å; R170-T352 VanDerWaalsContact CA-O 3.23Å; R170-T352 WeakPolarHBondContact CA-O 3.44Å; R170-T352 HydrophobicContact CB-CG2 4.18Å; R170-T352 WeakPolarHBondContact CB-O 3.33Å; Y171-T352 VanDerWaalsContact CD1-O 3.28Å; Y171-T352 WeakPolarHBondContact CD1-O 3.49Å; Y171-T352 WeakPolarHBondContact CE1-O 3.32Å; Y171-T352 VanDerWaalsContact CZ-N 3.26Å; Y171-T352 PolarHBondContact N-O 2.88Å; Y171-T352 PolarHBondContact OH-N 3.49Å; W350-T352 PolarHBondContact O-N 2.82Å; W350-T352 PolarHBondContact O-OG1 2.72Å
353	F	96	Very high	95.3	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.053	13%	0.125	C	C	.	.			trans	-119.5	150	176.7	-66.4	-89.3	0	0	0	110.3	H138 I155 A160 P168 R170 L355	H138-F353 HydrophobicContact CB-CD2 4.12Å; H138-F353 HydrophobicContact CB-CE2 4.15Å; H138-F353 AromaticContact CG-CD2 3.78Å; H138-F353 AromaticContact ND1-CD2 3.73Å; I155-F353 HydrophobicContact CD1-CE1 4.49Å; I155-F353 HydrophobicContact CD1-CE2 4.03Å; I155-F353 HydrophobicContact CD1-CZ 3.57Å; I155-F353 HydrophobicContact CG1-CZ 4.22Å; I155-F353 HydrophobicContact CG2-CE2 4.29Å; A160-F353 HydrophobicContact CB-CD1 4.33Å; A160-F353 HydrophobicContact CB-CE1 3.91Å; A160-F353 HydrophobicContact CB-CZ 4.21Å; P168-F353 HydrophobicContact CB-CD1 4.33Å; R170-F353 HydrophobicContact CB-CD1 3.83Å; R170-F353 HydrophobicContact CB-CD2 4.46Å; R170-F353 HydrophobicContact CB-CE1 3.51Å; R170-F353 HydrophobicContact CB-CE2 4.17Å; R170-F353 HydrophobicContact CB-CG 4.3Å; R170-F353 HydrophobicContact CB-CZ 3.69Å; R170-F353 HydrophobicContact CG-CE1 4.47Å; R170-F353 VanDerWaalsContact N-CE1 3.34Å; F353-L355 HydrophobicContact CB-CD1 4.2Å; F353-L355 HydrophobicContact CB-CD2 3.87Å; F353-L355 HydrophobicContact CB-CG 3.7Å; F353-L355 PolarHBondContact O-N 3.36Å
354	A	93.6	Very high	95.3	Very high	46 Å²	46	20.8 Å²	20.8	38%	0.38	10%	0.104	S	C	.	.			trans	-94.7	85.5	169.8	0	0	0	0	0	108.5	V100 Y171	V100-A354 HydrophobicContact CG2-CB 4.15Å; Y171-A354 HydrophobicContact CE1-CB 4.37Å
355	L	91.1	Very high	95.3	Very high	50 Å²	50	21 Å²	21	26%	0.262	11%	0.109	S	C	.	.			trans	-95.8	-21	-176.2	-60.6	177.4	0	0	0	113.1	H138 P168 D195 A316 F353	H138-L355 VanDerWaalsContact CE1-CD1 3.45Å; H138-L355 WeakPolarHBondContact CE1-CD1 3.45Å; P168-L355 HydrophobicContact CB-CD2 3.86Å; P168-L355 HydrophobicContact CG-CD2 3.94Å; D195-L355 HydrophobicContact CB-CD1 4.46Å; D195-L355 WeakPolarHBondContact OD2-CD1 3.45Å; A316-L355 HydrophobicContact CB-CB 4.2Å; F353-L355 HydrophobicContact CB-CD1 4.2Å; F353-L355 HydrophobicContact CB-CD2 3.87Å; F353-L355 HydrophobicContact CB-CG 3.7Å; F353-L355 PolarHBondContact O-N 3.36Å
356	A	90.1	Very high	95.3	Very high	3 Å²	3	23.3 Å²	23.3	3%	0.025	12%	0.118	C	C	.	.	S	Bend	trans	-139	-165.4	174.6	0	0	0	0	0	110.3	A316 L318 M323 D358	A316-A356 HydrophobicContact CB-CB 3.98Å; L318-A356 WeakPolarHBondContact O-CB 3.23Å; M323-A356 HydrophobicContact CE-CB 3.68Å; A356-D358 WeakPolarHBondContact CB-OD1 3.28Å
357	Y	90.9	Very high	95.3	Very high	37 Å²	37	23.4 Å²	23.4	15%	0.145	12%	0.118	C	C	.	.	S	Bend	trans	-101.6	4.8	-168.4	-65.3	-5.1	0	0	0	114.4	F90 D94 K95 N96 H97 S98 L318	F90-Y357 HydrophobicContact CD2-CD2 4.2Å; F90-Y357 AromaticContact CD2-CE2 3.79Å; F90-Y357 HydrophobicContact CD2-CE2 3.79Å; F90-Y357 AromaticContact CD2-CZ 4Å; F90-Y357 AromaticContact CE2-CD1 4Å; F90-Y357 HydrophobicContact CE2-CD1 4Å; F90-Y357 AromaticContact CE2-CD2 3.85Å; F90-Y357 HydrophobicContact CE2-CD2 3.85Å; F90-Y357 AromaticContact CE2-CE1 3.77Å; F90-Y357 HydrophobicContact CE2-CE1 3.77Å; F90-Y357 AromaticContact CE2-CE2 3.66Å; F90-Y357 HydrophobicContact CE2-CE2 3.66Å; F90-Y357 HydrophobicContact CE2-CG 4.01Å; F90-Y357 AromaticContact CE2-CZ 3.6Å; F90-Y357 HydrophobicContact CZ-CD1 4.37Å; F90-Y357 AromaticContact CZ-CE1 3.96Å; F90-Y357 HydrophobicContact CZ-CE1 3.96Å; F90-Y357 PolarHBondContact O-OH 2.71Å; D94-Y357 HydrophobicContact CB-CD2 3.97Å; D94-Y357 HydrophobicContact CB-CE2 3.51Å; D94-Y357 WeakPolarHBondContact O-CE2 3.4Å; K95-Y357 VanDerWaalsContact O-CD2 3.23Å; K95-Y357 WeakPolarHBondContact O-CD2 3.13Å; N96-Y357 HydrophobicContact CB-CD1 4.17Å; N96-Y357 HydrophobicContact CB-CE1 4.13Å; H97-Y357 CarbonylContact C-O 3.57Å; H97-Y357 VanDerWaalsContact C-O 3.32Å; H97-Y357 WeakPolarHBondContact CA-O 3.46Å; H97-Y357 VanDerWaalsContact CB-O 3.24Å; H97-Y357 WeakPolarHBondContact CB-O 3.36Å; S98-Y357 PolarHBondContact N-O 3.28Å; L318-Y357 PolarHBondContact O-N 2.63Å
358	D	91	Very high	95.2	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.091	14%	0.141	C	C	.	.	S	Bend	trans	-62	135.2	171.8	44	-69.3	0	0	0	111.8	S98 A316 Y317 L318 A356 Y360	S98-D358 VanDerWaalsContact CA-O 3.29Å; S98-D358 WeakPolarHBondContact CA-O 3.18Å; A316-D358 VanDerWaalsContact CA-OD1 3.29Å; A316-D358 WeakPolarHBondContact CA-OD1 3.03Å; A316-D358 PolarHBondContact N-OD1 2.96Å; A316-D358 PolarHBondContact N-OD2 3.03Å; Y317-D358 HydrophobicContact CE1-CB 4.16Å; Y317-D358 HydrophobicContact CE2-CB 3.92Å; Y317-D358 PolarHBondContact N-OD1 3.41Å; L318-D358 HydrophobicContact CB-CB 4.34Å; L318-D358 HydrophobicContact CD1-CB 4.29Å; L318-D358 HydrophobicContact CG-CB 4.3Å; A356-D358 WeakPolarHBondContact CB-OD1 3.28Å; D358-Y360 PolarHBondContact O-N 3.36Å
359	Y	94.6	Very high	95.2	Very high	89 Å²	89	33.5 Å²	33.5	35%	0.349	16%	0.16	S	C	.	.			trans	-58.8	131.6	173	171.6	-119.1	0	0	0	109.2	S98 L361 E362 P363	S98-Y359 WeakPolarHBondContact O-CD2 2.99Å; Y359-L361 HydrophobicContact CD1-CB 4.26Å; Y359-L361 HydrophobicContact CE1-CB 3.7Å; Y359-L361 HydrophobicContact CE1-CD1 4.5Å; Y359-L361 HydrophobicContact CE1-CG 4.38Å; Y359-L361 PolarHBondContact O-N 2.89Å; Y359-E362 HydrophobicContact CD1-CB 4.24Å; Y359-E362 VanDerWaalsContact O-CB 3.22Å; Y359-E362 WeakPolarHBondContact O-CB 3.27Å; Y359-E362 PolarHBondContact O-N 2.74Å; Y359-P363 WeakPolarHBondContact O-CD 3.34Å
360	Y	93.6	Very high	95.2	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.02	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.1	-162.2	86.2	-77.2	0	0	0	115.8	S98 V100 P101 L107 E110 L111 Y171 D358	S98-Y360 PolarHBondContact O-N 3.09Å; S98-Y360 VanDerWaalsContact O-N 3.12Å; V100-Y360 HydrophobicContact CG2-CG 4.4Å; P101-Y360 HydrophobicContact CG-CE1 3.87Å; P101-Y360 WeakPolarHBondContact CG-OH 3.37Å; L107-Y360 HydrophobicContact CD2-CE2 4.01Å; E110-Y360 PolarHBondContact OE2-OH 2.72Å; L111-Y360 HydrophobicContact CD1-CD2 3.66Å; L111-Y360 HydrophobicContact CD1-CE2 3.58Å; L111-Y360 HydrophobicContact CG-CE2 4.16Å; Y171-Y360 HydrophobicContact CE2-CD2 4.15Å; D358-Y360 PolarHBondContact O-N 3.36Å
361	L	95.6	Very high	95.2	Very high	33 Å²	33	32.9 Å²	32.9	17%	0.173	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-1.4	173.7	-61.6	176.6	0	0	0	114	E110 L111 Y359 P364	E110-L361 HydrophobicContact CB-CD1 4.02Å; E110-L361 HydrophobicContact CB-CD2 4.43Å; E110-L361 HydrophobicContact CG-CD1 4.24Å; L111-L361 HydrophobicContact CD1-CD2 3.94Å; L111-L361 HydrophobicContact CD2-CD2 3.83Å; L111-L361 HydrophobicContact CG-CD2 3.7Å; Y359-L361 HydrophobicContact CD1-CB 4.26Å; Y359-L361 HydrophobicContact CE1-CB 3.7Å; Y359-L361 HydrophobicContact CE1-CD1 4.5Å; Y359-L361 HydrophobicContact CE1-CG 4.38Å; Y359-L361 PolarHBondContact O-N 2.89Å; L361-P364 WeakPolarHBondContact O-CD 3.35Å
362	E	96.7	Very high	95.4	Very high	60 Å²	60	39.7 Å²	39.7	28%	0.28	19%	0.19	S	C	.	.	H	α-helix	trans	-64.9	-41.4	177.4	-172.4	-177.4	91.9	0	0	113.3	Y317 Y359 V365 R366	Y317-E362 WeakPolarHBondContact CE2-OE1 3.13Å; Y317-E362 WeakPolarHBondContact OH-CG 3.33Å; Y317-E362 PolarHBondContact OH-OE1 3.17Å; Y359-E362 HydrophobicContact CD1-CB 4.24Å; Y359-E362 VanDerWaalsContact O-CB 3.22Å; Y359-E362 WeakPolarHBondContact O-CB 3.27Å; Y359-E362 PolarHBondContact O-N 2.74Å; E362-V365 WeakPolarHBondContact O-CB 3.25Å; E362-V365 PolarHBondContact O-N 3.4Å; E362-R366 HydrophobicContact CG-CG 3.93Å; E362-R366 PolarHBondContact O-N 3.25Å
363	P	97.1	Very high	95.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-55.8	-47.4	-172.8	-23.9	30.9	0	0	0	114.5	I314 Y317 W350 Y359 V365 R366 L367	I314-P363 HydrophobicContact CB-CB 4.37Å; I314-P363 HydrophobicContact CD1-CB 3.6Å; I314-P363 HydrophobicContact CG1-CB 3.79Å; I314-P363 WeakPolarHBondContact O-CB 3.18Å; Y317-P363 HydrophobicContact CE1-CB 4.18Å; Y317-P363 HydrophobicContact CE1-CG 3.94Å; W350-P363 HydrophobicContact CB-CB 4.19Å; W350-P363 HydrophobicContact CB-CG 4.23Å; W350-P363 HydrophobicContact CG-CB 4.47Å; Y359-P363 WeakPolarHBondContact O-CD 3.34Å; P363-V365 VanDerWaalsContact C-N 3.3Å; P363-V365 PolarHBondContact O-N 3.38Å; P363-R366 PolarHBondContact O-N 3.26Å; P363-L367 WeakPolarHBondContact O-CB 3.49Å; P363-L367 PolarHBondContact O-N 3.27Å
364	P	96.3	Very high	95.4	Very high	11 Å²	11	51.1 Å²	51.1	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-32.9	175.5	-25.8	36.1	0	0	0	114.5	W350 L361 R368 T383	W350-P364 HydrophobicContact CD2-CG 3.94Å; W350-P364 HydrophobicContact CE3-CG 3.52Å; W350-P364 HydrophobicContact CH2-CB 4.39Å; W350-P364 HydrophobicContact CH2-CG 3.19Å; W350-P364 HydrophobicContact CZ2-CG 3.62Å; W350-P364 HydrophobicContact CZ3-CG 3.13Å; L361-P364 WeakPolarHBondContact O-CD 3.35Å; P364-R368 WeakPolarHBondContact O-CG 3.36Å; P364-R368 PolarHBondContact O-N 3.21Å; P364-R368 PolarHBondContact O-NH1 2.8Å; P364-T383 HydrophobicContact CB-CG2 3.93Å; P364-T383 HydrophobicContact CG-CG2 4.21Å
365	V	96.8	Very high	95.6	Very high	55 Å²	55	52.2 Å²	52.2	33%	0.333	26%	0.257	S	S	.	.	H	α-helix	trans	-67.6	-53.2	179.6	177.5	0	0	0	0	109.1	E362 P363 L367 R368 E369	E362-V365 WeakPolarHBondContact O-CB 3.25Å; E362-V365 PolarHBondContact O-N 3.4Å; P363-V365 VanDerWaalsContact C-N 3.3Å; P363-V365 PolarHBondContact O-N 3.38Å; V365-L367 VanDerWaalsContact C-N 3.28Å; V365-L367 PolarHBondContact O-N 3.33Å; V365-R368 PolarHBondContact O-N 3.41Å; V365-R368 VanDerWaalsContact O-N 3.16Å; V365-E369 WeakPolarHBondContact O-CG 3.41Å; V365-E369 PolarHBondContact O-N 3.34Å; V365-E369 VanDerWaalsContact O-N 3.11Å
366	R	97.8	Very high	95.8	Very high	50 Å²	50	52 Å²	52	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-34.4	178.2	-73.7	-171.3	69.2	-165.3	2.4	112.8	P330 E331 E362 P363 E369 A370	P330-R366 HydrophobicContact CB-CB 3.92Å; P330-R366 HydrophobicContact CG-CB 3.77Å; E331-R366 IonicContact OE1-CZ 3.12Å; E331-R366 VanDerWaalsContact OE1-CZ 3.32Å; E331-R366 IonicContact OE1-NE 3.72Å; E331-R366 PolarHBondContact OE1-NE 3.1Å; E331-R366 VanDerWaalsContact OE1-NE 3.12Å; E331-R366 IonicContact OE1-NH2 2.93Å; E331-R366 PolarHBondContact OE1-NH2 3.1Å; E331-R366 IonicContact OE2-CZ 3.74Å; E331-R366 VanDerWaalsContact OE2-CZ 3.29Å; E331-R366 IonicContact OE2-NE 3.75Å; E331-R366 IonicContact OE2-NH2 3.25Å; E331-R366 PolarHBondContact OE2-NH2 2.84Å; E362-R366 HydrophobicContact CG-CG 3.93Å; E362-R366 PolarHBondContact O-N 3.25Å; P363-R366 PolarHBondContact O-N 3.26Å; R366-E369 PolarHBondContact O-N 3.15Å; R366-A370 VanDerWaalsContact O-CB 3.29Å; R366-A370 WeakPolarHBondContact O-CB 3.45Å; R366-A370 PolarHBondContact O-N 3.31Å
367	L	98.1	Very high	95.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-47.1	173.8	178.5	64.4	0	0	0	111.7	I314 P330 V334 A347 P363 V365 A370 L371 C381 T383	I314-L367 HydrophobicContact CD1-CD2 4.25Å; I314-L367 HydrophobicContact CG2-CD1 4.39Å; I314-L367 HydrophobicContact CG2-CD2 4.43Å; P330-L367 HydrophobicContact CB-CB 4.04Å; V334-L367 HydrophobicContact CG2-CD1 3.7Å; A347-L367 HydrophobicContact CB-CD2 4.04Å; P363-L367 WeakPolarHBondContact O-CB 3.49Å; P363-L367 PolarHBondContact O-N 3.27Å; V365-L367 VanDerWaalsContact C-N 3.28Å; V365-L367 PolarHBondContact O-N 3.33Å; L367-A370 PolarHBondContact O-N 3Å; L367-L371 HydrophobicContact CG-CD1 4.38Å; L367-L371 WeakPolarHBondContact O-CG 3.22Å; L367-L371 PolarHBondContact O-N 3.41Å; L367-C381 HydrophobicContact CD1-CB 4.3Å; L367-C381 HydrophobicContact CD2-CB 4.39Å; L367-T383 HydrophobicContact CD2-CG2 3.76Å
368	R	97.1	Very high	95.8	Very high	124 Å²	124	60.2 Å²	60.2	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.8	-71.1	-169	-49.5	-89.8	-1	111.8	P364 V365 A370 L371 E372	P364-R368 WeakPolarHBondContact O-CG 3.36Å; P364-R368 PolarHBondContact O-N 3.21Å; P364-R368 PolarHBondContact O-NH1 2.8Å; V365-R368 PolarHBondContact O-N 3.41Å; V365-R368 VanDerWaalsContact O-N 3.16Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 2.88Å; R368-L371 PolarHBondContact O-N 2.86Å; R368-E372 PolarHBondContact O-N 2.82Å
369	E	97.8	Very high	95.7	Very high	89 Å²	89	63.8 Å²	63.8	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.8	-68.2	172.2	175.3	0	0	111.4	V365 R366 E372 Q373	V365-E369 WeakPolarHBondContact O-CG 3.41Å; V365-E369 PolarHBondContact O-N 3.34Å; V365-E369 VanDerWaalsContact O-N 3.11Å; R366-E369 PolarHBondContact O-N 3.15Å; E369-E372 PolarHBondContact O-N 2.95Å; E369-Q373 WeakPolarHBondContact O-CB 3.49Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.39Å; E369-Q373 PolarHBondContact O-N 3.08Å
370	A	98.1	Very high	95.3	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-63.8	-40.9	176.8	0	0	0	0	0	112.7	E331 V334 R366 L367 R368 Q373 K374	E331-A370 HydrophobicContact CB-CB 4.38Å; E331-A370 HydrophobicContact CG-CB 3.93Å; V334-A370 HydrophobicContact CB-CB 4.39Å; V334-A370 HydrophobicContact CG2-CB 3.76Å; R366-A370 VanDerWaalsContact O-CB 3.29Å; R366-A370 WeakPolarHBondContact O-CB 3.45Å; R366-A370 PolarHBondContact O-N 3.31Å; L367-A370 PolarHBondContact O-N 3Å; R368-A370 VanDerWaalsContact C-N 3.32Å; R368-A370 PolarHBondContact O-N 2.88Å; A370-Q373 PolarHBondContact O-N 3.1Å; A370-K374 WeakPolarHBondContact O-CG 2.97Å; A370-K374 PolarHBondContact O-N 2.95Å
371	L	97.3	Very high	95.2	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-47.9	174.6	-71	169.9	0	0	0	111.2	V334 L367 R368 Q373 K374 G375 L376 C381	V334-L371 HydrophobicContact CG1-CD2 4.2Å; V334-L371 HydrophobicContact CG2-CD2 3.83Å; V334-L371 HydrophobicContact CG2-CG 4.01Å; L367-L371 HydrophobicContact CG-CD1 4.38Å; L367-L371 WeakPolarHBondContact O-CG 3.22Å; L367-L371 PolarHBondContact O-N 3.41Å; R368-L371 PolarHBondContact O-N 2.86Å; L371-Q373 PolarHBondContact O-N 2.85Å; L371-K374 CarbonylContact O-C 3.49Å; L371-K374 PolarHBondContact O-N 3.41Å; L371-K374 VanDerWaalsContact O-N 3.17Å; L371-G375 PolarHBondContact O-N 2.85Å; L371-G375 VanDerWaalsContact O-N 3.16Å; L371-L376 HydrophobicContact CB-CB 4.38Å; L371-L376 HydrophobicContact CD2-CB 3.87Å; L371-L376 HydrophobicContact CD2-CD1 3.96Å; L371-L376 PolarHBondContact O-N 3.28Å; L371-C381 HydrophobicContact CD1-CB 4.07Å; L371-C381 HydrophobicContact CD2-CB 4.08Å
372	E	97	Very high	94.9	Very high	145 Å²	145	60.6 Å²	60.6	68%	0.678	31%	0.309	S	S	*	.	H	α-helix	trans	-59.5	-45.4	177.8	-79.2	-175.5	173.8	0	0	111.8	R368 E369 K374 G375	R368-E372 PolarHBondContact O-N 2.82Å; E369-E372 PolarHBondContact O-N 2.95Å; E372-K374 PolarHBondContact O-N 3.38Å; E372-G375 PolarHBondContact O-N 3.33Å
373	Q	97.3	Very high	94.2	Very high	148 Å²	148	60.4 Å²	60.4	69%	0.692	31%	0.312	S	S	*	.	H	α-helix	trans	-60.5	-31.1	177.9	-74.1	172.6	27.9	0	0	113	E369 A370 L371 G375	E369-Q373 WeakPolarHBondContact O-CB 3.49Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.39Å; E369-Q373 PolarHBondContact O-N 3.08Å; A370-Q373 PolarHBondContact O-N 3.1Å; L371-Q373 PolarHBondContact O-N 2.85Å; Q373-G375 VanDerWaalsContact C-N 3.35Å
374	K	96.5	Very high	93.2	Very high	104 Å²	104	60.9 Å²	60.9	45%	0.452	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.7	177.4	-66.2	-70.9	-170	157.3	0	113.3	V334 A370 L371 E372 L376	V334-K374 HydrophobicContact CG1-CB 4.32Å; V334-K374 HydrophobicContact CG1-CG 3.95Å; A370-K374 WeakPolarHBondContact O-CG 2.97Å; A370-K374 PolarHBondContact O-N 2.95Å; L371-K374 CarbonylContact O-C 3.49Å; L371-K374 PolarHBondContact O-N 3.41Å; L371-K374 VanDerWaalsContact O-N 3.17Å; E372-K374 PolarHBondContact O-N 3.38Å; K374-L376 HydrophobicContact CB-CD1 4.24Å; K374-L376 HydrophobicContact CB-CG 4.12Å; K374-L376 PolarHBondContact O-N 3.01Å
375	G	96.6	Very high	92.3	Very high	69 Å²	69	61.9 Å²	61.9	71%	0.711	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	23.1	-176.7	0	0	0	0	0	113.5	L371 E372 Q373	L371-G375 PolarHBondContact O-N 2.85Å; L371-G375 VanDerWaalsContact O-N 3.16Å; E372-G375 PolarHBondContact O-N 3.33Å; Q373-G375 VanDerWaalsContact C-N 3.35Å
376	L	95.4	Very high	91.2	Very high	44 Å²	44	59.3 Å²	59.3	23%	0.23	31%	0.309	C	S	.	.			trans	-90	153.5	175.7	-63.8	176.9	0	0	0	109.9	V334 Q338 L371 K374	V334-L376 HydrophobicContact CG1-CD1 3.73Å; Q338-L376 HydrophobicContact CG-CD1 4.05Å; L371-L376 HydrophobicContact CB-CB 4.38Å; L371-L376 HydrophobicContact CD2-CB 3.87Å; L371-L376 HydrophobicContact CD2-CD1 3.96Å; L371-L376 PolarHBondContact O-N 3.28Å; K374-L376 HydrophobicContact CB-CD1 4.24Å; K374-L376 HydrophobicContact CB-CG 4.12Å; K374-L376 PolarHBondContact O-N 3.01Å
377	K	93.2	Very high	89.6	Confident	133 Å²	133	57 Å²	57	58%	0.578	30%	0.301	S	S	*	.			trans	-81.1	150.5	179.5	-51.8	-172.5	-176.6	177.3	0	110.2	E379 S380	K377-E379 HydrophobicContact CB-CG 4.03Å; K377-E379 WeakPolarHBondContact CB-OE1 2.98Å; K377-E379 VanDerWaalsContact CB-OE2 3.26Å; K377-E379 WeakPolarHBondContact CB-OE2 3.24Å; K377-E379 WeakPolarHBondContact CD-OE1 3.21Å; K377-E379 IonicContact NZ-OE1 2.79Å; K377-E379 PolarHBondContact O-N 3.28Å; K377-E379 VanDerWaalsContact O-N 3.15Å; K377-S380 WeakPolarHBondContact O-CB 3.34Å; K377-S380 PolarHBondContact O-N 2.97Å; K377-S380 PolarHBondContact O-OG 2.96Å
378	P	87.8	Confident	88.7	Confident	81 Å²	81	58 Å²	58	53%	0.526	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.7	176.6	-27.2	36	0	0	0	113.6	S380 C381	P378-S380 PolarHBondContact O-N 2.89Å; P378-C381 CarbonylContact O-C 3.5Å; P378-C381 PolarHBondContact O-N 2.9Å; P378-C381 VanDerWaalsContact O-O 3.09Å
379	E	88.5	Confident	87.9	Confident	92 Å²	92	54.1 Å²	54.1	43%	0.43	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-70.4	-10.9	176.4	63.4	-94.5	-149.5	0	0	114.7	Q344 K377 C381	Q344-E379 PolarHBondContact NE2-O 3.48Å; K377-E379 HydrophobicContact CB-CG 4.03Å; K377-E379 WeakPolarHBondContact CB-OE1 2.98Å; K377-E379 VanDerWaalsContact CB-OE2 3.26Å; K377-E379 WeakPolarHBondContact CB-OE2 3.24Å; K377-E379 WeakPolarHBondContact CD-OE1 3.21Å; K377-E379 IonicContact NZ-OE1 2.79Å; K377-E379 PolarHBondContact O-N 3.28Å; K377-E379 VanDerWaalsContact O-N 3.15Å; E379-C381 VanDerWaalsContact C-N 3.33Å
380	S	87.8	Confident	86.4	Confident	20 Å²	20	51.7 Å²	51.7	14%	0.14	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-69.3	-31	175.6	-65.1	0	0	0	0	111.9	H337 Q344 S345 K377 P378	H337-S380 PolarHBondContact CE1-O 3.24Å; Q344-S380 CarbonylContact C-O 3.57Å; Q344-S380 VanDerWaalsContact CA-O 3.28Å; Q344-S380 WeakPolarHBondContact CA-O 3.39Å; S345-S380 PolarHBondContact N-O 3.4Å; K377-S380 WeakPolarHBondContact O-CB 3.34Å; K377-S380 PolarHBondContact O-N 2.97Å; K377-S380 PolarHBondContact O-OG 2.96Å; P378-S380 PolarHBondContact O-N 2.89Å
381	C	90.2	Very high	85	Confident	9 Å²	9	52 Å²	52	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	110	170.7	-171.6	0	0	0	0	110.4	S345 L367 L371 P378 E379	S345-C381 CarbonylContact O-C 3.55Å; S345-C381 VanDerWaalsContact O-CA 3.3Å; S345-C381 WeakPolarHBondContact O-CA 3.35Å; L367-C381 HydrophobicContact CD1-CB 4.3Å; L367-C381 HydrophobicContact CD2-CB 4.39Å; L371-C381 HydrophobicContact CD1-CB 4.07Å; L371-C381 HydrophobicContact CD2-CB 4.08Å; P378-C381 CarbonylContact O-C 3.5Å; P378-C381 PolarHBondContact O-N 2.9Å; P378-C381 VanDerWaalsContact O-O 3.09Å; E379-C381 VanDerWaalsContact C-N 3.33Å
382	V	88.6	Confident	83.9	Confident	30 Å²	30	56.9 Å²	56.9	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.8	-172.9	-63	0	0	0	0	111.9	S345 V346 A347 P390	S345-V382 WeakPolarHBondContact O-CG2 3.34Å; S345-V382 PolarHBondContact O-N 3.49Å; V346-V382 WeakPolarHBondContact CA-O 3.47Å; A347-V382 PolarHBondContact N-O 2.79Å; V382-P390 HydrophobicContact CG2-CB 3.91Å
383	T	83.5	Confident	82.2	Confident	56 Å²	56	52.2 Å²	52.2	34%	0.344	29%	0.292	S	S	.	.			trans	-99.8	132.4	166.7	52.5	0	0	0	0	108.8	I314 A347 W350 P364 L367	I314-T383 HydrophobicContact CD1-CG2 4.29Å; A347-T383 HydrophobicContact CB-CG2 3.74Å; W350-T383 HydrophobicContact CZ2-CG2 4.22Å; P364-T383 HydrophobicContact CB-CG2 3.93Å; P364-T383 HydrophobicContact CG-CG2 4.21Å; L367-T383 HydrophobicContact CD2-CG2 3.76Å
384	G	76.5	Confident	80.4	Confident	11 Å²	11	51.6 Å²	51.6	11%	0.113	29%	0.29	C	S	.	.			trans	-104.2	177.2	174.1	0	0	0	0	0	112.4	W135 S388	W135-G384 WeakPolarHBondContact CZ3-O 3.4Å; G384-S388 WeakPolarHBondContact CA-OG 3.23Å
385	S	75.8	Confident	78	Confident	32 Å²	32	49 Å²	49	22%	0.224	28%	0.283	C	S	.	.			trans	-96.6	150.1	160	-69.7	0	0	0	0	108.5	P112 G387 S388	P112-S385 WeakPolarHBondContact O-CB 3.4Å; S385-G387 PolarHBondContact O-N 3.49Å; S385-S388 PolarHBondContact N-OG 3.31Å; S385-S388 VanDerWaalsContact O-CB 3.31Å; S385-S388 WeakPolarHBondContact O-CB 3.24Å; S385-S388 PolarHBondContact O-N 2.92Å; S385-S388 PolarHBondContact O-OG 3.06Å
386	P	73.9	Confident	75.1	Confident	1 Å²	1	48 Å²	48	1%	0.006	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.3	174.7	-25.6	35.1	0	0	0	110.7	V113 L114 W135	V113-P386 HydrophobicContact CG1-CB 4.41Å; V113-P386 HydrophobicContact CG2-CB 4.39Å; L114-P386 PolarHBondContact N-O 3.32Å; W135-P386 HydrophobicContact CE3-CG 4.35Å; W135-P386 HydrophobicContact CH2-CG 4.27Å; W135-P386 HydrophobicContact CZ3-CG 3.91Å
387	G	64.6	Low	72.3	Confident	2 Å²	2	51 Å²	51	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-8.5	-176.2	0	0	0	0	0	115.5	L114 W135 P175 S385	L114-G387 WeakPolarHBondContact O-CA 3.4Å; W135-G387 WeakPolarHBondContact O-CA 3.47Å; W135-G387 PolarHBondContact O-N 3.49Å; P175-G387 VanDerWaalsContact CB-CA 3.5Å; S385-G387 PolarHBondContact O-N 3.49Å
388	S	79.1	Confident	69.6	Low	23 Å²	23	48.8 Å²	48.8	16%	0.161	29%	0.287	C	S	.	.			trans	-72.8	152.1	173.6	82.1	0	0	0	0	111.1	T134 W135 G384 S385 P390	T134-S388 WeakPolarHBondContact CA-O 3.33Å; T134-S388 WeakPolarHBondContact CG2-O 3.5Å; W135-S388 PolarHBondContact N-O 3.49Å; G384-S388 WeakPolarHBondContact CA-OG 3.23Å; S385-S388 PolarHBondContact N-OG 3.31Å; S385-S388 VanDerWaalsContact O-CB 3.31Å; S385-S388 WeakPolarHBondContact O-CB 3.24Å; S385-S388 PolarHBondContact O-N 2.92Å; S385-S388 PolarHBondContact O-OG 3.06Å; S388-P390 VanDerWaalsContact C-CD 3.41Å; S388-P390 WeakPolarHBondContact O-CD 3.16Å
389	S	81.1	Confident	67.1	Low	42 Å²	42	49 Å²	49	29%	0.294	28%	0.284	S	S	.	.			trans	-101.7	79.7	167.3	-54.6	0	0	0	0	109.4	Y117 V133 T134 H391	Y117-S389 VanDerWaalsContact CD1-OG 3.29Å; Y117-S389 WeakPolarHBondContact CD1-OG 3.4Å; V133-S389 CarbonylContact O-C 3.38Å; V133-S389 WeakPolarHBondContact O-CA 3.44Å; V133-S389 WeakPolarHBondContact O-CB 3.41Å; T134-S389 PolarHBondContact OG1-OG 2.79Å; S389-H391 PolarHBondContact O-N 3.11Å
390	P	65.8	Low	64.8	Low	38 Å²	38	48.6 Å²	48.6	25%	0.247	29%	0.288	C	S	.	.			trans	-66.8	-11.4	-171.1	30	-38.2	0	0	0	113.1	V133 V346 V382 S388	V133-P390 WeakPolarHBondContact O-CD 3.41Å; V346-P390 HydrophobicContact CG2-CG 3.78Å; V382-P390 HydrophobicContact CG2-CB 3.91Å; S388-P390 VanDerWaalsContact C-CD 3.41Å; S388-P390 WeakPolarHBondContact O-CD 3.16Å
391	H	69.4	Low	62.2	Low	9 Å²	9	51.6 Å²	51.6	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.9	179.2	-173.7	73.2	0	0	0	112	R132 V133 L309 Q344 S389 M393	R132-H391 WeakPolarHBondContact CA-O 3.42Å; V133-H391 PolarHBondContact N-O 2.93Å; L309-H391 HydrophobicContact CD1-CB 4.41Å; L309-H391 HydrophobicContact CD2-CB 4.4Å; Q344-H391 PolarHBondContact OE1-CE1 3.4Å; Q344-H391 PolarHBondContact OE1-ND1 3.01Å; S389-H391 PolarHBondContact O-N 3.11Å; H391-M393 WeakPolarHBondContact CE1-CE 3.14Å; H391-M393 WeakPolarHBondContact NE2-CE 3.43Å; H391-M393 WeakPolarHBondContact NE2-CG 3.29Å
392	K	72.5	Confident	59.6	Low	105 Å²	105	57.8 Å²	57.8	46%	0.457	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	108.4	169.2	-169.7	-171.9	-174.7	-160.1	0	108.2	R132 E394	R132-K392 HydrophobicContact CB-CG 4.46Å; K392-E394 HydrophobicContact CD-CG 4.33Å; K392-E394 WeakPolarHBondContact CE-OE1 3.41Å; K392-E394 HydrophobicContact CG-CG 4.39Å; K392-E394 IonicContact NZ-OE1 4Å; K392-E394 PolarHBondContact NZ-OE1 3.48Å
393	M	63.3	Low	57.2	Low	47 Å²	47	60.7 Å²	60.7	23%	0.232	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116	167.5	-103.4	-174.2	-90.4	0	0	108.4	G130 M131 D308 H391	G130-M393 WeakPolarHBondContact CA-O 3.44Å; M131-M393 HydrophobicContact CE-CE 3.6Å; M131-M393 PolarHBondContact N-O 3Å; M131-M393 VanDerWaalsContact N-O 3.15Å; M131-M393 PolarHBondContact O-N 2.62Å; D308-M393 HydrophobicContact CB-CE 3.79Å; H391-M393 WeakPolarHBondContact CE1-CE 3.14Å; H391-M393 WeakPolarHBondContact NE2-CE 3.43Å; H391-M393 WeakPolarHBondContact NE2-CG 3.29Å
394	E	58.9	Low	55.1	Low	135 Å²	135	65.1 Å²	65.1	63%	0.631	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.7	170	-65.4	-178.3	174.2	0	0	108.5	K392 S396	K392-E394 HydrophobicContact CD-CG 4.33Å; K392-E394 WeakPolarHBondContact CE-OE1 3.41Å; K392-E394 HydrophobicContact CG-CG 4.39Å; K392-E394 IonicContact NZ-OE1 4Å; K392-E394 PolarHBondContact NZ-OE1 3.48Å; E394-S396 PolarHBondContact O-N 3.33Å
395	T	45.5	Very low	53.1	Low	50 Å²	50	71.1 Å²	71.1	31%	0.307	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-70.1	119.3	170.3	57.8	0	0	0	0	108.4	A129 S397	A129-T395 WeakPolarHBondContact CB-OG1 2.97Å; A129-T395 PolarHBondContact O-N 2.75Å; A129-T395 PolarHBondContact O-OG1 3.11Å; T395-S397 PolarHBondContact O-N 3.39Å
396	S	36.7	Very low	51.3	Low	49 Å²	49	76.8 Å²	76.8	34%	0.343	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-58.9	130.4	174.6	81	0	0	0	0	109.7	E394 T398 D399	E394-S396 PolarHBondContact O-N 3.33Å; S396-T398 VanDerWaalsContact CB-OG1 3.29Å; S396-T398 WeakPolarHBondContact CB-OG1 3.18Å; S396-T398 PolarHBondContact O-N 3.36Å; S396-T398 PolarHBondContact OG-OG1 3.02Å; S396-D399 PolarHBondContact O-N 2.7Å; S396-D399 PolarHBondContact OG-OD2 3.26Å
397	S	36.2	Very low	49.8	Very low	106 Å²	106	82.1 Å²	82.1	74%	0.741	44%	0.439	S	S	*	.	H	α-helix	trans	-58.2	-12	175.9	47.7	0	0	0	0	113.3	T395	T395-S397 PolarHBondContact O-N 3.39Å
398	T	36.2	Very low	48.6	Very low	86 Å²	86	90 Å²	90	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-71.3	-26.7	173	28.8	0	0	0	0	114.9	S396	S396-T398 VanDerWaalsContact CB-OG1 3.29Å; S396-T398 WeakPolarHBondContact CB-OG1 3.18Å; S396-T398 PolarHBondContact O-N 3.36Å; S396-T398 PolarHBondContact OG-OG1 3.02Å
399	D	36.2	Very low	46.8	Very low	87 Å²	87	98.6 Å²	98.6	47%	0.465	50%	0.501	S	S	.	.	H	α-helix	trans	-84.3	-32.6	-177.3	-69.1	-40.2	0	0	0	112.8	S396 C401 K402 T403	S396-D399 PolarHBondContact O-N 2.7Å; S396-D399 PolarHBondContact OG-OD2 3.26Å; D399-C401 PolarHBondContact O-N 2.95Å; D399-K402 PolarHBondContact O-N 2.71Å; D399-K402 IonicContact OD1-NZ 3.92Å; D399-T403 PolarHBondContact O-OG1 3.09Å
400	V	38.4	Very low	44.9	Very low	83 Å²	83	103 Å²	103	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-29.7	172.9	-178.3	0	0	0	0	111.7
401	C	33.7	Very low	43.9	Very low	82 Å²	82	110 Å²	110	55%	0.554	55%	0.548	S	S	*	.	H	α-helix	trans	-76.6	-30.5	179.7	-116.8	0	0	0	0	113.1	D399 H405	D399-C401 PolarHBondContact O-N 2.95Å; C401-H405 PolarHBondContact O-N 3.06Å
402	K	35	Very low	42.7	Very low	139 Å²	139	117.9 Å²	117.9	60%	0.604	60%	0.596	S	S	*	*	H	α-helix	trans	-70.9	-38.4	178.6	-73.4	174.7	-175.3	165.9	0	112.1	D399 K404 H405 F406	D399-K402 PolarHBondContact O-N 2.71Å; D399-K402 IonicContact OD1-NZ 3.92Å; K402-K404 PolarHBondContact O-N 3.09Å; K402-H405 PolarHBondContact O-N 2.64Å; K402-F406 PolarHBondContact O-N 3.11Å; K402-F406 VanDerWaalsContact O-N 3.13Å
403	T	38.3	Very low	41.2	Very low	91 Å²	91	118.6 Å²	118.6	56%	0.558	60%	0.603	S	S	*	*	H	α-helix	trans	-68.5	-35.2	178.5	-31.5	0	0	0	0	111.8	D399 I407	D399-T403 PolarHBondContact O-OG1 3.09Å; T403-I407 PolarHBondContact O-N 3.23Å
404	K	39.6	Very low	40	Very low	150 Å²	150	122.3 Å²	122.3	65%	0.652	62%	0.623	S	S	*	*	H	α-helix	trans	-70.4	-32	174.1	-74.5	-176.3	178.6	178	0	113.2	K402 K408	K402-K404 PolarHBondContact O-N 3.09Å; K404-K408 PolarHBondContact O-N 3.19Å
405	H	35.8	Very low	39	Very low	136 Å²	136	121.6 Å²	121.6	63%	0.63	62%	0.623	S	S	*	*	H	α-helix	trans	-74.5	-30.4	176.4	-107.5	62.9	0	0	0	113.3	C401 K402 R409	C401-H405 PolarHBondContact O-N 3.06Å; K402-H405 PolarHBondContact O-N 2.64Å; H405-R409 PolarHBondContact O-N 3.18Å
406	F	36.9	Very low	38.6	Very low	151 Å²	151	125.8 Å²	125.8	66%	0.662	64%	0.641	S	S	*	*	H	α-helix	trans	-71.7	-38.3	177.9	-146.3	-96.1	0	0	0	112.3	K402 K408 R409 L410	K402-F406 PolarHBondContact O-N 3.11Å; K402-F406 VanDerWaalsContact O-N 3.13Å; F406-K408 VanDerWaalsContact C-N 3.29Å; F406-K408 PolarHBondContact O-N 3.41Å; F406-R409 PolarHBondContact O-N 2.68Å; F406-L410 HydrophobicContact CD1-CD1 4.16Å; F406-L410 HydrophobicContact CE1-CD1 4.2Å
407	I	42.6	Very low	38.7	Very low	114 Å²	114	130.6 Å²	130.6	59%	0.585	66%	0.66	S	S	*	*	H	α-helix	trans	-69.9	-26.4	177.7	-65.4	174.2	0	0	0	112.1	T403	T403-I407 PolarHBondContact O-N 3.23Å
408	K	39.9	Very low	38.9	Very low	168 Å²	168	132.3 Å²	132.3	73%	0.73	65%	0.654	S	S	*	*	H	α-helix	trans	-79.8	-20.5	178.7	-144.3	176.8	-174.9	-177.4	0	113.6	K404 F406	K404-K408 PolarHBondContact O-N 3.19Å; F406-K408 VanDerWaalsContact C-N 3.29Å; F406-K408 PolarHBondContact O-N 3.41Å
409	R	40.9	Very low	39.1	Very low	203 Å²	203	135.6 Å²	135.6	77%	0.766	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-6.6	177.1	-90.2	-173	176.4	-171.7	-0.4	115	H405 F406	H405-R409 PolarHBondContact O-N 3.18Å; F406-R409 PolarHBondContact O-N 2.68Å
410	L	42.2	Very low	39.3	Very low	134 Å²	134	139.3 Å²	139.3	70%	0.702	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	7.4	176	-76.6	162.7	0	0	0	113.2	F406	F406-L410 HydrophobicContact CD1-CD1 4.16Å; F406-L410 HydrophobicContact CE1-CD1 4.2Å
411	K	43.5	Very low	39.4	Very low	186 Å²	186	144 Å²	144	81%	0.809	69%	0.693	S	S	*	*			trans	-124.7	18.9	178.5	-71.7	-167.6	176.3	-175.5	0	114
412	T	44.2	Very low	39.9	Very low	174 Å²	174	149.6 Å²	149.6	100%	1.067	71%	0.706	S	S	*	*			trans	-133.5	0	169.5	51	0	0	0	0	107.5

Retrieved 412 of 412 residues in 153.4 ms (Link to these results)

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