A0A087YG99_POEFO Loading...

Proteasome subunit beta

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex). Within the 20S core complex, PSMB5 displays a chymotrypsin-like activity. Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. The proteasome is a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. This subunit is involved in antigen processing to generate class I binding peptides.

AlphaFold DB , UniProt , Accession A0A087YG99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.8	Very low	33.6	Very low	252 Å²	252	138.2 Å²	138.2	100%	1.241	85%	0.851	S	S	*	*				0	88.9	0	-81.1	-155.6	-127	0	0	109.3
2	A	34.4	Very low	33.4	Very low	96 Å²	96	137.3 Å²	137.3	79%	0.793	85%	0.849	S	S	*	*			trans	-176.6	85	162.5	0	0	0	0	0	106.8
3	L	30.9	Very low	33.1	Very low	169 Å²	169	139.1 Å²	139.1	89%	0.885	85%	0.85	S	S	*	*			trans	-173.4	42.3	165.1	-104.6	161.1	0	0	0	110
4	A	30.7	Very low	33.1	Very low	104 Å²	104	144.6 Å²	144.6	86%	0.86	86%	0.857	S	S	*	*			trans	-113.1	10.9	177.8	0	0	0	0	0	113.1
5	S	32.7	Very low	32.9	Very low	103 Å²	103	142 Å²	142	72%	0.72	85%	0.849	S	S	*	*	S	Bend	trans	-115.2	22.5	-171.1	67.2	0	0	0	0	115.3
6	V	37.8	Very low	33	Very low	122 Å²	122	139.4 Å²	139.4	74%	0.739	84%	0.839	S	S	*	*	S	Bend	trans	-126.9	27.4	178.4	-163.7	0	0	0	0	112
7	L	32.3	Very low	32.8	Very low	174 Å²	174	139.2 Å²	139.2	91%	0.911	83%	0.833	S	S	*	*			trans	-127.9	28	177.2	-73	176.7	0	0	0	113.9
8	S	35.7	Very low	32.6	Very low	109 Å²	109	143.8 Å²	143.8	76%	0.762	84%	0.835	S	S	*	*			trans	-120	82.5	163.1	37.4	0	0	0	0	108.8
9	S	29.7	Very low	32.4	Very low	110 Å²	110	148.6 Å²	148.6	77%	0.769	84%	0.838	S	S	*	*			trans	-119.9	106.5	159.6	59.5	0	0	0	0	107.1
10	D	33	Very low	32.3	Very low	157 Å²	157	150.3 Å²	150.3	84%	0.84	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-55.9	140	173.6	-67.9	-47.4	0	0	0	110.4
11	C	29.5	Very low	32.3	Very low	124 Å²	124	148.4 Å²	148.4	84%	0.838	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-64.5	127.6	174.2	-65.6	0	0	0	0	109.3
12	P	31.2	Very low	31.6	Very low	127 Å²	127	146.6 Å²	146.6	83%	0.825	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.4	123.5	167.2	20.7	-12.2	0	0	0	109.8
13	D	29.8	Very low	31.3	Very low	161 Å²	161	146.8 Å²	146.8	86%	0.861	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-56.5	141.3	172.4	-93.4	-39.6	0	0	0	112.2	S15	D13-S15 PolarHBondContact O-N 2.83Å
14	F	32.3	Very low	31.2	Very low	217 Å²	217	149 Å²	149	95%	0.952	82%	0.823	S	S	*	*			trans	-86.1	94.9	175.7	-146	-92.2	0	0	0	108.6
15	S	30	Very low	31	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	82%	0.821	S	S	*	*			trans	-144.5	140.5	164.5	66.5	0	0	0	0	112.9	D13	D13-S15 PolarHBondContact O-N 2.83Å
16	S	34.4	Very low	30.7	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	83%	0.832	S	S	*	*			trans	-47.7	128.3	-179.9	53.7	0	0	0	0	115.1
17	D	29.8	Very low	30.1	Very low	137 Å²	137	146.8 Å²	146.8	73%	0.733	83%	0.827	S	S	*	*				166.3	131.1	118.1	-92	-29.6	0	0	0	109.8
18	Y	29	Very low	29.9	Very low	222 Å²	222	144.5 Å²	144.5	87%	0.871	83%	0.826	S	S	*	*				159	105.4	125.6	-98.5	-87.6	0	0	0	109.8
19	R	29.2	Very low	29.4	Very low	234 Å²	234	142.9 Å²	142.9	88%	0.883	83%	0.827	S	S	*	*			trans	-54.8	141.3	156	-65.2	175.9	-179.1	-176	-0	108.9
20	Q	30.8	Very low	29.2	Very low	183 Å²	183	146.8 Å²	146.8	86%	0.855	83%	0.833	S	S	*	*				-175.5	152.2	120.4	-85.8	-110.3	-18.4	0	0	111.2
21	P	32.8	Very low	28.8	Very low	111 Å²	111	146 Å²	146	72%	0.721	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-98.3	150.1	-163.1	17.3	2.2	0	0	0	113.8
22	F	27.6	Very low	28.6	Very low	213 Å²	213	148.8 Å²	148.8	93%	0.934	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-75.4	131.8	172.5	-80.3	-89.5	0	0	0	111.8
23	A	28	Very low	28.3	Very low	100 Å²	100	146.6 Å²	146.6	83%	0.826	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-95.4	133.2	174.5	0	0	0	0	0	111.4
24	F	28.6	Very low	28.1	Very low	216 Å²	216	148.4 Å²	148.4	95%	0.947	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-87.8	137.9	168.8	-107.9	-97.7	0	0	0	109.9
25	G	26.2	Very low	27.6	Very low	80 Å²	80	143 Å²	143	83%	0.825	82%	0.822	S	S	*	*			trans	-143.2	123.8	171.2	0	0	0	0	0	111.2
26	C	27.6	Very low	27.4	Very low	140 Å²	140	147.4 Å²	147.4	95%	0.946	83%	0.831	S	S	*	*			trans	-118.8	146.2	-177.4	-176	0	0	0	0	109.8
27	G	25.3	Very low	27.1	Very low	62 Å²	62	147.7 Å²	147.7	64%	0.639	84%	0.84	S	S	*	*			trans	152.5	111.8	168.5	0	0	0	0	0	111
28	S	26.8	Very low	26.9	Very low	127 Å²	127	144.5 Å²	144.5	89%	0.888	84%	0.839	S	S	*	*				88.6	106.9	63.8	68.6	0	0	0	0	115.1
29	G	24.8	Very low	27.2	Very low	75 Å²	75	140.7 Å²	140.7	77%	0.773	84%	0.841	S	S	*	*			trans	106.2	118.3	133.4	0	0	0	0	0	122.5
30	Q	25.3	Very low	27.3	Very low	192 Å²	192	132.9 Å²	132.9	90%	0.897	83%	0.834	S	S	*	*			trans	96.5	121.5	135.9	-60.7	-174.5	-10.9	0	0	123.7
31	N	25.2	Very low	27.7	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	84%	0.836	S	S	*	*			trans	26.3	150.1	139.8	-73.2	18.6	0	0	0	121.4
32	E	25.8	Very low	27.7	Very low	182 Å²	182	132.9 Å²	132.9	85%	0.85	84%	0.835	S	S	*	*			cis	-174.7	161.8	29.6	-126.6	160	-129.4	0	0	109.8
33	G	23.8	Very low	28.3	Very low	81 Å²	81	130.7 Å²	130.7	84%	0.835	83%	0.832	S	S	*	*			trans	137.4	108.8	155.2	0	0	0	0	0	118.8
34	E	25.9	Very low	28.5	Very low	199 Å²	199	130.5 Å²	130.5	93%	0.93	83%	0.825	S	S	*	*			trans	-80.5	155.1	173.2	-65.8	174.2	138.7	0	0	113.8
35	S	23.4	Very low	28.7	Very low	104 Å²	104	129.4 Å²	129.4	73%	0.727	82%	0.82	S	S	*	*				175.3	133.4	123.3	-163.1	0	0	0	0	115.2
36	E	25.4	Very low	28.9	Very low	198 Å²	198	130.4 Å²	130.4	93%	0.925	81%	0.813	S	S	*	*			trans	75.2	142.7	143.9	-81.8	179.8	175.9	0	0	125.5
37	A	27	Very low	29.4	Very low	106 Å²	106	128.7 Å²	128.7	88%	0.876	80%	0.798	S	S	*	*			trans	-109	158.7	-162.6	0	0	0	0	0	114
38	G	26.2	Very low	29.6	Very low	69 Å²	69	135 Å²	135	71%	0.711	81%	0.808	S	S	*	*			trans	-167.1	134.3	164.3	0	0	0	0	0	111.9
39	P	36.3	Very low	30.1	Very low	143 Å²	143	134 Å²	134	93%	0.929	79%	0.792	S	S	*	*			trans	-93	120.7	-162.9	35	-29.6	0	0	0	111.7
40	G	30.4	Very low	30.7	Very low	70 Å²	70	135.6 Å²	135.6	72%	0.722	79%	0.792	S	S	*	*			trans	-126.2	104.6	167.6	0	0	0	0	0	108.7	S42	G40-S42 VanDerWaalsContact C-N 3.27Å; G40-S42 PolarHBondContact O-N 3.15Å
41	E	38.7	Very low	31.6	Very low	193 Å²	193	132.6 Å²	132.6	90%	0.902	78%	0.781	S	S	*	*			trans	-61.2	90.4	170.5	-75.3	-175.1	152.2	0	0	109.7	L43	E41-L43 PolarHBondContact O-N 3.28Å
42	S	34	Very low	32.3	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	79%	0.787	S	S	*	*			trans	-81.2	104.3	157.5	173.7	0	0	0	0	106.6	G40 S44	G40-S42 VanDerWaalsContact C-N 3.27Å; G40-S42 PolarHBondContact O-N 3.15Å; S42-S44 PolarHBondContact O-N 3.14Å
43	L	40.4	Very low	32.7	Very low	167 Å²	167	129.6 Å²	129.6	87%	0.874	78%	0.783	S	S	*	*			trans	-61.9	82.6	164.1	-73.4	169.2	0	0	0	108.1	E41 F45	E41-L43 PolarHBondContact O-N 3.28Å; L43-F45 PolarHBondContact O-N 3.44Å
44	S	31.2	Very low	33.3	Very low	96 Å²	96	128.9 Å²	128.9	67%	0.671	78%	0.775	S	S	*	*			trans	-68.6	101	169.1	62.9	0	0	0	0	107.4	S42 C46	S42-S44 PolarHBondContact O-N 3.14Å; S44-C46 PolarHBondContact O-N 3.36Å
45	F	32.7	Very low	34.1	Very low	194 Å²	194	127.8 Å²	127.8	85%	0.851	78%	0.776	S	S	*	*			trans	-72	65	159.2	-158.1	-90.8	0	0	0	107.5	L43 V47	L43-F45 PolarHBondContact O-N 3.44Å; F45-V47 HydrophobicContact CD1-CG2 4.29Å; F45-V47 HydrophobicContact CE1-CG2 4.2Å; F45-V47 PolarHBondContact O-N 3.25Å
46	C	30.2	Very low	35.1	Very low	100 Å²	100	131 Å²	131	68%	0.676	78%	0.78	S	S	*	*			trans	-74.6	98.7	170.7	-162	0	0	0	0	105.6	S44 K48	S44-C46 PolarHBondContact O-N 3.36Å; C46-K48 PolarHBondContact O-N 2.57Å
47	V	38.8	Very low	35.9	Very low	104 Å²	104	128.8 Å²	128.8	63%	0.63	77%	0.774	S	S	*	*			trans	-47.5	114	155.1	173.2	0	0	0	0	104.6	F45 N49	F45-V47 HydrophobicContact CD1-CG2 4.29Å; F45-V47 HydrophobicContact CE1-CG2 4.2Å; F45-V47 PolarHBondContact O-N 3.25Å; V47-N49 PolarHBondContact O-N 3.03Å
48	K	28.7	Very low	36.7	Very low	195 Å²	195	128.1 Å²	128.1	85%	0.848	78%	0.777	S	S	*	*			trans	-57.7	92.8	170.5	-78.3	-178.3	177.2	179.4	0	106.3	C46 S50	C46-K48 PolarHBondContact O-N 2.57Å; K48-S50 PolarHBondContact O-N 3.07Å
49	N	38.5	Very low	37.8	Very low	105 Å²	105	130.2 Å²	130.2	56%	0.561	78%	0.776	S	S	*	*			trans	-66.8	106.7	167.7	-156.8	18.5	0	0	0	103.5	V47 L51	V47-N49 PolarHBondContact O-N 3.03Å; N49-L51 PolarHBondContact O-N 3.11Å
50	S	36.9	Very low	38.5	Very low	109 Å²	109	132.1 Å²	132.1	76%	0.762	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	12.1	176.4	52	0	0	0	0	112.9	K48	K48-S50 PolarHBondContact O-N 3.07Å
51	L	45.1	Very low	39.5	Very low	129 Å²	129	140.1 Å²	140.1	68%	0.675	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	5.4	-178.5	-63.5	-177.7	0	0	0	114.3	N49	N49-L51 PolarHBondContact O-N 3.11Å
52	L	39.4	Very low	40.3	Very low	168 Å²	168	140 Å²	140	88%	0.88	78%	0.777	S	S	*	*			trans	-131.4	47.5	176.3	-65.2	175.1	0	0	0	112.3
53	A	34.5	Very low	41.8	Very low	91 Å²	91	141.1 Å²	141.1	75%	0.752	77%	0.774	S	S	*	*	S	Bend	trans	-107.3	108	162.9	0	0	0	0	0	108.5
54	G	35.1	Very low	42.8	Very low	66 Å²	66	141.2 Å²	141.2	68%	0.68	77%	0.77	S	S	*	*			trans	59.5	105.5	155.6	0	0	0	0	0	117.7	E56	G54-E56 PolarHBondContact O-N 3.06Å
55	D	42.8	Very low	44.4	Very low	177 Å²	177	140.2 Å²	140.2	95%	0.947	75%	0.754	S	S	*	*			trans	-68.4	62.3	155.5	-104.9	-14.9	0	0	0	110.2
56	E	45	Very low	45.9	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.804	74%	0.739	S	S	*	*			trans	-127.4	125.5	170.7	-64.5	-159.3	156.3	0	0	110.4	G54	G54-E56 PolarHBondContact O-N 3.06Å
57	D	41.6	Very low	47.7	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	73%	0.726	S	S	*	*	S	Bend	trans	76.5	125	179.7	-60	-32.6	0	0	0	117.9	V59	D57-V59 PolarHBondContact O-N 3.41Å
58	G	44	Very low	49.5	Very low	91 Å²	91	130.7 Å²	130.7	94%	0.938	70%	0.7	S	S	*	*			trans	-65.1	68	177.9	0	0	0	0	0	113.5	E60	G58-E60 PolarHBondContact O-N 2.84Å
59	V	48.7	Very low	52.4	Low	114 Å²	114	122.1 Å²	122.1	69%	0.691	66%	0.664	S	S	*	*			trans	-76.8	104.9	170.9	-176.4	0	0	0	0	107.1	D57 R61	D57-V59 PolarHBondContact O-N 3.41Å; V59-R61 PolarHBondContact O-N 3.1Å
60	E	52.2	Low	55.2	Low	183 Å²	183	117.1 Å²	117.1	86%	0.855	64%	0.637	S	S	*	*			trans	-42.9	108.6	157.7	-103	-178.6	162.1	0	0	107.5	G58 K62	G58-E60 PolarHBondContact O-N 2.84Å; E60-K62 PolarHBondContact O-N 2.94Å
61	R	50	Low	58.1	Low	238 Å²	238	111.9 Å²	111.9	90%	0.898	60%	0.601	S	S	*	*			trans	-67	86.9	174.8	-71.3	-173.2	-170.2	171.2	3.9	107.4	V59 I63	V59-R61 PolarHBondContact O-N 3.1Å; R61-I63 PolarHBondContact O-N 3.46Å
62	K	57.3	Low	60.6	Low	189 Å²	189	105.8 Å²	105.8	82%	0.822	57%	0.569	S	S	*	*			trans	-62.5	118.9	176.7	-161.3	172.7	-174.4	176.7	0	106.7	E60 E64	E60-K62 PolarHBondContact O-N 2.94Å; K62-E64 PolarHBondContact O-N 3.47Å
63	I	64.7	Low	63.4	Low	124 Å²	124	97.8 Å²	97.8	64%	0.636	53%	0.527	S	S	*	.			trans	-59.4	111.2	173.5	-62.8	173.3	0	0	0	106.5	R61 F65	R61-I63 PolarHBondContact O-N 3.46Å; I63-F65 HydrophobicContact CB-CE2 4.32Å; I63-F65 HydrophobicContact CB-CZ 4.26Å; I63-F65 HydrophobicContact CG2-CD1 4.32Å; I63-F65 HydrophobicContact CG2-CE1 4.01Å; I63-F65 HydrophobicContact CG2-CE2 4.34Å; I63-F65 HydrophobicContact CG2-CZ 4.02Å; I63-F65 WeakPolarHBondContact O-CD2 3.3Å; I63-F65 PolarHBondContact O-N 2.95Å; I63-F65 VanDerWaalsContact O-N 3.08Å
64	E	61.2	Low	66.4	Low	170 Å²	170	93.4 Å²	93.4	79%	0.794	49%	0.491	S	S	*	.			trans	-72.3	102.7	173.4	-72.4	-169.1	168.3	0	0	108.3	K62 L66	K62-E64 PolarHBondContact O-N 3.47Å; E64-L66 PolarHBondContact O-N 3.46Å
65	F	65.1	Low	69.3	Low	74 Å²	74	91.7 Å²	91.7	33%	0.325	47%	0.465	S	S	.	.			trans	-72.5	113.9	172.5	-65.3	-76.9	0	0	0	108.6	I63 H67 G162	I63-F65 HydrophobicContact CB-CE2 4.32Å; I63-F65 HydrophobicContact CB-CZ 4.26Å; I63-F65 HydrophobicContact CG2-CD1 4.32Å; I63-F65 HydrophobicContact CG2-CE1 4.01Å; I63-F65 HydrophobicContact CG2-CE2 4.34Å; I63-F65 HydrophobicContact CG2-CZ 4.02Å; I63-F65 WeakPolarHBondContact O-CD2 3.3Å; I63-F65 PolarHBondContact O-N 2.95Å; I63-F65 VanDerWaalsContact O-N 3.08Å; F65-H67 PolarHBondContact O-CE1 2.9Å; F65-H67 VanDerWaalsContact O-CE1 3.22Å; F65-H67 PolarHBondContact O-N 2.92Å; F65-H67 PolarHBondContact O-ND1 3.09Å; F65-G162 VanDerWaalsContact CE2-O 3.29Å; F65-G162 WeakPolarHBondContact CE2-O 3.22Å; F65-G162 WeakPolarHBondContact CZ-O 3.32Å
66	L	65.2	Low	71.9	Confident	103 Å²	103	83.4 Å²	83.4	54%	0.539	42%	0.42	S	S	.	.			trans	-87.3	104.2	169.2	-65.2	172.6	0	0	0	107.9	E64 G68 G91	E64-L66 PolarHBondContact O-N 3.46Å; L66-G68 PolarHBondContact O-N 3.11Å; L66-G91 VanDerWaalsContact CD1-CA 3.5Å
67	H	67.2	Low	74.2	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.407	41%	0.406	S	S	.	.			trans	-79.5	115.1	178.4	-51.4	77.3	0	0	0	108.7	F65 S164 S198	F65-H67 PolarHBondContact O-CE1 2.9Å; F65-H67 VanDerWaalsContact O-CE1 3.22Å; F65-H67 PolarHBondContact O-N 2.92Å; F65-H67 PolarHBondContact O-ND1 3.09Å; H67-S164 PolarHBondContact NE2-OG 3.07Å; H67-S198 VanDerWaalsContact O-CB 3.26Å; H67-S198 WeakPolarHBondContact O-CB 3.49Å; H67-S198 PolarHBondContact O-OG 3.02Å
68	G	75.6	Confident	76.7	Confident	7 Å²	7	77.3 Å²	77.3	7%	0.072	39%	0.387	C	S	.	.			trans	-126.9	83.4	176.6	0	0	0	0	0	111.1	L66 K101	L66-G68 PolarHBondContact O-N 3.11Å; G68-K101 PolarHBondContact O-NZ 3.37Å
69	T	91.2	Very high	79.2	Confident	15 Å²	15	73 Å²	73	9%	0.092	34%	0.342	C	S	.	.			trans	-167.7	148.5	-172.3	-69.8	0	0	0	0	111.6	T71 K101 A114 G197 S198 G199	T69-T71 HydrophobicContact CG2-CG2 3.62Å; T69-K101 HydrophobicContact CG2-CD 3.56Å; T69-K101 PolarHBondContact OG1-NZ 3.43Å; T69-A114 HydrophobicContact CG2-CB 4.37Å; T69-G197 CarbonylContact O-C 3.24Å; T69-G197 VanDerWaalsContact O-C 3.24Å; T69-G197 WeakPolarHBondContact O-CA 3.45Å; T69-S198 PolarHBondContact N-OG 2.89Å; T69-S198 PolarHBondContact O-N 2.97Å; T69-S198 PolarHBondContact O-OG 2.88Å; T69-G199 PolarHBondContact O-N 2.96Å
70	T	96.6	Very high	81.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	118.1	162.4	-56.5	0	0	0	0	110	D85 G199 A203 I228 A231 S238	T70-D85 PolarHBondContact N-OD1 3.34Å; T70-D85 PolarHBondContact O-N 2.89Å; T70-D85 VanDerWaalsContact O-N 3.15Å; T70-D85 VanDerWaalsContact O-OD1 3.1Å; T70-G199 WeakPolarHBondContact OG1-CA 3.22Å; T70-G199 PolarHBondContact OG1-N 3.42Å; T70-A203 HydrophobicContact CG2-CB 4.11Å; T70-I228 HydrophobicContact CG2-CD1 3.67Å; T70-A231 HydrophobicContact CG2-CB 3.78Å; T70-S238 PolarHBondContact N-OG 2.93Å; T70-S238 PolarHBondContact OG1-OG 2.9Å
71	T	97.3	Very high	83.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.3	171.1	61.3	0	0	0	0	109.8	T69 V84 M168 A195 V196	T69-T71 HydrophobicContact CG2-CG2 3.62Å; T71-V84 HydrophobicContact CG2-CB 4.06Å; T71-V84 HydrophobicContact CG2-CG1 3.56Å; T71-M168 VanDerWaalsContact OG1-CE 3.24Å; T71-M168 WeakPolarHBondContact OG1-CE 3.49Å; T71-A195 CarbonylContact O-C 3.52Å; T71-A195 VanDerWaalsContact O-CA 3.23Å; T71-A195 WeakPolarHBondContact O-CA 3.23Å; T71-V196 PolarHBondContact N-O 3.07Å; T71-V196 PolarHBondContact O-N 3.35Å; T71-V196 PolarHBondContact OG1-O 2.93Å
72	L	97.6	Very high	86	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	135.6	-178	169.8	71.8	0	0	0	108.7	F74 V82 A83 L193 F194 A195 M207 A227 I228	L72-F74 HydrophobicContact CD2-CD1 4.39Å; L72-F74 HydrophobicContact CD2-CE1 4.5Å; L72-F74 HydrophobicContact CG-CD1 4.36Å; L72-V82 WeakPolarHBondContact O-CA 3.23Å; L72-A83 HydrophobicContact CD2-CB 4.49Å; L72-A83 PolarHBondContact N-O 3.37Å; L72-A83 PolarHBondContact O-N 2.84Å; L72-A83 VanDerWaalsContact O-O 3.12Å; L72-L193 HydrophobicContact CD1-CD1 3.53Å; L72-F194 WeakPolarHBondContact CA-O 3.41Å; L72-A195 HydrophobicContact CD1-CB 4.05Å; L72-M207 HydrophobicContact CD1-CE 4.45Å; L72-M207 HydrophobicContact CD1-CG 3.76Å; L72-M207 HydrophobicContact CD1-SD 4.29Å; L72-M207 HydrophobicContact CD2-CE 4.34Å; L72-M207 HydrophobicContact CD2-CG 3.87Å; L72-M207 HydrophobicContact CD2-SD 3.56Å; L72-M207 VanDerWaalsContact CD2-SD 3.56Å; L72-M207 HydrophobicContact CG-CG 4.49Å; L72-A227 HydrophobicContact CD2-CB 3.81Å; L72-I228 HydrophobicContact CB-CD1 3.91Å
73	A	98.1	Very high	87.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.8	167.4	0	0	0	0	0	110.8	I81 V82 M168 L179 F194	A73-I81 VanDerWaalsContact CA-O 3.24Å; A73-I81 WeakPolarHBondContact CA-O 3.42Å; A73-V82 HydrophobicContact CB-CG2 4.13Å; A73-M168 HydrophobicContact CB-CE 4.22Å; A73-M168 HydrophobicContact CB-SD 3.7Å; A73-L179 HydrophobicContact CB-CD1 3.63Å; A73-L179 HydrophobicContact CB-CD2 4.24Å; A73-L179 WeakPolarHBondContact O-CD2 3.24Å; A73-F194 PolarHBondContact N-O 3.48Å; A73-F194 PolarHBondContact O-N 3.01Å
74	F	97.9	Very high	89.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148.6	176.9	66.5	-87.5	0	0	0	112.5	L72 V80 I81 D192 L193 M207 L211 A220	L72-F74 HydrophobicContact CD2-CD1 4.39Å; L72-F74 HydrophobicContact CD2-CE1 4.5Å; L72-F74 HydrophobicContact CG-CD1 4.36Å; F74-V80 WeakPolarHBondContact O-CA 3.31Å; F74-V80 WeakPolarHBondContact O-CG1 3.24Å; F74-I81 HydrophobicContact CD1-CB 4.25Å; F74-I81 HydrophobicContact CE1-CB 3.69Å; F74-I81 HydrophobicContact CE1-CG1 4.42Å; F74-I81 HydrophobicContact CE1-CG2 3.82Å; F74-I81 HydrophobicContact CE2-CB 4.23Å; F74-I81 HydrophobicContact CE2-CG1 4.25Å; F74-I81 HydrophobicContact CZ-CB 3.68Å; F74-I81 HydrophobicContact CZ-CG1 3.9Å; F74-I81 HydrophobicContact CZ-CG2 4.08Å; F74-I81 PolarHBondContact N-O 3.45Å; F74-I81 PolarHBondContact O-N 3.01Å; F74-D192 CarbonylContact C-O 3.55Å; F74-D192 WeakPolarHBondContact CA-O 3.3Å; F74-D192 WeakPolarHBondContact CB-O 3.45Å; F74-L193 HydrophobicContact CB-CB 4.35Å; F74-L193 HydrophobicContact CB-CD1 3.67Å; F74-M207 HydrophobicContact CB-CE 4.14Å; F74-M207 HydrophobicContact CD1-CE 3.25Å; F74-M207 HydrophobicContact CD1-SD 4.35Å; F74-M207 HydrophobicContact CD2-CE 4.11Å; F74-M207 HydrophobicContact CE1-CE 3.5Å; F74-M207 HydrophobicContact CE1-SD 4.27Å; F74-M207 HydrophobicContact CE2-CE 4.32Å; F74-M207 HydrophobicContact CG-CE 3.57Å; F74-M207 HydrophobicContact CZ-CE 4.03Å; F74-L211 HydrophobicContact CB-CD1 4.45Å; F74-L211 HydrophobicContact CD2-CD1 3.44Å; F74-L211 VanDerWaalsContact CD2-CD1 3.44Å; F74-L211 HydrophobicContact CE2-CD1 3.87Å; F74-L211 HydrophobicContact CG-CD1 4.12Å; F74-A220 HydrophobicContact CE2-CB 4.05Å; F74-A220 HydrophobicContact CZ-CB 4.09Å; F74-A220 WeakPolarHBondContact CZ-O 3.46Å
75	K	96.9	Very high	91.2	Very high	30 Å²	30	24.5 Å²	24.5	13%	0.13	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	148	176.2	-54.9	-173.6	-155.9	145.5	0	110.8	G79 V80 P177 L179 G191 D192	K75-G79 WeakPolarHBondContact CA-O 3.46Å; K75-V80 HydrophobicContact CG-CG2 4.15Å; K75-P177 HydrophobicContact CD-CB 4.34Å; K75-P177 HydrophobicContact CD-CG 4.43Å; K75-L179 HydrophobicContact CD-CB 4.27Å; K75-L179 HydrophobicContact CG-CB 3.97Å; K75-L179 HydrophobicContact CG-CD2 4.31Å; K75-G191 WeakPolarHBondContact CE-O 3.49Å; K75-G191 PolarHBondContact NZ-O 3.17Å; K75-D192 WeakPolarHBondContact CD-OD1 3.46Å; K75-D192 PolarHBondContact N-O 3.26Å; K75-D192 IonicContact NZ-OD1 3.9Å; K75-D192 PolarHBondContact NZ-OD1 3.41Å
76	F	95.8	Very high	92.7	Very high	2 Å²	2	21 Å²	21	1%	0.009	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	178.2	171.6	72.7	-65.7	0	0	0	109.2	H78 G79 I81 V217 A220 H246	F76-H78 HydrophobicContact CD2-CB 4.21Å; F76-H78 HydrophobicContact CE2-CB 3.52Å; F76-H78 AromaticContact CE2-CD2 3.91Å; F76-H78 HydrophobicContact CZ-CB 3.79Å; F76-H78 PolarHBondContact O-N 2.99Å; F76-G79 VanDerWaalsContact CD1-O 3.23Å; F76-G79 WeakPolarHBondContact CD1-O 3.42Å; F76-G79 PolarHBondContact N-O 2.98Å; F76-G79 PolarHBondContact O-N 2.82Å; F76-G79 VanDerWaalsContact O-O 3.06Å; F76-I81 HydrophobicContact CD1-CG1 4.18Å; F76-I81 HydrophobicContact CE1-CD1 3.87Å; F76-I81 HydrophobicContact CE1-CG1 3.62Å; F76-I81 HydrophobicContact CZ-CD1 4.12Å; F76-I81 HydrophobicContact CZ-CG1 4.18Å; F76-V217 HydrophobicContact CE2-CG2 4.18Å; F76-V217 HydrophobicContact CZ-CG2 4.29Å; F76-A220 HydrophobicContact CD1-CB 4.46Å; F76-A220 HydrophobicContact CD2-CB 4.01Å; F76-A220 HydrophobicContact CE1-CB 4.4Å; F76-A220 HydrophobicContact CE2-CB 3.88Å; F76-A220 HydrophobicContact CG-CB 4.3Å; F76-A220 HydrophobicContact CZ-CB 4.1Å; F76-H246 AromaticContact CZ-NE2 3.78Å
77	Q	93.6	Very high	94.2	Very high	109 Å²	109	18.4 Å²	18.4	51%	0.509	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.2	-174.8	-177.8	172.9	2.2	0	0	114.4	H213	Q77-H213 VanDerWaalsContact CB-O 3.3Å; Q77-H213 WeakPolarHBondContact CB-O 3.37Å; Q77-H213 PolarHBondContact N-O 2.81Å; Q77-H213 VanDerWaalsContact N-O 3.14Å
78	H	94.6	Very high	95.5	Very high	87 Å²	87	15.6 Å²	15.6	40%	0.403	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	15.3	-177.1	-52.7	-70.4	0	0	0	114.1	F76 V217 H246	F76-H78 HydrophobicContact CD2-CB 4.21Å; F76-H78 HydrophobicContact CE2-CB 3.52Å; F76-H78 AromaticContact CE2-CD2 3.91Å; F76-H78 HydrophobicContact CZ-CB 3.79Å; F76-H78 PolarHBondContact O-N 2.99Å; H78-V217 HydrophobicContact CB-CG2 3.84Å; H78-H246 PolarHBondContact O-NE2 3.2Å
79	G	95.6	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-134.9	171.8	0	0	0	0	0	114.2	K75 F76 V247	K75-G79 WeakPolarHBondContact CA-O 3.46Å; F76-G79 VanDerWaalsContact CD1-O 3.23Å; F76-G79 WeakPolarHBondContact CD1-O 3.42Å; F76-G79 PolarHBondContact N-O 2.98Å; F76-G79 PolarHBondContact O-N 2.82Å; F76-G79 VanDerWaalsContact O-O 3.06Å; G79-V247 VanDerWaalsContact CA-O 3.31Å; G79-V247 WeakPolarHBondContact CA-O 3.43Å
80	V	97.8	Very high	96.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.5	-177.7	-169.7	0	0	0	0	109.1	F74 K75 V82 C170 P177 V247	F74-V80 WeakPolarHBondContact O-CA 3.31Å; F74-V80 WeakPolarHBondContact O-CG1 3.24Å; K75-V80 HydrophobicContact CG-CG2 4.15Å; V80-V82 HydrophobicContact CG1-CG2 4.36Å; V80-C170 HydrophobicContact CG1-CB 4.37Å; V80-P177 HydrophobicContact CG2-CB 3.63Å; V80-V247 HydrophobicContact CB-CB 4.06Å; V80-V247 HydrophobicContact CB-CG2 4.38Å; V80-V247 PolarHBondContact N-O 2.76Å; V80-V247 PolarHBondContact O-N 3.33Å
81	I	98.1	Very high	95.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.8	166.8	-62.9	-55.8	0	0	0	108.1	A73 F74 F76 A220 L244 Y245 H246	A73-I81 VanDerWaalsContact CA-O 3.24Å; A73-I81 WeakPolarHBondContact CA-O 3.42Å; F74-I81 HydrophobicContact CD1-CB 4.25Å; F74-I81 HydrophobicContact CE1-CB 3.69Å; F74-I81 HydrophobicContact CE1-CG1 4.42Å; F74-I81 HydrophobicContact CE1-CG2 3.82Å; F74-I81 HydrophobicContact CE2-CB 4.23Å; F74-I81 HydrophobicContact CE2-CG1 4.25Å; F74-I81 HydrophobicContact CZ-CB 3.68Å; F74-I81 HydrophobicContact CZ-CG1 3.9Å; F74-I81 HydrophobicContact CZ-CG2 4.08Å; F74-I81 PolarHBondContact N-O 3.45Å; F74-I81 PolarHBondContact O-N 3.01Å; F76-I81 HydrophobicContact CD1-CG1 4.18Å; F76-I81 HydrophobicContact CE1-CD1 3.87Å; F76-I81 HydrophobicContact CE1-CG1 3.62Å; F76-I81 HydrophobicContact CZ-CD1 4.12Å; F76-I81 HydrophobicContact CZ-CG1 4.18Å; I81-A220 HydrophobicContact CG1-CB 3.93Å; I81-L244 HydrophobicContact CG2-CD1 4.26Å; I81-L244 HydrophobicContact CG2-CD2 4.1Å; I81-L244 HydrophobicContact CG2-CG 4.11Å; I81-Y245 WeakPolarHBondContact CA-O 3.5Å; I81-H246 HydrophobicContact CD1-CB 3.91Å
82	V	98.3	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121.2	171.4	-175.2	0	0	0	0	107.6	L72 A73 V80 V84 V102 L110 T112 C170 L244 Y245	L72-V82 WeakPolarHBondContact O-CA 3.23Å; A73-V82 HydrophobicContact CB-CG2 4.13Å; V80-V82 HydrophobicContact CG1-CG2 4.36Å; V82-V84 HydrophobicContact CG1-CG1 4.31Å; V82-V102 HydrophobicContact CG1-CG2 3.96Å; V82-L110 HydrophobicContact CG2-CD1 4.49Å; V82-T112 HydrophobicContact CG1-CG2 3.71Å; V82-C170 HydrophobicContact CG2-CB 3.95Å; V82-L244 WeakPolarHBondContact O-CA 3.06Å; V82-Y245 PolarHBondContact N-O 3.21Å; V82-Y245 PolarHBondContact O-N 3.14Å
83	A	98.1	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	130.9	180	0	0	0	0	0	109.6	L72 I228 N243 L244	L72-A83 HydrophobicContact CD2-CB 4.49Å; L72-A83 PolarHBondContact N-O 3.37Å; L72-A83 PolarHBondContact O-N 2.84Å; L72-A83 VanDerWaalsContact O-O 3.12Å; A83-I228 HydrophobicContact CB-CD1 4.5Å; A83-I228 HydrophobicContact CB-CG1 3.71Å; A83-N243 WeakPolarHBondContact CA-O 3.23Å; A83-L244 HydrophobicContact CB-CD1 4.21Å; A83-L244 HydrophobicContact CB-CG 4.5Å
84	V	97.8	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.8	-177.9	-53.9	0	0	0	0	111.2	T71 V82 K101 V102 N243	T71-V84 HydrophobicContact CG2-CB 4.06Å; T71-V84 HydrophobicContact CG2-CG1 3.56Å; V82-V84 HydrophobicContact CG1-CG1 4.31Å; V84-K101 HydrophobicContact CB-CB 4.22Å; V84-K101 HydrophobicContact CG2-CB 4.01Å; V84-V102 HydrophobicContact CB-CG2 4.35Å; V84-V102 HydrophobicContact CG1-CG2 3.74Å; V84-V102 HydrophobicContact CG2-CG2 3.58Å; V84-N243 HydrophobicContact CG2-CB 3.88Å; V84-N243 PolarHBondContact N-O 3.34Å; V84-N243 PolarHBondContact O-N 3.49Å
85	D	97.3	Very high	94.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.229	C	C	.	.			trans	-81.2	176.5	166.2	81.7	-47.7	0	0	0	111.6	T70 K101 I228 T232 S238 G239 Q241	T70-D85 PolarHBondContact N-OD1 3.34Å; T70-D85 PolarHBondContact O-N 2.89Å; T70-D85 VanDerWaalsContact O-N 3.15Å; T70-D85 VanDerWaalsContact O-OD1 3.1Å; D85-K101 WeakPolarHBondContact O-CD 3.38Å; D85-K101 IonicContact OD1-NZ 3.89Å; D85-K101 PolarHBondContact OD1-NZ 2.8Å; D85-K101 IonicContact OD2-NZ 2.74Å; D85-K101 PolarHBondContact OD2-NZ 3.49Å; D85-I228 HydrophobicContact CB-CG2 4.21Å; D85-T232 HydrophobicContact CB-CG2 4.09Å; D85-S238 VanDerWaalsContact OD2-CA 3.31Å; D85-S238 WeakPolarHBondContact OD2-CA 3.41Å; D85-G239 PolarHBondContact OD2-N 3.41Å; D85-G239 VanDerWaalsContact OD2-N 3.09Å; D85-Q241 CarbonylContact C-O 3.5Å; D85-Q241 WeakPolarHBondContact CA-O 3.4Å
86	S	96.6	Very high	94.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	24%	0.236	C	C	.	.			trans	-129.1	7.2	-176.2	68	0	0	0	0	115	Q97 T98 V99 G239 Q241	S86-Q97 WeakPolarHBondContact CB-O 3.26Å; S86-Q97 CarbonylContact O-C 3.59Å; S86-Q97 PolarHBondContact OG-O 2.84Å; S86-T98 PolarHBondContact O-N 2.74Å; S86-V99 WeakPolarHBondContact CA-O 3.34Å; S86-V99 VanDerWaalsContact CB-O 3.23Å; S86-V99 WeakPolarHBondContact CB-O 3.49Å; S86-V99 WeakPolarHBondContact O-CB 3.31Å; S86-V99 PolarHBondContact O-N 2.72Å; S86-G239 PolarHBondContact N-O 2.88Å; S86-G239 VanDerWaalsContact N-O 3.09Å; S86-Q241 PolarHBondContact N-O 3.13Å; S86-Q241 WeakPolarHBondContact OG-CA 3.23Å; S86-Q241 WeakPolarHBondContact OG-CB 3.37Å; S86-Q241 PolarHBondContact OG-N 3.32Å; S86-Q241 PolarHBondContact OG-O 2.88Å
87	R	95.8	Very high	94.8	Very high	48 Å²	48	44 Å²	44	18%	0.181	25%	0.252	C	S	.	.			trans	-79.8	134.8	177.6	-179.6	172.6	-68.2	172.8	3	111.6	T89 I94 S96 K101 A236 Y237 S238 G239	R87-T89 HydrophobicContact CG-CG2 4Å; R87-I94 HydrophobicContact CG-CG2 3.89Å; R87-S96 CarbonylContact C-O 3.57Å; R87-S96 WeakPolarHBondContact CA-O 3.19Å; R87-K101 WeakPolarHBondContact O-CE 3.4Å; R87-K101 PolarHBondContact O-NZ 2.93Å; R87-A236 PolarHBondContact NH1-O 3.2Å; R87-A236 VanDerWaalsContact NH1-O 3.17Å; R87-Y237 WeakPolarHBondContact CD-O 3.47Å; R87-S238 PolarHBondContact NH1-O 3.12Å; R87-G239 WeakPolarHBondContact CB-O 3.42Å; R87-G239 PolarHBondContact N-O 3.4Å
88	A	94.8	Very high	94.9	Very high	28 Å²	28	43.1 Å²	43.1	23%	0.231	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.1	166.6	0	0	0	0	0	109.7	A95 S96 V99	A88-A95 PolarHBondContact O-N 2.87Å; A88-S96 PolarHBondContact N-O 3.44Å; A88-S96 PolarHBondContact O-N 2.89Å; A88-S96 VanDerWaalsContact O-N 3.13Å; A88-V99 HydrophobicContact CB-CB 4.34Å; A88-V99 HydrophobicContact CB-CG2 3.55Å
89	T	93.1	Very high	95	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.184	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.2	-177.8	58.6	0	0	0	0	111	R87 Y93 I94 Y237	R87-T89 HydrophobicContact CG-CG2 4Å; T89-Y93 CarbonylContact C-O 3.54Å; T89-Y93 WeakPolarHBondContact CA-O 3.36Å; T89-I94 HydrophobicContact CG2-CG1 4.28Å; T89-Y237 HydrophobicContact CG2-CD1 4.15Å
90	A	90.3	Very high	94.9	Very high	68 Å²	68	46.8 Å²	46.8	56%	0.562	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	79	170	0	0	0	0	0	106.9	S92 Y93 A95	A90-S92 PolarHBondContact O-N 2.85Å; A90-Y93 PolarHBondContact N-O 2.93Å; A90-Y93 PolarHBondContact O-N 2.96Å; A90-A95 HydrophobicContact CB-CB 4.42Å
91	G	87.9	Confident	94.9	Very high	20 Å²	20	47 Å²	47	21%	0.206	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	-124	-167.5	0	0	0	0	0	112.2	L66 Y93	L66-G91 VanDerWaalsContact CD1-CA 3.5Å; G91-Y93 VanDerWaalsContact C-N 3.28Å
92	S	89.7	Confident	94.8	Very high	127 Å²	127	47.3 Å²	47.3	89%	0.888	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.9	178.3	54.6	0	0	0	0	113.8	A90	A90-S92 PolarHBondContact O-N 2.85Å
93	Y	92.2	Very high	94.8	Very high	167 Å²	167	48.8 Å²	48.8	66%	0.655	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.2	-179.7	-176.8	-103.4	0	0	0	111.4	T89 A90 G91 A95	T89-Y93 CarbonylContact C-O 3.54Å; T89-Y93 WeakPolarHBondContact CA-O 3.36Å; A90-Y93 PolarHBondContact N-O 2.93Å; A90-Y93 PolarHBondContact O-N 2.96Å; G91-Y93 VanDerWaalsContact C-N 3.28Å; Y93-A95 PolarHBondContact O-N 2.68Å
94	I	94.9	Very high	94.7	Very high	62 Å²	62	53.4 Å²	53.4	32%	0.318	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108.4	174.5	-57.3	171.4	0	0	0	108.8	R87 T89 Q97	R87-I94 HydrophobicContact CG-CG2 3.89Å; T89-I94 HydrophobicContact CG2-CG1 4.28Å; I94-Q97 HydrophobicContact CG2-CG 4.23Å
95	A	94.4	Very high	94.6	Very high	64 Å²	64	53.9 Å²	53.9	53%	0.529	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-37.6	-179.4	0	0	0	0	0	112.4	A88 A90 Y93	A88-A95 PolarHBondContact O-N 2.87Å; A90-A95 HydrophobicContact CB-CB 4.42Å; Y93-A95 PolarHBondContact O-N 2.68Å
96	S	95.4	Very high	94.4	Very high	40 Å²	40	55 Å²	55	28%	0.28	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151.1	177.6	178.8	0	0	0	0	111.8	R87 A88 T98	R87-S96 CarbonylContact C-O 3.57Å; R87-S96 WeakPolarHBondContact CA-O 3.19Å; A88-S96 PolarHBondContact N-O 3.44Å; A88-S96 PolarHBondContact O-N 2.89Å; A88-S96 VanDerWaalsContact O-N 3.13Å; S96-T98 PolarHBondContact OG-N 2.69Å
97	Q	95	Very high	94.4	Very high	74 Å²	74	59.7 Å²	59.7	35%	0.346	34%	0.343	S	S	.	.	S	Bend	trans	-106.9	-3.2	176	-62.7	-77.7	6	0	0	112.7	S86 I94	S86-Q97 WeakPolarHBondContact CB-O 3.26Å; S86-Q97 CarbonylContact O-C 3.59Å; S86-Q97 PolarHBondContact OG-O 2.84Å; I94-Q97 HydrophobicContact CG2-CG 4.23Å
98	T	95.5	Very high	94.4	Very high	89 Å²	89	58 Å²	58	55%	0.546	34%	0.337	S	S	.	.			trans	-126.9	26.1	-169.1	55.1	0	0	0	0	113.5	S86 S96 K100	S86-T98 PolarHBondContact O-N 2.74Å; S96-T98 PolarHBondContact OG-N 2.69Å; T98-K100 PolarHBondContact O-N 3.46Å
99	V	95.9	Very high	94.5	Very high	37 Å²	37	56.7 Å²	56.7	22%	0.224	33%	0.326	C	S	.	.			trans	-69.2	131.1	178.9	179.9	0	0	0	0	110.8	S86 A88 K101 M113	S86-V99 WeakPolarHBondContact CA-O 3.34Å; S86-V99 VanDerWaalsContact CB-O 3.23Å; S86-V99 WeakPolarHBondContact CB-O 3.49Å; S86-V99 WeakPolarHBondContact O-CB 3.31Å; S86-V99 PolarHBondContact O-N 2.72Å; A88-V99 HydrophobicContact CB-CB 4.34Å; A88-V99 HydrophobicContact CB-CG2 3.55Å; V99-K101 HydrophobicContact CG1-CG 4.12Å; V99-K101 PolarHBondContact O-N 2.89Å; V99-M113 HydrophobicContact CG1-SD 4.43Å
100	K	94.8	Very high	94.7	Very high	128 Å²	128	55.3 Å²	55.3	56%	0.557	32%	0.317	S	S	*	.			trans	-84.1	97.3	174.3	-65.9	-176.6	178.2	-175.9	0	109.5	T98	T98-K100 PolarHBondContact O-N 3.46Å
101	K	96.1	Very high	95.1	Very high	3 Å²	3	52 Å²	52	1%	0.013	29%	0.29	C	S	.	.			trans	-85.8	-7.7	-179.7	-58.4	-172.4	-168	177.2	0	114.2	G68 T69 V84 D85 R87 V99 T112 M113	G68-K101 PolarHBondContact O-NZ 3.37Å; T69-K101 HydrophobicContact CG2-CD 3.56Å; T69-K101 PolarHBondContact OG1-NZ 3.43Å; V84-K101 HydrophobicContact CB-CB 4.22Å; V84-K101 HydrophobicContact CG2-CB 4.01Å; D85-K101 WeakPolarHBondContact O-CD 3.38Å; D85-K101 IonicContact OD1-NZ 3.89Å; D85-K101 PolarHBondContact OD1-NZ 2.8Å; D85-K101 IonicContact OD2-NZ 2.74Å; D85-K101 PolarHBondContact OD2-NZ 3.49Å; R87-K101 WeakPolarHBondContact O-CE 3.4Å; R87-K101 PolarHBondContact O-NZ 2.93Å; V99-K101 HydrophobicContact CG1-CG 4.12Å; V99-K101 PolarHBondContact O-N 2.89Å; K101-T112 CarbonylContact O-C 3.17Å; K101-T112 WeakPolarHBondContact O-CA 3.16Å; K101-M113 HydrophobicContact CB-CB 4.13Å; K101-M113 WeakPolarHBondContact O-CB 3.41Å; K101-M113 PolarHBondContact O-N 2.9Å
102	V	97.4	Very high	95.5	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119	163.9	-177.5	0	0	0	0	107.5	V82 V84 L110 G111 Y245	V82-V102 HydrophobicContact CG1-CG2 3.96Å; V84-V102 HydrophobicContact CB-CG2 4.35Å; V84-V102 HydrophobicContact CG1-CG2 3.74Å; V84-V102 HydrophobicContact CG2-CG2 3.58Å; V102-L110 HydrophobicContact CG1-CB 4.2Å; V102-L110 HydrophobicContact CG1-CD1 4.13Å; V102-L110 HydrophobicContact CG1-CD2 3.93Å; V102-L110 HydrophobicContact CG1-CG 4.32Å; V102-G111 WeakPolarHBondContact CA-O 3.49Å; V102-Y245 HydrophobicContact CB-CD2 4.02Å; V102-Y245 HydrophobicContact CB-CE2 3.7Å; V102-Y245 HydrophobicContact CG1-CD1 4.41Å; V102-Y245 HydrophobicContact CG1-CD2 4.06Å; V102-Y245 HydrophobicContact CG1-CE1 4.42Å; V102-Y245 HydrophobicContact CG1-CE2 4.06Å; V102-Y245 HydrophobicContact CG1-CG 4.25Å; V102-Y245 HydrophobicContact CG2-CD2 3.68Å; V102-Y245 HydrophobicContact CG2-CE2 3.68Å
103	I	97	Very high	95.8	Very high	31 Å²	31	45.8 Å²	45.8	16%	0.159	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.6	176.5	-63	164.3	0	0	0	107.6	I105 G111 M113 C120 E124	I103-I105 PolarHBondContact O-N 3.41Å; I103-I105 VanDerWaalsContact O-N 3.11Å; I103-G111 PolarHBondContact N-O 3.08Å; I103-G111 PolarHBondContact O-N 3.13Å; I103-M113 HydrophobicContact CD1-CB 4.3Å; I103-M113 HydrophobicContact CD1-CE 3.82Å; I103-M113 HydrophobicContact CG1-CE 4.19Å; I103-C120 HydrophobicContact CD1-CB 4.3Å; I103-E124 WeakPolarHBondContact CB-OE2 3.49Å; I103-E124 HydrophobicContact CD1-CB 4.38Å; I103-E124 HydrophobicContact CD1-CG 4.48Å; I103-E124 VanDerWaalsContact CD1-OE2 3.22Å; I103-E124 WeakPolarHBondContact CD1-OE2 3.45Å; I103-E124 HydrophobicContact CG2-CB 4.18Å; I103-E124 WeakPolarHBondContact CG2-OE2 3.34Å
104	E	96.6	Very high	95.9	Very high	98 Å²	98	38 Å²	38	46%	0.458	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	89.8	180	-62	169.9	-168.7	0	0	109.1	L110 W252	E104-L110 HydrophobicContact CG-CD2 4.18Å; E104-W252 HydrophobicContact CB-CH2 4.31Å; E104-W252 HydrophobicContact CB-CZ2 3.83Å; E104-W252 HydrophobicContact CG-CH2 3.61Å; E104-W252 HydrophobicContact CG-CZ2 3.59Å; E104-W252 HydrophobicContact CG-CZ3 4.39Å; E104-W252 WeakPolarHBondContact OE1-CH2 3.44Å; E104-W252 WeakPolarHBondContact OE2-CH2 3.42Å
105	I	95.7	Very high	95.7	Very high	9 Å²	9	36.2 Å²	36.2	5%	0.046	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-51.2	-176.6	-61.4	169.9	0	0	0	110.4	I103 L109 E124 L127 A128	I103-I105 PolarHBondContact O-N 3.41Å; I103-I105 VanDerWaalsContact O-N 3.11Å; I105-L109 HydrophobicContact CB-CB 4.07Å; I105-L109 HydrophobicContact CG2-CB 4.29Å; I105-L109 PolarHBondContact N-O 3.37Å; I105-E124 HydrophobicContact CG1-CB 4.39Å; I105-L127 HydrophobicContact CD1-CD2 4.18Å; I105-A128 HydrophobicContact CG2-CB 3.78Å; I105-A128 WeakPolarHBondContact O-CB 3.28Å
106	N	94.3	Very high	95.6	Very high	24 Å²	24	33.7 Å²	33.7	13%	0.128	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	169.1	180	-84.8	-24.2	0	0	0	109.1	Y108 L109 C131 W252	N106-Y108 HydrophobicContact CB-CD1 4.02Å; N106-Y108 HydrophobicContact CB-CE1 3.77Å; N106-Y108 PolarHBondContact ND2-OH 2.89Å; N106-Y108 PolarHBondContact O-N 3.31Å; N106-L109 HydrophobicContact CB-CB 4.29Å; N106-L109 PolarHBondContact N-O 3.4Å; N106-L109 PolarHBondContact O-N 3.44Å; N106-C131 WeakPolarHBondContact ND2-CB 3.4Å; N106-W252 PolarHBondContact O-NE1 3.03Å
107	P	95.1	Very high	95.4	Very high	99 Å²	99	34.2 Å²	34.2	64%	0.643	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-7.9	175.5	-25.9	35.5	0	0	0	115.8	G251 W252	P107-G251 VanDerWaalsContact O-CA 3.24Å; P107-G251 WeakPolarHBondContact O-CA 3.28Å; P107-W252 VanDerWaalsContact C-CD1 3.48Å; P107-W252 VanDerWaalsContact O-CD1 3.31Å; P107-W252 PolarHBondContact O-N 2.84Å
108	Y	95.4	Very high	95.4	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.055	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-0	-178.2	63.9	-87.4	0	0	0	114.1	N106 R141 I142 G171	N106-Y108 HydrophobicContact CB-CD1 4.02Å; N106-Y108 HydrophobicContact CB-CE1 3.77Å; N106-Y108 PolarHBondContact ND2-OH 2.89Å; N106-Y108 PolarHBondContact O-N 3.31Å; Y108-R141 HydrophobicContact CE1-CB 4.46Å; Y108-R141 HydrophobicContact CE1-CG 4.16Å; Y108-R141 HydrophobicContact CE2-CB 4.32Å; Y108-I142 HydrophobicContact CE2-CG2 4.41Å; Y108-G171 WeakPolarHBondContact O-CA 3.35Å
109	L	97.3	Very high	95.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.2	176.6	-69	171.6	0	0	0	109.9	I105 N106 I142 V144 A147 C170	I105-L109 HydrophobicContact CB-CB 4.07Å; I105-L109 HydrophobicContact CG2-CB 4.29Å; I105-L109 PolarHBondContact N-O 3.37Å; N106-L109 HydrophobicContact CB-CB 4.29Å; N106-L109 PolarHBondContact N-O 3.4Å; N106-L109 PolarHBondContact O-N 3.44Å; L109-I142 HydrophobicContact CD1-CG2 4.23Å; L109-V144 HydrophobicContact CD2-CB 4.33Å; L109-V144 HydrophobicContact CD2-CG1 4.25Å; L109-V144 HydrophobicContact CD2-CG2 3.82Å; L109-A147 HydrophobicContact CD1-CB 4.03Å; L109-C170 WeakPolarHBondContact CA-O 3.35Å
110	L	98.2	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.6	171.1	-66	179.6	0	0	0	109.7	V82 V102 E104 C170 Y245 V247 W252	V82-L110 HydrophobicContact CG2-CD1 4.49Å; V102-L110 HydrophobicContact CG1-CB 4.2Å; V102-L110 HydrophobicContact CG1-CD1 4.13Å; V102-L110 HydrophobicContact CG1-CD2 3.93Å; V102-L110 HydrophobicContact CG1-CG 4.32Å; E104-L110 HydrophobicContact CG-CD2 4.18Å; L110-C170 HydrophobicContact CB-CB 4.34Å; L110-C170 PolarHBondContact N-O 2.85Å; L110-C170 PolarHBondContact O-N 3.16Å; L110-Y245 HydrophobicContact CD1-CD1 4.07Å; L110-Y245 HydrophobicContact CD1-CG 4.12Å; L110-V247 HydrophobicContact CD1-CG2 3.7Å; L110-V247 HydrophobicContact CG-CG2 4.33Å; L110-W252 HydrophobicContact CD1-CB 3.91Å; L110-W252 HydrophobicContact CD1-CD2 4.45Å; L110-W252 HydrophobicContact CD1-CG 4.02Å; L110-W252 HydrophobicContact CD2-CD2 3.74Å; L110-W252 HydrophobicContact CD2-CE3 4.38Å; L110-W252 HydrophobicContact CD2-CG 3.77Å; L110-W252 HydrophobicContact CD2-CZ2 4.39Å; L110-W252 HydrophobicContact CG-CB 4.18Å; L110-W252 HydrophobicContact CG-CD2 4.34Å; L110-W252 HydrophobicContact CG-CG 3.86Å
111	G	97.7	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	160.1	169.4	0	0	0	0	0	110.9	V102 I103 E124 M168	V102-G111 WeakPolarHBondContact CA-O 3.49Å; I103-G111 PolarHBondContact N-O 3.08Å; I103-G111 PolarHBondContact O-N 3.13Å; G111-E124 WeakPolarHBondContact CA-OE2 3.4Å; G111-M168 WeakPolarHBondContact CA-O 3.3Å
112	T	97.3	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.9	178.1	64.4	0	0	0	0	111.5	V82 K101 T167 M168	V82-T112 HydrophobicContact CG1-CG2 3.71Å; K101-T112 CarbonylContact O-C 3.17Å; K101-T112 WeakPolarHBondContact O-CA 3.16Å; T112-T167 PolarHBondContact N-OG1 2.82Å; T112-T167 VanDerWaalsContact N-OG1 3.16Å; T112-T167 WeakPolarHBondContact O-CA 3.48Å; T112-T167 WeakPolarHBondContact O-CB 3.41Å; T112-T167 PolarHBondContact O-OG1 3.34Å; T112-M168 HydrophobicContact CG2-CB 4.19Å; T112-M168 HydrophobicContact CG2-CE 3.94Å; T112-M168 PolarHBondContact N-O 2.89Å; T112-M168 WeakPolarHBondContact OG1-CB 3.49Å; T112-M168 PolarHBondContact OG1-N 3.33Å
113	M	95.8	Very high	95.5	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.074	20%	0.199	C	C	.	.			trans	-92.1	112.9	178.4	-177.8	-177.3	-62.7	0	0	110.5	V99 K101 I103 A117 C120 S121	V99-M113 HydrophobicContact CG1-SD 4.43Å; K101-M113 HydrophobicContact CB-CB 4.13Å; K101-M113 WeakPolarHBondContact O-CB 3.41Å; K101-M113 PolarHBondContact O-N 2.9Å; I103-M113 HydrophobicContact CD1-CB 4.3Å; I103-M113 HydrophobicContact CD1-CE 3.82Å; I103-M113 HydrophobicContact CG1-CE 4.19Å; M113-A117 HydrophobicContact CG-CB 4.46Å; M113-A117 HydrophobicContact SD-CB 3.61Å; M113-C120 HydrophobicContact CB-CB 4.25Å; M113-C120 HydrophobicContact CG-CB 3.92Å; M113-S121 WeakPolarHBondContact CE-OG 3.29Å
114	A	93.1	Very high	95.5	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.033	19%	0.192	C	C	.	.			trans	-141.3	136.7	163.3	0	0	0	0	0	110.3	T69 C120 G166 V196	T69-A114 HydrophobicContact CG2-CB 4.37Å; A114-C120 PolarHBondContact O-SG 2.78Å; A114-C120 VanDerWaalsContact O-SG 3.36Å; A114-G166 VanDerWaalsContact CB-O 3.31Å; A114-G166 WeakPolarHBondContact CB-O 3.4Å; A114-G166 PolarHBondContact O-N 2.85Å; A114-V196 HydrophobicContact CB-CB 4.39Å; A114-V196 HydrophobicContact CB-CG1 3.78Å
115	G	91.3	Very high	95.5	Very high	24 Å²	24	36.2 Å²	36.2	25%	0.247	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	98.3	-142.3	-167.8	0	0	0	0	0	112.4	A117	G115-A117 PolarHBondContact O-N 3.16Å; G115-A117 VanDerWaalsContact O-N 3.12Å
116	G	92.9	Very high	95.6	Very high	12 Å²	12	38.4 Å²	38.4	12%	0.124	22%	0.218	C	C	.	.			trans	-60	111.4	175.3	0	0	0	0	0	110.6	A118 D119 C120 S164	G116-A118 VanDerWaalsContact C-N 3.27Å; G116-A118 PolarHBondContact O-N 3.22Å; G116-D119 PolarHBondContact O-N 3.3Å; G116-C120 PolarHBondContact O-N 3.01Å; G116-C120 PolarHBondContact O-SG 2.85Å; G116-S164 WeakPolarHBondContact CA-O 3.5Å; G116-S164 PolarHBondContact N-O 3.47Å; G116-S164 PolarHBondContact N-OG 3.19Å
117	A	92.1	Very high	95.8	Very high	51 Å²	51	37.3 Å²	37.3	42%	0.421	21%	0.212	S	C	.	.	H	α-helix	trans	-59.6	-39.7	-179.3	0	0	0	0	0	112.1	M113 G115 S121	M113-A117 HydrophobicContact CG-CB 4.46Å; M113-A117 HydrophobicContact SD-CB 3.61Å; G115-A117 PolarHBondContact O-N 3.16Å; G115-A117 VanDerWaalsContact O-N 3.12Å; A117-S121 WeakPolarHBondContact O-CB 3.14Å; A117-S121 PolarHBondContact O-N 3.08Å; A117-S121 VanDerWaalsContact O-N 3.17Å; A117-S121 PolarHBondContact O-OG 2.95Å
118	A	94	Very high	95.9	Very high	74 Å²	74	33.5 Å²	33.5	61%	0.612	19%	0.188	S	C	*	.	H	α-helix	trans	-68.6	-43.1	176.2	0	0	0	0	0	112	G116 S121 F122	G116-A118 VanDerWaalsContact C-N 3.27Å; G116-A118 PolarHBondContact O-N 3.22Å; A118-S121 PolarHBondContact O-N 3.18Å; A118-F122 WeakPolarHBondContact O-CB 3.3Å; A118-F122 PolarHBondContact O-N 2.7Å
119	D	94.9	Very high	96	Very high	36 Å²	36	40 Å²	40	19%	0.193	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-52.1	179.4	-63.1	-19.5	0	0	0	111	G116 S121 F122 W123 S164	G116-D119 PolarHBondContact O-N 3.3Å; D119-S121 VanDerWaalsContact C-N 3.35Å; D119-S121 PolarHBondContact O-N 3.32Å; D119-F122 PolarHBondContact O-N 2.99Å; D119-W123 PolarHBondContact O-N 3.29Å; D119-S164 PolarHBondContact OD2-N 3.05Å
120	C	95.5	Very high	96.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-47.4	178.5	-59.9	0	0	0	0	110.9	I103 M113 A114 G116 F122 E124	I103-C120 HydrophobicContact CD1-CB 4.3Å; M113-C120 HydrophobicContact CB-CB 4.25Å; M113-C120 HydrophobicContact CG-CB 3.92Å; A114-C120 PolarHBondContact O-SG 2.78Å; A114-C120 VanDerWaalsContact O-SG 3.36Å; G116-C120 PolarHBondContact O-N 3.01Å; G116-C120 PolarHBondContact O-SG 2.85Å; C120-F122 VanDerWaalsContact C-N 3.32Å; C120-F122 PolarHBondContact O-N 2.82Å; C120-E124 VanDerWaalsContact O-CB 3.26Å; C120-E124 WeakPolarHBondContact O-CB 3.34Å; C120-E124 VanDerWaalsContact O-CG 3.27Å; C120-E124 WeakPolarHBondContact O-CG 3.37Å; C120-E124 PolarHBondContact O-N 2.88Å
121	S	96.1	Very high	96	Very high	52 Å²	52	43.1 Å²	43.1	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-59.8	-41.7	-179.5	-61.1	0	0	0	0	112.5	M113 A117 A118 D119 R125	M113-S121 WeakPolarHBondContact CE-OG 3.29Å; A117-S121 WeakPolarHBondContact O-CB 3.14Å; A117-S121 PolarHBondContact O-N 3.08Å; A117-S121 VanDerWaalsContact O-N 3.17Å; A117-S121 PolarHBondContact O-OG 2.95Å; A118-S121 PolarHBondContact O-N 3.18Å; D119-S121 VanDerWaalsContact C-N 3.35Å; D119-S121 PolarHBondContact O-N 3.32Å; S121-R125 WeakPolarHBondContact O-CB 3.48Å; S121-R125 PolarHBondContact O-N 3.03Å
122	F	97.3	Very high	96	Very high	125 Å²	125	49 Å²	49	55%	0.548	25%	0.25	S	C	.	.	H	α-helix	trans	-70.5	-53.4	-178.4	177.2	-97.9	0	0	0	111.7	A118 D119 C120 E124 R125 L126	A118-F122 WeakPolarHBondContact O-CB 3.3Å; A118-F122 PolarHBondContact O-N 2.7Å; D119-F122 PolarHBondContact O-N 2.99Å; C120-F122 VanDerWaalsContact C-N 3.32Å; C120-F122 PolarHBondContact O-N 2.82Å; F122-E124 PolarHBondContact O-N 2.85Å; F122-R125 PolarHBondContact O-N 2.93Å; F122-L126 PolarHBondContact O-N 3.39Å
123	W	97.2	Very high	96	Very high	19 Å²	19	51 Å²	51	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-35.7	-174.7	-72.6	115.4	0	0	0	112.7	D119 L126 L127 L151 M154 V155 Y158 L163 M165	D119-W123 PolarHBondContact O-N 3.29Å; W123-L126 HydrophobicContact CE3-CD2 3.81Å; W123-L126 HydrophobicContact CZ3-CD2 3.59Å; W123-L126 PolarHBondContact O-N 3.41Å; W123-L127 WeakPolarHBondContact O-CB 3.01Å; W123-L127 PolarHBondContact O-N 3.08Å; W123-L151 HydrophobicContact CB-CD1 4.11Å; W123-M154 HydrophobicContact CE3-CB 4.11Å; W123-M154 HydrophobicContact CZ3-CB 3.98Å; W123-V155 HydrophobicContact CG-CG2 4.37Å; W123-Y158 AromaticContact CH2-CD2 3.73Å; W123-Y158 HydrophobicContact CH2-CD2 3.73Å; W123-Y158 AromaticContact CH2-CE2 3.37Å; W123-Y158 HydrophobicContact CH2-CE2 3.37Å; W123-Y158 AromaticContact CZ2-CD2 3.74Å; W123-Y158 HydrophobicContact CZ2-CD2 3.74Å; W123-Y158 AromaticContact CZ2-CE2 3.77Å; W123-Y158 HydrophobicContact CZ2-CE2 3.77Å; W123-Y158 HydrophobicContact CZ2-CG 4.35Å; W123-Y158 HydrophobicContact CZ3-CE2 4.47Å; W123-L163 HydrophobicContact CZ2-CD1 4.36Å; W123-M165 HydrophobicContact CB-CE 3.96Å; W123-M165 HydrophobicContact CB-SD 3.88Å; W123-M165 HydrophobicContact CG-SD 4.23Å
124	E	97.4	Very high	96.1	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-72	-34.2	175.7	-68	-177.2	-158.2	0	0	112.5	I103 I105 G111 C120 F122 L126 L127 A128 M165 T167	I103-E124 WeakPolarHBondContact CB-OE2 3.49Å; I103-E124 HydrophobicContact CD1-CB 4.38Å; I103-E124 HydrophobicContact CD1-CG 4.48Å; I103-E124 VanDerWaalsContact CD1-OE2 3.22Å; I103-E124 WeakPolarHBondContact CD1-OE2 3.45Å; I103-E124 HydrophobicContact CG2-CB 4.18Å; I103-E124 WeakPolarHBondContact CG2-OE2 3.34Å; I105-E124 HydrophobicContact CG1-CB 4.39Å; G111-E124 WeakPolarHBondContact CA-OE2 3.4Å; C120-E124 VanDerWaalsContact O-CB 3.26Å; C120-E124 WeakPolarHBondContact O-CB 3.34Å; C120-E124 VanDerWaalsContact O-CG 3.27Å; C120-E124 WeakPolarHBondContact O-CG 3.37Å; C120-E124 PolarHBondContact O-N 2.88Å; F122-E124 PolarHBondContact O-N 2.85Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-L127 WeakPolarHBondContact O-CB 3.47Å; E124-L127 PolarHBondContact O-N 3.38Å; E124-A128 PolarHBondContact O-N 3.5Å; E124-M165 HydrophobicContact CG-CE 3.93Å; E124-T167 WeakPolarHBondContact OE1-CB 3.48Å; E124-T167 PolarHBondContact OE1-OG1 2.9Å
125	R	97.7	Very high	96.3	Very high	201 Å²	201	56.3 Å²	56.3	76%	0.758	28%	0.281	S	S	*	.	H	α-helix	trans	-65.2	-39.4	171.1	-178.4	175.2	178.5	155.7	-0.4	111.7	S121 F122 L127 A128 R129	S121-R125 WeakPolarHBondContact O-CB 3.48Å; S121-R125 PolarHBondContact O-N 3.03Å; F122-R125 PolarHBondContact O-N 2.93Å; R125-L127 VanDerWaalsContact C-N 3.34Å; R125-A128 WeakPolarHBondContact O-CB 3.17Å; R125-A128 PolarHBondContact O-N 3.34Å; R125-R129 PolarHBondContact O-N 3.02Å; R125-R129 VanDerWaalsContact O-N 3.17Å
126	L	97.8	Very high	96.6	Very high	56 Å²	56	60.5 Å²	60.5	29%	0.293	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-39.4	174.3	-176.1	61.9	0	0	0	111.4	F122 W123 E124 R129 Q130 M154	F122-L126 PolarHBondContact O-N 3.39Å; W123-L126 HydrophobicContact CE3-CD2 3.81Å; W123-L126 HydrophobicContact CZ3-CD2 3.59Å; W123-L126 PolarHBondContact O-N 3.41Å; E124-L126 VanDerWaalsContact C-N 3.34Å; L126-R129 WeakPolarHBondContact O-CB 3.19Å; L126-R129 PolarHBondContact O-N 3.49Å; L126-Q130 PolarHBondContact O-N 3.42Å; L126-M154 HydrophobicContact CD2-SD 3.79Å; L126-M154 HydrophobicContact CG-SD 4.02Å
127	L	97.8	Very high	96.9	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.8	-45.5	172.7	179.4	66.5	0	0	0	111.4	I105 W123 E124 R125 R129 Q130 C131 A147 L150 L151 M154	I105-L127 HydrophobicContact CD1-CD2 4.18Å; W123-L127 WeakPolarHBondContact O-CB 3.01Å; W123-L127 PolarHBondContact O-N 3.08Å; E124-L127 WeakPolarHBondContact O-CB 3.47Å; E124-L127 PolarHBondContact O-N 3.38Å; R125-L127 VanDerWaalsContact C-N 3.34Å; L127-R129 VanDerWaalsContact C-N 3.28Å; L127-R129 PolarHBondContact O-N 3.06Å; L127-Q130 PolarHBondContact O-N 3Å; L127-C131 WeakPolarHBondContact O-CB 3.44Å; L127-C131 PolarHBondContact O-N 3.04Å; L127-C131 PolarHBondContact O-SG 3.28Å; L127-A147 WeakPolarHBondContact CD1-O 3.49Å; L127-L150 HydrophobicContact CD1-CB 4Å; L127-L151 HydrophobicContact CB-CD1 4.44Å; L127-L151 HydrophobicContact CD1-CB 4.34Å; L127-L151 HydrophobicContact CD2-CB 4.1Å; L127-L151 HydrophobicContact CD2-CD1 4.44Å; L127-L151 HydrophobicContact CD2-CD2 4.15Å; L127-L151 HydrophobicContact CD2-CG 4.48Å; L127-M154 HydrophobicContact CB-CE 4.09Å; L127-M154 HydrophobicContact CD1-CE 4.15Å
128	A	97.6	Very high	97.1	Very high	19 Å²	19	70.9 Å²	70.9	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-55.1	-44.7	176.2	0	0	0	0	0	111.7	I105 E124 R125 Q130 C131 R132	I105-A128 HydrophobicContact CG2-CB 3.78Å; I105-A128 WeakPolarHBondContact O-CB 3.28Å; E124-A128 PolarHBondContact O-N 3.5Å; R125-A128 WeakPolarHBondContact O-CB 3.17Å; R125-A128 PolarHBondContact O-N 3.34Å; A128-Q130 PolarHBondContact O-N 3.35Å; A128-C131 PolarHBondContact O-N 3.44Å; A128-R132 WeakPolarHBondContact O-CB 3.49Å; A128-R132 PolarHBondContact O-N 2.94Å
129	R	98	Very high	97.3	Very high	150 Å²	150	76.9 Å²	76.9	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-58.2	-47.4	174.2	177.8	-176.1	175.1	-83.4	1.8	111.7	R125 L126 L127 R132 I133	R125-R129 PolarHBondContact O-N 3.02Å; R125-R129 VanDerWaalsContact O-N 3.17Å; L126-R129 WeakPolarHBondContact O-CB 3.19Å; L126-R129 PolarHBondContact O-N 3.49Å; L127-R129 VanDerWaalsContact C-N 3.28Å; L127-R129 PolarHBondContact O-N 3.06Å; R129-R132 PolarHBondContact O-N 3.29Å; R129-I133 HydrophobicContact CG-CD1 4.07Å; R129-I133 WeakPolarHBondContact O-CG1 3.18Å; R129-I133 PolarHBondContact O-N 3.19Å
130	Q	97.9	Very high	97.3	Very high	67 Å²	67	79.5 Å²	79.5	31%	0.313	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-41.3	-179	-169.8	61.7	17.5	0	0	112	L126 L127 A128 R132 I133 Y134 L150	L126-Q130 PolarHBondContact O-N 3.42Å; L127-Q130 PolarHBondContact O-N 3Å; A128-Q130 PolarHBondContact O-N 3.35Å; Q130-R132 VanDerWaalsContact C-N 3.3Å; Q130-R132 PolarHBondContact O-N 3.18Å; Q130-I133 PolarHBondContact O-N 3.28Å; Q130-Y134 WeakPolarHBondContact O-CB 3.38Å; Q130-Y134 PolarHBondContact O-N 3.46Å; Q130-L150 HydrophobicContact CG-CD1 3.92Å
131	C	97.3	Very high	97.3	Very high	0 Å²	0	85.5 Å²	85.5	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-41.8	173.9	-67.5	0	0	0	0	111.5	N106 L127 A128 Y134 E135 I142	N106-C131 WeakPolarHBondContact ND2-CB 3.4Å; L127-C131 WeakPolarHBondContact O-CB 3.44Å; L127-C131 PolarHBondContact O-N 3.04Å; L127-C131 PolarHBondContact O-SG 3.28Å; A128-C131 PolarHBondContact O-N 3.44Å; C131-Y134 PolarHBondContact O-N 2.96Å; C131-E135 PolarHBondContact O-N 3.46Å; C131-I142 HydrophobicContact CB-CG2 3.96Å
132	R	97.3	Very high	97.4	Very high	123 Å²	123	83.3 Å²	83.3	46%	0.464	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-41.7	178.6	-175.5	56.7	176.8	169.9	-0.3	112.7	A128 R129 Q130 Y134 E135 L136	A128-R132 WeakPolarHBondContact O-CB 3.49Å; A128-R132 PolarHBondContact O-N 2.94Å; R129-R132 PolarHBondContact O-N 3.29Å; Q130-R132 VanDerWaalsContact C-N 3.3Å; Q130-R132 PolarHBondContact O-N 3.18Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; R132-E135 IonicContact CZ-OE2 3.76Å; R132-E135 IonicContact NH1-OE1 3.46Å; R132-E135 IonicContact NH1-OE2 2.72Å; R132-E135 PolarHBondContact NH1-OE2 2.9Å; R132-E135 PolarHBondContact O-N 3.11Å; R132-L136 HydrophobicContact CG-CD1 4.38Å; R132-L136 WeakPolarHBondContact O-CG 3.44Å; R132-L136 PolarHBondContact O-N 3.05Å
133	I	98	Very high	97.3	Very high	42 Å²	42	79 Å²	79	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-42.1	176.2	-67.9	167.6	0	0	0	110.7	R129 Q130 E135 L136 R137	R129-I133 HydrophobicContact CG-CD1 4.07Å; R129-I133 WeakPolarHBondContact O-CG1 3.18Å; R129-I133 PolarHBondContact O-N 3.19Å; Q130-I133 PolarHBondContact O-N 3.28Å; I133-E135 VanDerWaalsContact C-N 3.34Å; I133-E135 PolarHBondContact O-N 3.16Å; I133-L136 PolarHBondContact O-N 3.45Å; I133-R137 HydrophobicContact CG2-CG 4.48Å; I133-R137 WeakPolarHBondContact O-CG 3.36Å; I133-R137 PolarHBondContact O-N 3.31Å; I133-R137 VanDerWaalsContact O-N 3.08Å
134	Y	97.9	Very high	97.3	Very high	84 Å²	84	78.2 Å²	78.2	33%	0.329	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-48	175.2	-179.8	-87.2	0	0	0	111.3	Q130 C131 R132 L136 R137 N138 I142	Q130-Y134 WeakPolarHBondContact O-CB 3.38Å; Q130-Y134 PolarHBondContact O-N 3.46Å; C131-Y134 PolarHBondContact O-N 2.96Å; R132-Y134 VanDerWaalsContact C-N 3.33Å; Y134-L136 VanDerWaalsContact C-N 3.35Å; Y134-L136 PolarHBondContact O-N 3.32Å; Y134-R137 PolarHBondContact O-N 2.95Å; Y134-N138 HydrophobicContact CE1-CB 4.39Å; Y134-N138 WeakPolarHBondContact O-CB 3.35Å; Y134-N138 PolarHBondContact O-N 2.99Å; Y134-I142 HydrophobicContact CD1-CB 3.69Å; Y134-I142 HydrophobicContact CD1-CG1 4.1Å; Y134-I142 HydrophobicContact CE1-CB 4.01Å; Y134-I142 HydrophobicContact CE1-CG1 4.21Å; Y134-I142 HydrophobicContact CG-CB 4.35Å; Y134-I142 HydrophobicContact CG-CD1 4.38Å; Y134-I142 HydrophobicContact CG-CG1 4.43Å
135	E	96.9	Very high	97.3	Very high	47 Å²	47	79.5 Å²	79.5	22%	0.22	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-43.2	179.2	-173.9	-176	-160.3	0	0	112.4	C131 R132 I133 K139 E140	C131-E135 PolarHBondContact O-N 3.46Å; R132-E135 IonicContact CZ-OE2 3.76Å; R132-E135 IonicContact NH1-OE1 3.46Å; R132-E135 IonicContact NH1-OE2 2.72Å; R132-E135 PolarHBondContact NH1-OE2 2.9Å; R132-E135 PolarHBondContact O-N 3.11Å; I133-E135 VanDerWaalsContact C-N 3.34Å; I133-E135 PolarHBondContact O-N 3.16Å; E135-K139 WeakPolarHBondContact O-CA 3.24Å; E135-K139 PolarHBondContact O-N 2.79Å; E135-E140 WeakPolarHBondContact CA-O 3.36Å
136	L	97.8	Very high	97.3	Very high	111 Å²	111	71.6 Å²	71.6	58%	0.581	33%	0.33	S	S	*	.	H	α-helix	trans	-67.7	-36.3	179.5	-69.1	173.4	0	0	0	113	R132 I133 Y134	R132-L136 HydrophobicContact CG-CD1 4.38Å; R132-L136 WeakPolarHBondContact O-CG 3.44Å; R132-L136 PolarHBondContact O-N 3.05Å; I133-L136 PolarHBondContact O-N 3.45Å; Y134-L136 VanDerWaalsContact C-N 3.35Å; Y134-L136 PolarHBondContact O-N 3.32Å
137	R	98.2	Very high	97.3	Very high	191 Å²	191	69 Å²	69	72%	0.721	32%	0.316	S	S	*	.	H	α-helix	trans	-72.5	-42.5	178.9	-73.4	176.2	176.9	175.4	-1	112.2	I133 Y134	I133-R137 HydrophobicContact CG2-CG 4.48Å; I133-R137 WeakPolarHBondContact O-CG 3.36Å; I133-R137 PolarHBondContact O-N 3.31Å; I133-R137 VanDerWaalsContact O-N 3.08Å; Y134-R137 PolarHBondContact O-N 2.95Å
138	N	97.5	Very high	97.3	Very high	90 Å²	90	69 Å²	69	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-97	-10.4	-170.8	-67.1	36.7	0	0	0	112.7	Y134 E140	Y134-N138 HydrophobicContact CE1-CB 4.39Å; Y134-N138 WeakPolarHBondContact O-CB 3.35Å; Y134-N138 PolarHBondContact O-N 2.99Å; N138-E140 PolarHBondContact O-N 3.26Å
139	K	97.2	Very high	97.3	Very high	200 Å²	200	73.3 Å²	73.3	87%	0.87	33%	0.331	S	S	*	.	S	Bend	trans	53.8	27.2	-169.9	-57.9	-178.8	179	178.5	0	112.7	E135	E135-K139 WeakPolarHBondContact O-CA 3.24Å; E135-K139 PolarHBondContact O-N 2.79Å
140	E	95.9	Very high	97.3	Very high	91 Å²	91	68.7 Å²	68.7	43%	0.425	32%	0.317	S	S	.	.	S	Bend	trans	-142.2	138.5	-178	-170	-176.9	140.3	0	0	110.2	E135 N138 K174	E135-E140 WeakPolarHBondContact CA-O 3.36Å; N138-E140 PolarHBondContact O-N 3.26Å; E140-K174 VanDerWaalsContact OE1-CE 3.23Å; E140-K174 WeakPolarHBondContact OE1-CE 3.44Å; E140-K174 IonicContact OE1-NZ 2.57Å; E140-K174 PolarHBondContact OE1-NZ 3.42Å; E140-K174 IonicContact OE2-NZ 3.25Å; E140-K174 PolarHBondContact OE2-NZ 3.16Å
141	R	95.1	Very high	97.3	Very high	127 Å²	127	65.5 Å²	65.5	48%	0.479	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-64.5	141.2	176.3	-63.2	-179	-64.6	176	1.6	111.2	Y108	Y108-R141 HydrophobicContact CE1-CB 4.46Å; Y108-R141 HydrophobicContact CE1-CG 4.16Å; Y108-R141 HydrophobicContact CE2-CB 4.32Å
142	I	96.9	Very high	97.3	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-67.2	144.1	174	-163.6	171.1	0	0	0	111.4	Y108 L109 C131 Y134 A146 A147 L150	Y108-I142 HydrophobicContact CE2-CG2 4.41Å; L109-I142 HydrophobicContact CD1-CG2 4.23Å; C131-I142 HydrophobicContact CB-CG2 3.96Å; Y134-I142 HydrophobicContact CD1-CB 3.69Å; Y134-I142 HydrophobicContact CD1-CG1 4.1Å; Y134-I142 HydrophobicContact CE1-CB 4.01Å; Y134-I142 HydrophobicContact CE1-CG1 4.21Å; Y134-I142 HydrophobicContact CG-CB 4.35Å; Y134-I142 HydrophobicContact CG-CD1 4.38Å; Y134-I142 HydrophobicContact CG-CG1 4.43Å; I142-A146 HydrophobicContact CD1-CB 3.99Å; I142-A146 HydrophobicContact CG1-CB 3.71Å; I142-A147 HydrophobicContact CD1-CB 4.34Å; I142-A147 HydrophobicContact CG2-CB 4.27Å; I142-L150 HydrophobicContact CD1-CD1 3.57Å
143	S	96.9	Very high	97.3	Very high	34 Å²	34	63.5 Å²	63.5	24%	0.238	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71.2	152.1	171.2	58.8	0	0	0	0	112.1	A145 A146 A147 D173	S143-A145 PolarHBondContact O-N 3.26Å; S143-A146 PolarHBondContact O-N 3.11Å; S143-A146 VanDerWaalsContact O-N 3.16Å; S143-A146 WeakPolarHBondContact OG-CB 3.37Å; S143-A146 PolarHBondContact OG-N 3.33Å; S143-A147 PolarHBondContact O-N 3.12Å; S143-D173 WeakPolarHBondContact CB-OD2 3.47Å
144	V	97.1	Very high	97.2	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-36.2	175.7	-171.1	0	0	0	0	110.7	L109 S148 V169 D173 Y180	L109-V144 HydrophobicContact CD2-CB 4.33Å; L109-V144 HydrophobicContact CD2-CG1 4.25Å; L109-V144 HydrophobicContact CD2-CG2 3.82Å; V144-S148 WeakPolarHBondContact O-CB 3.37Å; V144-S148 PolarHBondContact O-N 3.15Å; V144-S148 PolarHBondContact O-OG 3.49Å; V144-V169 HydrophobicContact CG1-CG1 4.13Å; V144-D173 HydrophobicContact CG2-CB 4.09Å; V144-Y180 HydrophobicContact CB-CE2 4.35Å; V144-Y180 HydrophobicContact CG1-CD2 3.8Å; V144-Y180 HydrophobicContact CG1-CE2 4.05Å
145	A	97.3	Very high	97.1	Very high	28 Å²	28	58.9 Å²	58.9	23%	0.231	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-41.7	177	0	0	0	0	0	112.5	S143 S148 K149 Y180 R188	S143-A145 PolarHBondContact O-N 3.26Å; A145-S148 PolarHBondContact O-OG 3.14Å; A145-K149 WeakPolarHBondContact O-CB 3.37Å; A145-K149 PolarHBondContact O-N 3.46Å; A145-Y180 HydrophobicContact CB-CE2 4.25Å; A145-Y180 WeakPolarHBondContact CB-OH 3.44Å; A145-R188 PolarHBondContact O-NH2 3.09Å
146	A	97.5	Very high	97	Very high	36 Å²	36	63.2 Å²	63.2	30%	0.298	30%	0.298	S	S	.	.	H	α-helix	trans	-72	-41.9	177.8	0	0	0	0	0	111.5	I142 S143 S148 K149 L150	I142-A146 HydrophobicContact CD1-CB 3.99Å; I142-A146 HydrophobicContact CG1-CB 3.71Å; S143-A146 PolarHBondContact O-N 3.11Å; S143-A146 VanDerWaalsContact O-N 3.16Å; S143-A146 WeakPolarHBondContact OG-CB 3.37Å; S143-A146 PolarHBondContact OG-N 3.33Å; A146-S148 PolarHBondContact O-N 3.26Å; A146-K149 PolarHBondContact O-N 2.85Å; A146-L150 WeakPolarHBondContact O-CG 3.47Å; A146-L150 PolarHBondContact O-N 3.31Å
147	A	97.7	Very high	97	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-48.3	176.3	0	0	0	0	0	112	L109 L127 I142 S143 K149 L150 L151	L109-A147 HydrophobicContact CD1-CB 4.03Å; L127-A147 WeakPolarHBondContact CD1-O 3.49Å; I142-A147 HydrophobicContact CD1-CB 4.34Å; I142-A147 HydrophobicContact CG2-CB 4.27Å; S143-A147 PolarHBondContact O-N 3.12Å; A147-K149 VanDerWaalsContact C-N 3.29Å; A147-K149 PolarHBondContact O-N 2.89Å; A147-L150 PolarHBondContact O-N 3.02Å; A147-L151 PolarHBondContact O-N 2.93Å
148	S	97.4	Very high	96.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-34.8	175.9	52	0	0	0	0	113	V144 A145 A146 A152 R188	V144-S148 WeakPolarHBondContact O-CB 3.37Å; V144-S148 PolarHBondContact O-N 3.15Å; V144-S148 PolarHBondContact O-OG 3.49Å; A145-S148 PolarHBondContact O-OG 3.14Å; A146-S148 PolarHBondContact O-N 3.26Å; S148-A152 PolarHBondContact O-N 3.18Å; S148-R188 PolarHBondContact OG-NE 2.94Å; S148-R188 PolarHBondContact OG-NH2 3.12Å; S148-R188 VanDerWaalsContact OG-NH2 3.14Å
149	K	97.9	Very high	96.5	Very high	111 Å²	111	60.5 Å²	60.5	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-38.9	176.6	-174.9	61.4	176.6	-177.5	0	112.4	A145 A146 A147 L151 A152 N153	A145-K149 WeakPolarHBondContact O-CB 3.37Å; A145-K149 PolarHBondContact O-N 3.46Å; A146-K149 PolarHBondContact O-N 2.85Å; A147-K149 VanDerWaalsContact C-N 3.29Å; A147-K149 PolarHBondContact O-N 2.89Å; K149-L151 VanDerWaalsContact C-N 3.31Å; K149-A152 PolarHBondContact O-N 2.86Å; K149-N153 WeakPolarHBondContact CE-OD1 3.37Å; K149-N153 WeakPolarHBondContact O-CB 3.46Å; K149-N153 PolarHBondContact O-N 2.92Å; K149-N153 PolarHBondContact O-OD1 3.19Å
150	L	97.8	Very high	96.2	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-44.2	173.8	-71.7	174.1	0	0	0	111	L127 Q130 I142 A146 A147 N153 M154	L127-L150 HydrophobicContact CD1-CB 4Å; Q130-L150 HydrophobicContact CG-CD1 3.92Å; I142-L150 HydrophobicContact CD1-CD1 3.57Å; A146-L150 WeakPolarHBondContact O-CG 3.47Å; A146-L150 PolarHBondContact O-N 3.31Å; A147-L150 PolarHBondContact O-N 3.02Å; L150-N153 PolarHBondContact O-N 2.87Å; L150-M154 WeakPolarHBondContact O-CG 3.43Å; L150-M154 PolarHBondContact O-N 3.04Å
151	L	97.4	Very high	96.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-51.1	177.5	-172.9	59.5	0	0	0	112.2	W123 L127 A147 K149 N153 M154 V155 M165 T167 V169 V182	W123-L151 HydrophobicContact CB-CD1 4.11Å; L127-L151 HydrophobicContact CB-CD1 4.44Å; L127-L151 HydrophobicContact CD1-CB 4.34Å; L127-L151 HydrophobicContact CD2-CB 4.1Å; L127-L151 HydrophobicContact CD2-CD1 4.44Å; L127-L151 HydrophobicContact CD2-CD2 4.15Å; L127-L151 HydrophobicContact CD2-CG 4.48Å; A147-L151 PolarHBondContact O-N 2.93Å; K149-L151 VanDerWaalsContact C-N 3.31Å; L151-N153 VanDerWaalsContact C-N 3.27Å; L151-N153 PolarHBondContact O-N 3.1Å; L151-M154 HydrophobicContact CD1-CE 4.07Å; L151-M154 PolarHBondContact O-N 3.01Å; L151-M154 VanDerWaalsContact O-N 3.14Å; L151-V155 HydrophobicContact CD1-CG2 4.27Å; L151-V155 WeakPolarHBondContact O-CG2 3.45Å; L151-V155 PolarHBondContact O-N 3.24Å; L151-M165 HydrophobicContact CD1-CE 3.96Å; L151-M165 HydrophobicContact CD2-CE 3.97Å; L151-M165 HydrophobicContact CG-CE 4.31Å; L151-T167 HydrophobicContact CD2-CG2 3.55Å; L151-V169 HydrophobicContact CD2-CG2 3.9Å; L151-V182 HydrophobicContact CD2-CB 4.35Å; L151-V182 HydrophobicContact CD2-CG1 4.37Å; L151-V182 HydrophobicContact CD2-CG2 4.48Å; L151-V182 HydrophobicContact CG-CG1 4.26Å
152	A	97.4	Very high	95.8	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-41.4	178.1	0	0	0	0	0	112	S148 K149 Y156 V182 R188	S148-A152 PolarHBondContact O-N 3.18Å; K149-A152 PolarHBondContact O-N 2.86Å; A152-Y156 VanDerWaalsContact O-CB 3.23Å; A152-Y156 WeakPolarHBondContact O-CB 3.47Å; A152-Y156 PolarHBondContact O-N 2.89Å; A152-V182 HydrophobicContact CB-CG1 3.95Å; A152-R188 HydrophobicContact CB-CB 4.15Å
153	N	97.4	Very high	95.6	Very high	77 Å²	77	54.5 Å²	54.5	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-66.8	-37.6	178	-70.9	-5	0	0	0	112.9	K149 L150 L151	K149-N153 WeakPolarHBondContact CE-OD1 3.37Å; K149-N153 WeakPolarHBondContact O-CB 3.46Å; K149-N153 PolarHBondContact O-N 2.92Å; K149-N153 PolarHBondContact O-OD1 3.19Å; L150-N153 PolarHBondContact O-N 2.87Å; L151-N153 VanDerWaalsContact C-N 3.27Å; L151-N153 PolarHBondContact O-N 3.1Å
154	M	95.9	Very high	95.4	Very high	30 Å²	30	53.2 Å²	53.2	15%	0.148	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-47.1	176.6	-72.1	-175.1	-62.9	0	0	111	W123 L126 L127 L150 L151 Q157	W123-M154 HydrophobicContact CE3-CB 4.11Å; W123-M154 HydrophobicContact CZ3-CB 3.98Å; L126-M154 HydrophobicContact CD2-SD 3.79Å; L126-M154 HydrophobicContact CG-SD 4.02Å; L127-M154 HydrophobicContact CB-CE 4.09Å; L127-M154 HydrophobicContact CD1-CE 4.15Å; L150-M154 WeakPolarHBondContact O-CG 3.43Å; L150-M154 PolarHBondContact O-N 3.04Å; L151-M154 HydrophobicContact CD1-CE 4.07Å; L151-M154 PolarHBondContact O-N 3.01Å; L151-M154 VanDerWaalsContact O-N 3.14Å; M154-Q157 WeakPolarHBondContact O-CB 3.33Å; M154-Q157 PolarHBondContact O-N 3.2Å
155	V	95.3	Very high	95.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.9	-38.4	-178.4	173.8	0	0	0	0	111.5	W123 L151 Q157 Y158 L163 M165	W123-V155 HydrophobicContact CG-CG2 4.37Å; L151-V155 HydrophobicContact CD1-CG2 4.27Å; L151-V155 WeakPolarHBondContact O-CG2 3.45Å; L151-V155 PolarHBondContact O-N 3.24Å; V155-Q157 PolarHBondContact O-N 3.38Å; V155-Q157 VanDerWaalsContact O-N 3.13Å; V155-Y158 PolarHBondContact O-N 3.07Å; V155-L163 HydrophobicContact CG1-CD1 4.32Å; V155-M165 HydrophobicContact CG2-SD 3.93Å
156	Y	96.4	Very high	95	Very high	138 Å²	138	52.4 Å²	52.4	54%	0.541	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-27.3	179.4	-172.4	-99.4	0	0	0	113.8	A152 Y158 K159	A152-Y156 VanDerWaalsContact O-CB 3.23Å; A152-Y156 WeakPolarHBondContact O-CB 3.47Å; A152-Y156 PolarHBondContact O-N 2.89Å; Y156-Y158 PolarHBondContact O-N 2.79Å; Y156-K159 HydrophobicContact CD2-CD 4.1Å; Y156-K159 HydrophobicContact CE2-CD 3.71Å; Y156-K159 VanDerWaalsContact O-CB 3.3Å; Y156-K159 WeakPolarHBondContact O-CB 3.47Å; Y156-K159 PolarHBondContact O-N 3.45Å
157	Q	95.9	Very high	95	Very high	137 Å²	137	50.7 Å²	50.7	64%	0.64	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.2	176.7	-66.9	175	-0.3	0	0	113	M154 V155	M154-Q157 WeakPolarHBondContact O-CB 3.33Å; M154-Q157 PolarHBondContact O-N 3.2Å; V155-Q157 PolarHBondContact O-N 3.38Å; V155-Q157 VanDerWaalsContact O-N 3.13Å
158	Y	94.7	Very high	95	Very high	100 Å²	100	50.7 Å²	50.7	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	19	-178.4	-65.3	-91	0	0	0	111.8	W123 V155 Y156 G160 M161 L163	W123-Y158 AromaticContact CH2-CD2 3.73Å; W123-Y158 HydrophobicContact CH2-CD2 3.73Å; W123-Y158 AromaticContact CH2-CE2 3.37Å; W123-Y158 HydrophobicContact CH2-CE2 3.37Å; W123-Y158 AromaticContact CZ2-CD2 3.74Å; W123-Y158 HydrophobicContact CZ2-CD2 3.74Å; W123-Y158 AromaticContact CZ2-CE2 3.77Å; W123-Y158 HydrophobicContact CZ2-CE2 3.77Å; W123-Y158 HydrophobicContact CZ2-CG 4.35Å; W123-Y158 HydrophobicContact CZ3-CE2 4.47Å; V155-Y158 PolarHBondContact O-N 3.07Å; Y156-Y158 PolarHBondContact O-N 2.79Å; Y158-G160 PolarHBondContact O-N 3.31Å; Y158-M161 HydrophobicContact CD1-SD 3.77Å; Y158-M161 HydrophobicContact CG-SD 4.44Å; Y158-M161 WeakPolarHBondContact O-CB 3.15Å; Y158-M161 PolarHBondContact O-N 2.84Å; Y158-M161 VanDerWaalsContact O-N 3.07Å; Y158-L163 VanDerWaalsContact CB-CD1 3.4Å; Y158-L163 HydrophobicContact CG-CD1 4.18Å
159	K	92.3	Very high	95	Very high	97 Å²	97	50.8 Å²	50.8	42%	0.422	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	131.6	177.4	-177.3	174.2	-177.6	165.2	0	110.5	Y156 M161 E185	Y156-K159 HydrophobicContact CD2-CD 4.1Å; Y156-K159 HydrophobicContact CE2-CD 3.71Å; Y156-K159 VanDerWaalsContact O-CB 3.3Å; Y156-K159 WeakPolarHBondContact O-CB 3.47Å; Y156-K159 PolarHBondContact O-N 3.45Å; K159-M161 VanDerWaalsContact C-N 3.27Å; K159-M161 PolarHBondContact O-N 2.97Å; K159-E185 WeakPolarHBondContact CE-OE2 3.22Å; K159-E185 IonicContact NZ-OE2 2.69Å
160	G	89.8	Confident	95	Very high	75 Å²	75	45.5 Å²	45.5	77%	0.773	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-1.5	-178.4	0	0	0	0	0	115.2	Y158 G162	Y158-G160 PolarHBondContact O-N 3.31Å; G160-G162 VanDerWaalsContact C-N 3.33Å; G160-G162 PolarHBondContact O-N 2.86Å
161	M	93.4	Very high	95	Very high	136 Å²	136	43 Å²	43	67%	0.67	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	17.2	179.7	-55.3	-176.1	-173.8	0	0	113.6	Y158 K159	Y158-M161 HydrophobicContact CD1-SD 3.77Å; Y158-M161 HydrophobicContact CG-SD 4.44Å; Y158-M161 WeakPolarHBondContact O-CB 3.15Å; Y158-M161 PolarHBondContact O-N 2.84Å; Y158-M161 VanDerWaalsContact O-N 3.07Å; K159-M161 VanDerWaalsContact C-N 3.27Å; K159-M161 PolarHBondContact O-N 2.97Å
162	G	90.1	Very high	94.9	Very high	48 Å²	48	46.6 Å²	46.6	50%	0.495	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	23.3	176.5	0	0	0	0	0	115.8	F65 G160	F65-G162 VanDerWaalsContact CE2-O 3.29Å; F65-G162 WeakPolarHBondContact CE2-O 3.22Å; F65-G162 WeakPolarHBondContact CZ-O 3.32Å; G160-G162 VanDerWaalsContact C-N 3.33Å; G160-G162 PolarHBondContact O-N 2.86Å
163	L	92.1	Very high	94.7	Very high	38 Å²	38	48 Å²	48	20%	0.199	25%	0.254	C	S	.	.			trans	-71	138.1	169.1	-72.3	-175.7	0	0	0	111.4	W123 V155 Y158 S184	W123-L163 HydrophobicContact CZ2-CD1 4.36Å; V155-L163 HydrophobicContact CG1-CD1 4.32Å; Y158-L163 VanDerWaalsContact CB-CD1 3.4Å; Y158-L163 HydrophobicContact CG-CD1 4.18Å; L163-S184 VanDerWaalsContact O-CB 3.24Å; L163-S184 WeakPolarHBondContact O-CB 3.22Å
164	S	92.4	Very high	94.4	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.049	27%	0.268	C	S	.	.			trans	-122.5	100.3	175.7	-177.4	0	0	0	0	109.8	H67 G116 D119	H67-S164 PolarHBondContact NE2-OG 3.07Å; G116-S164 WeakPolarHBondContact CA-O 3.5Å; G116-S164 PolarHBondContact N-O 3.47Å; G116-S164 PolarHBondContact N-OG 3.19Å; D119-S164 PolarHBondContact OD2-N 3.05Å
165	M	92.8	Very high	94.3	Very high	8 Å²	8	62 Å²	62	4%	0.039	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-145.6	127.3	-175.6	-175.4	168.4	-176.5	0	0	110.1	W123 E124 L151 V155 T167 D183 S184	W123-M165 HydrophobicContact CB-CE 3.96Å; W123-M165 HydrophobicContact CB-SD 3.88Å; W123-M165 HydrophobicContact CG-SD 4.23Å; E124-M165 HydrophobicContact CG-CE 3.93Å; L151-M165 HydrophobicContact CD1-CE 3.96Å; L151-M165 HydrophobicContact CD2-CE 3.97Å; L151-M165 HydrophobicContact CG-CE 4.31Å; V155-M165 HydrophobicContact CG2-SD 3.93Å; M165-T167 HydrophobicContact CE-CG2 3.36Å; M165-T167 HydrophobicContact CG-CG2 4.4Å; M165-D183 CarbonylContact O-C 3.36Å; M165-D183 VanDerWaalsContact O-CA 3.28Å; M165-D183 WeakPolarHBondContact O-CA 3.41Å; M165-S184 PolarHBondContact O-N 3.34Å
166	G	94.2	Very high	94.2	Very high	7 Å²	7	62.6 Å²	62.6	7%	0.072	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	81.2	171.6	0	0	0	0	0	109	A114 V196	A114-G166 VanDerWaalsContact CB-O 3.31Å; A114-G166 WeakPolarHBondContact CB-O 3.4Å; A114-G166 PolarHBondContact O-N 2.85Å; G166-V196 WeakPolarHBondContact O-CG1 3.48Å
167	T	96.4	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	150.4	-175.8	-175.8	0	0	0	0	111.8	T112 E124 L151 M165 V182	T112-T167 PolarHBondContact N-OG1 2.82Å; T112-T167 VanDerWaalsContact N-OG1 3.16Å; T112-T167 WeakPolarHBondContact O-CA 3.48Å; T112-T167 WeakPolarHBondContact O-CB 3.41Å; T112-T167 PolarHBondContact O-OG1 3.34Å; E124-T167 WeakPolarHBondContact OE1-CB 3.48Å; E124-T167 PolarHBondContact OE1-OG1 2.9Å; L151-T167 HydrophobicContact CD2-CG2 3.55Å; M165-T167 HydrophobicContact CE-CG2 3.36Å; M165-T167 HydrophobicContact CG-CG2 4.4Å; T167-V182 HydrophobicContact CG2-CB 4.29Å; T167-V182 PolarHBondContact N-O 3.38Å; T167-V182 PolarHBondContact O-N 2.84Å
168	M	98	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.2	168.6	-62.7	176.9	-82.8	0	0	109.3	T71 A73 G111 T112 L179 Y180 Y181 F194 V196	T71-M168 VanDerWaalsContact OG1-CE 3.24Å; T71-M168 WeakPolarHBondContact OG1-CE 3.49Å; A73-M168 HydrophobicContact CB-CE 4.22Å; A73-M168 HydrophobicContact CB-SD 3.7Å; G111-M168 WeakPolarHBondContact CA-O 3.3Å; T112-M168 HydrophobicContact CG2-CB 4.19Å; T112-M168 HydrophobicContact CG2-CE 3.94Å; T112-M168 PolarHBondContact N-O 2.89Å; T112-M168 WeakPolarHBondContact OG1-CB 3.49Å; T112-M168 PolarHBondContact OG1-N 3.33Å; M168-L179 HydrophobicContact CB-CD1 4.26Å; M168-Y180 CarbonylContact C-O 3.53Å; M168-Y180 VanDerWaalsContact CA-O 3.26Å; M168-Y180 WeakPolarHBondContact CA-O 3.29Å; M168-Y181 HydrophobicContact CG-CD2 4.29Å; M168-F194 HydrophobicContact CG-CB 4.26Å; M168-F194 HydrophobicContact SD-CB 3.49Å; M168-F194 WeakPolarHBondContact SD-CB 3.36Å; M168-V196 HydrophobicContact CE-CB 4.42Å; M168-V196 HydrophobicContact CE-CG2 4.13Å; M168-V196 HydrophobicContact CG-CG2 4.01Å; M168-V196 HydrophobicContact SD-CG2 4.03Å
169	V	98	Very high	94.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.6	173.6	-175.8	0	0	0	0	108.5	V144 L151 Y180	V144-V169 HydrophobicContact CG1-CG1 4.13Å; L151-V169 HydrophobicContact CD2-CG2 3.9Å; V169-Y180 PolarHBondContact N-O 3Å; V169-Y180 PolarHBondContact O-N 2.71Å
170	C	97.8	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.5	-176.4	-51.3	0	0	0	0	110	V80 V82 L109 L110 L179 V247	V80-C170 HydrophobicContact CG1-CB 4.37Å; V82-C170 HydrophobicContact CG2-CB 3.95Å; L109-C170 WeakPolarHBondContact CA-O 3.35Å; L110-C170 HydrophobicContact CB-CB 4.34Å; L110-C170 PolarHBondContact N-O 2.85Å; L110-C170 PolarHBondContact O-N 3.16Å; C170-L179 HydrophobicContact CB-CD1 4.47Å; C170-L179 WeakPolarHBondContact SG-CD1 3.26Å; C170-V247 HydrophobicContact CB-CG2 4.45Å
171	G	97.2	Very high	95.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	176	176.7	0	0	0	0	0	113.5	Y108 G178	Y108-G171 WeakPolarHBondContact O-CA 3.35Å; G171-G178 PolarHBondContact N-O 3.21Å; G171-G178 PolarHBondContact O-N 3.47Å
172	W	96.1	Very high	95.3	Very high	76 Å²	76	37 Å²	37	29%	0.288	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.3	170.3	-168.5	-73.6	0	0	0	110.2	P177 V247 H248	W172-P177 HydrophobicContact CE3-CB 4.2Å; W172-P177 HydrophobicContact CZ3-CB 4.3Å; W172-P177 HydrophobicContact CZ3-CG 4.36Å; W172-V247 HydrophobicContact CB-CG1 4.42Å; W172-H248 WeakPolarHBondContact CB-O 3.49Å
173	D	92.8	Very high	95.6	Very high	34 Å²	34	35.7 Å²	35.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	175.5	179.7	-164.3	11.4	0	0	0	111.4	S143 V144 R175 G176	S143-D173 WeakPolarHBondContact CB-OD2 3.47Å; V144-D173 HydrophobicContact CG2-CB 4.09Å; D173-R175 PolarHBondContact O-N 3.07Å; D173-R175 VanDerWaalsContact O-N 3.11Å; D173-G176 PolarHBondContact N-O 3Å; D173-G176 PolarHBondContact O-N 2.84Å
174	K	91.9	Very high	95.6	Very high	163 Å²	163	35 Å²	35	71%	0.709	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-27.1	171.2	-66.3	179.1	172.9	179.5	0	113	E140	E140-K174 VanDerWaalsContact OE1-CE 3.23Å; E140-K174 WeakPolarHBondContact OE1-CE 3.44Å; E140-K174 IonicContact OE1-NZ 2.57Å; E140-K174 PolarHBondContact OE1-NZ 3.42Å; E140-K174 IonicContact OE2-NZ 3.25Å; E140-K174 PolarHBondContact OE2-NZ 3.16Å
175	R	91.8	Very high	95.7	Very high	237 Å²	237	38.7 Å²	38.7	89%	0.894	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	0.8	177.7	-61.4	-177.9	-177.5	-178.8	0.4	113.9	D173	D173-R175 PolarHBondContact O-N 3.07Å; D173-R175 VanDerWaalsContact O-N 3.11Å
176	G	94.4	Very high	95.6	Very high	13 Å²	13	39.2 Å²	39.2	13%	0.134	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.6	-157.5	-175.3	0	0	0	0	0	113.2	D173 G178	D173-G176 PolarHBondContact N-O 3Å; D173-G176 PolarHBondContact O-N 2.84Å; G176-G178 PolarHBondContact O-N 3.38Å
177	P	96.5	Very high	95.6	Very high	42 Å²	42	43.1 Å²	43.1	27%	0.273	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.1	-177	25.8	-32.1	0	0	0	111.9	K75 V80 W172	K75-P177 HydrophobicContact CD-CB 4.34Å; K75-P177 HydrophobicContact CD-CG 4.43Å; V80-P177 HydrophobicContact CG2-CB 3.63Å; W172-P177 HydrophobicContact CE3-CB 4.2Å; W172-P177 HydrophobicContact CZ3-CB 4.3Å; W172-P177 HydrophobicContact CZ3-CG 4.36Å
178	G	97	Very high	95.7	Very high	9 Å²	9	47 Å²	47	9%	0.093	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.9	176.2	0	0	0	0	0	111.1	G171 G176	G171-G178 PolarHBondContact N-O 3.21Å; G171-G178 PolarHBondContact O-N 3.47Å; G176-G178 PolarHBondContact O-N 3.38Å
179	L	98.1	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	122.6	174	177.8	62.3	0	0	0	108.1	A73 K75 M168 C170 F194	A73-L179 HydrophobicContact CB-CD1 3.63Å; A73-L179 HydrophobicContact CB-CD2 4.24Å; A73-L179 WeakPolarHBondContact O-CD2 3.24Å; K75-L179 HydrophobicContact CD-CB 4.27Å; K75-L179 HydrophobicContact CG-CB 3.97Å; K75-L179 HydrophobicContact CG-CD2 4.31Å; M168-L179 HydrophobicContact CB-CD1 4.26Å; C170-L179 HydrophobicContact CB-CD1 4.47Å; C170-L179 WeakPolarHBondContact SG-CD1 3.26Å; L179-F194 HydrophobicContact CD1-CD2 4.4Å; L179-F194 HydrophobicContact CD2-CD2 3.79Å; L179-F194 HydrophobicContact CD2-CE2 4.38Å; L179-F194 HydrophobicContact CG-CD2 3.76Å; L179-F194 HydrophobicContact CG-CE2 4.14Å
180	Y	98.3	Very high	95.6	Very high	37 Å²	37	53.7 Å²	53.7	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.4	179.6	-67.6	-92.7	0	0	0	109.5	V144 A145 M168 V169 R188 V189 C190	V144-Y180 HydrophobicContact CB-CE2 4.35Å; V144-Y180 HydrophobicContact CG1-CD2 3.8Å; V144-Y180 HydrophobicContact CG1-CE2 4.05Å; A145-Y180 HydrophobicContact CB-CE2 4.25Å; A145-Y180 WeakPolarHBondContact CB-OH 3.44Å; M168-Y180 CarbonylContact C-O 3.53Å; M168-Y180 VanDerWaalsContact CA-O 3.26Å; M168-Y180 WeakPolarHBondContact CA-O 3.29Å; V169-Y180 PolarHBondContact N-O 3Å; V169-Y180 PolarHBondContact O-N 2.71Å; Y180-R188 HydrophobicContact CD1-CG 4.48Å; Y180-R188 VanDerWaalsContact CE1-CZ 3.48Å; Y180-V189 CarbonylContact C-O 3.44Å; Y180-V189 VanDerWaalsContact CA-O 3.3Å; Y180-V189 WeakPolarHBondContact CA-O 3.44Å; Y180-C190 HydrophobicContact CD1-CB 3.83Å; Y180-C190 HydrophobicContact CE1-CB 3.54Å
181	Y	98.2	Very high	95.5	Very high	57 Å²	57	54.6 Å²	54.6	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.7	168.6	170.7	-107.7	0	0	0	109.3	M168 D183 R188 V189 V196	M168-Y181 HydrophobicContact CG-CD2 4.29Å; Y181-D183 HydrophobicContact CE1-CB 3.94Å; Y181-R188 WeakPolarHBondContact O-CA 3.49Å; Y181-V189 HydrophobicContact CD1-CG2 3.81Å; Y181-V189 HydrophobicContact CG-CG2 4.29Å; Y181-V189 PolarHBondContact N-O 3.05Å; Y181-V189 PolarHBondContact O-N 2.85Å; Y181-V196 HydrophobicContact CD2-CG2 3.69Å; Y181-V196 HydrophobicContact CE2-CB 4.44Å; Y181-V196 HydrophobicContact CE2-CG1 3.91Å; Y181-V196 HydrophobicContact CE2-CG2 3.61Å
182	V	97.9	Very high	95.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.8	177.3	-177.5	0	0	0	0	109.1	L151 A152 T167 N187 R188	L151-V182 HydrophobicContact CD2-CB 4.35Å; L151-V182 HydrophobicContact CD2-CG1 4.37Å; L151-V182 HydrophobicContact CD2-CG2 4.48Å; L151-V182 HydrophobicContact CG-CG1 4.26Å; A152-V182 HydrophobicContact CB-CG1 3.95Å; T167-V182 HydrophobicContact CG2-CB 4.29Å; T167-V182 PolarHBondContact N-O 3.38Å; T167-V182 PolarHBondContact O-N 2.84Å; V182-N187 WeakPolarHBondContact CA-O 3.45Å; V182-R188 HydrophobicContact CG2-CG 4.3Å
183	D	95.1	Very high	95.5	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.112	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	172.5	177.7	72.3	14.7	0	0	0	113.7	M165 Y181 E185 G186 N187	M165-D183 CarbonylContact O-C 3.36Å; M165-D183 VanDerWaalsContact O-CA 3.28Å; M165-D183 WeakPolarHBondContact O-CA 3.41Å; Y181-D183 HydrophobicContact CE1-CB 3.94Å; D183-E185 PolarHBondContact O-N 3.36Å; D183-E185 WeakPolarHBondContact OD1-CA 3.46Å; D183-E185 WeakPolarHBondContact OD1-CB 3.32Å; D183-E185 PolarHBondContact OD1-N 3.17Å; D183-G186 PolarHBondContact O-N 3.21Å; D183-G186 VanDerWaalsContact O-N 3.14Å; D183-G186 PolarHBondContact OD1-N 3.28Å; D183-N187 PolarHBondContact N-O 2.61Å; D183-N187 WeakPolarHBondContact OD1-CA 3.48Å; D183-N187 WeakPolarHBondContact OD1-CB 3.15Å; D183-N187 PolarHBondContact OD1-N 3.48Å; D183-N187 PolarHBondContact OD1-ND2 2.84Å; D183-N187 VanDerWaalsContact OD2-CB 3.3Å; D183-N187 WeakPolarHBondContact OD2-CB 3.39Å; D183-N187 PolarHBondContact OD2-ND2 3.48Å
184	S	93.7	Very high	95.7	Very high	24 Å²	24	57 Å²	57	17%	0.168	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.1	177.4	50	0	0	0	0	114	L163 M165 G186	L163-S184 VanDerWaalsContact O-CB 3.24Å; L163-S184 WeakPolarHBondContact O-CB 3.22Å; M165-S184 PolarHBondContact O-N 3.34Å; S184-G186 PolarHBondContact O-N 2.77Å
185	E	92.8	Very high	95.9	Very high	83 Å²	83	49.5 Å²	49.5	39%	0.388	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.4	177	-60.8	-57.8	137.8	0	0	112.4	K159 D183	K159-E185 WeakPolarHBondContact CE-OE2 3.22Å; K159-E185 IonicContact NZ-OE2 2.69Å; D183-E185 PolarHBondContact O-N 3.36Å; D183-E185 WeakPolarHBondContact OD1-CA 3.46Å; D183-E185 WeakPolarHBondContact OD1-CB 3.32Å; D183-E185 PolarHBondContact OD1-N 3.17Å
186	G	90.9	Very high	96.2	Very high	19 Å²	19	39.1 Å²	39.1	20%	0.196	22%	0.22	C	C	.	.			trans	82	11.7	-177.4	0	0	0	0	0	113.6	D183 S184	D183-G186 PolarHBondContact O-N 3.21Å; D183-G186 VanDerWaalsContact O-N 3.14Å; D183-G186 PolarHBondContact OD1-N 3.28Å; S184-G186 PolarHBondContact O-N 2.77Å
187	N	95.4	Very high	96.1	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	22%	0.224	S	C	.	.			trans	-67.3	140.3	171.6	-58.1	-51.2	0	0	0	109.2	V182 D183	V182-N187 WeakPolarHBondContact CA-O 3.45Å; D183-N187 PolarHBondContact N-O 2.61Å; D183-N187 WeakPolarHBondContact OD1-CA 3.48Å; D183-N187 WeakPolarHBondContact OD1-CB 3.15Å; D183-N187 PolarHBondContact OD1-N 3.48Å; D183-N187 PolarHBondContact OD1-ND2 2.84Å; D183-N187 VanDerWaalsContact OD2-CB 3.3Å; D183-N187 WeakPolarHBondContact OD2-CB 3.39Å; D183-N187 PolarHBondContact OD2-ND2 3.48Å
188	R	97.3	Very high	96	Very high	81 Å²	81	39.4 Å²	39.4	31%	0.306	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	114.6	178.2	177.8	-176.5	167.5	-77.8	6	109.2	A145 S148 A152 Y180 Y181 V182	A145-R188 PolarHBondContact O-NH2 3.09Å; S148-R188 PolarHBondContact OG-NE 2.94Å; S148-R188 PolarHBondContact OG-NH2 3.12Å; S148-R188 VanDerWaalsContact OG-NH2 3.14Å; A152-R188 HydrophobicContact CB-CB 4.15Å; Y180-R188 HydrophobicContact CD1-CG 4.48Å; Y180-R188 VanDerWaalsContact CE1-CZ 3.48Å; Y181-R188 WeakPolarHBondContact O-CA 3.49Å; V182-R188 HydrophobicContact CG2-CG 4.3Å
189	V	97.6	Very high	95.9	Very high	68 Å²	68	39 Å²	39	41%	0.412	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.4	-179.7	-61	0	0	0	0	110.6	Y180 Y181 F194	Y180-V189 CarbonylContact C-O 3.44Å; Y180-V189 VanDerWaalsContact CA-O 3.3Å; Y180-V189 WeakPolarHBondContact CA-O 3.44Å; Y181-V189 HydrophobicContact CD1-CG2 3.81Å; Y181-V189 HydrophobicContact CG-CG2 4.29Å; Y181-V189 PolarHBondContact N-O 3.05Å; Y181-V189 PolarHBondContact O-N 2.85Å; V189-F194 HydrophobicContact CG2-CE1 3.82Å; V189-F194 HydrophobicContact CG2-CZ 3.76Å
190	C	97	Very high	95.7	Very high	74 Å²	74	39.9 Å²	39.9	50%	0.5	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.8	171.5	-178.1	0	0	0	0	108	Y180	Y180-C190 HydrophobicContact CD1-CB 3.83Å; Y180-C190 HydrophobicContact CE1-CB 3.54Å
191	G	95.1	Very high	95.6	Very high	19 Å²	19	45.1 Å²	45.1	20%	0.196	25%	0.254	C	S	.	.			trans	-165.6	174.6	179.1	0	0	0	0	0	110.9	K75	K75-G191 WeakPolarHBondContact CE-O 3.49Å; K75-G191 PolarHBondContact NZ-O 3.17Å
192	D	95.6	Very high	95.5	Very high	102 Å²	102	47.8 Å²	47.8	55%	0.545	26%	0.264	S	S	.	.	S	Bend	trans	-100.9	-16	-177.2	-61.9	-31.5	0	0	0	113	F74 K75	F74-D192 CarbonylContact C-O 3.55Å; F74-D192 WeakPolarHBondContact CA-O 3.3Å; F74-D192 WeakPolarHBondContact CB-O 3.45Å; K75-D192 WeakPolarHBondContact CD-OD1 3.46Å; K75-D192 PolarHBondContact N-O 3.26Å; K75-D192 IonicContact NZ-OD1 3.9Å; K75-D192 PolarHBondContact NZ-OD1 3.41Å
193	L	97.1	Very high	95.5	Very high	29 Å²	29	47.8 Å²	47.8	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.5	177	170.6	67.4	0	0	0	108.2	L72 F74 Y204 M207 L211	L72-L193 HydrophobicContact CD1-CD1 3.53Å; F74-L193 HydrophobicContact CB-CB 4.35Å; F74-L193 HydrophobicContact CB-CD1 3.67Å; L193-Y204 HydrophobicContact CD2-CD1 3.95Å; L193-Y204 HydrophobicContact CD2-CE1 4.01Å; L193-Y204 HydrophobicContact CG-CD1 4.38Å; L193-Y204 HydrophobicContact CG-CE1 3.99Å; L193-M207 HydrophobicContact CD1-CB 4.2Å; L193-M207 HydrophobicContact CD1-CE 3.85Å; L193-M207 HydrophobicContact CD1-CG 4.18Å; L193-M207 HydrophobicContact CD2-CB 4.02Å; L193-L211 HydrophobicContact CB-CD2 4.07Å; L193-L211 HydrophobicContact CD1-CD2 4.48Å; L193-L211 HydrophobicContact CD2-CD2 4.04Å; L193-L211 HydrophobicContact CG-CD2 4.43Å
194	F	97.9	Very high	95.6	Very high	29 Å²	29	50 Å²	50	13%	0.127	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.8	167.2	-66.5	-67.7	0	0	0	109.6	L72 A73 M168 L179 V189	L72-F194 WeakPolarHBondContact CA-O 3.41Å; A73-F194 PolarHBondContact N-O 3.48Å; A73-F194 PolarHBondContact O-N 3.01Å; M168-F194 HydrophobicContact CG-CB 4.26Å; M168-F194 HydrophobicContact SD-CB 3.49Å; M168-F194 WeakPolarHBondContact SD-CB 3.36Å; L179-F194 HydrophobicContact CD1-CD2 4.4Å; L179-F194 HydrophobicContact CD2-CD2 3.79Å; L179-F194 HydrophobicContact CD2-CE2 4.38Å; L179-F194 HydrophobicContact CG-CD2 3.76Å; L179-F194 HydrophobicContact CG-CE2 4.14Å; V189-F194 HydrophobicContact CG2-CE1 3.82Å; V189-F194 HydrophobicContact CG2-CZ 3.76Å
195	A	97	Very high	95.7	Very high	7 Å²	7	51.4 Å²	51.4	6%	0.058	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.7	162.8	0	0	0	0	0	108.8	T71 L72 S200 A203 Y204	T71-A195 CarbonylContact O-C 3.52Å; T71-A195 VanDerWaalsContact O-CA 3.23Å; T71-A195 WeakPolarHBondContact O-CA 3.23Å; L72-A195 HydrophobicContact CD1-CB 4.05Å; A195-S200 VanDerWaalsContact C-CB 3.5Å; A195-S200 WeakPolarHBondContact O-CB 3.32Å; A195-A203 HydrophobicContact CB-CB 4.12Å; A195-Y204 HydrophobicContact CB-CD2 3.96Å; A195-Y204 HydrophobicContact CB-CE1 4.25Å; A195-Y204 HydrophobicContact CB-CE2 3.67Å; A195-Y204 HydrophobicContact CB-CG 4.36Å; A195-Y204 VanDerWaalsContact N-CZ 3.33Å; A195-Y204 PolarHBondContact N-OH 2.89Å; A195-Y204 PolarHBondContact O-OH 3.27Å
196	V	96.1	Very high	95.8	Very high	18 Å²	18	48.7 Å²	48.7	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.1	-174.7	-171.1	0	0	0	0	110	T71 A114 G166 M168 Y181	T71-V196 PolarHBondContact N-O 3.07Å; T71-V196 PolarHBondContact O-N 3.35Å; T71-V196 PolarHBondContact OG1-O 2.93Å; A114-V196 HydrophobicContact CB-CB 4.39Å; A114-V196 HydrophobicContact CB-CG1 3.78Å; G166-V196 WeakPolarHBondContact O-CG1 3.48Å; M168-V196 HydrophobicContact CE-CB 4.42Å; M168-V196 HydrophobicContact CE-CG2 4.13Å; M168-V196 HydrophobicContact CG-CG2 4.01Å; M168-V196 HydrophobicContact SD-CG2 4.03Å; Y181-V196 HydrophobicContact CD2-CG2 3.69Å; Y181-V196 HydrophobicContact CE2-CB 4.44Å; Y181-V196 HydrophobicContact CE2-CG1 3.91Å; Y181-V196 HydrophobicContact CE2-CG2 3.61Å
197	G	93.9	Very high	96.1	Very high	22 Å²	22	47.8 Å²	47.8	23%	0.227	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.1	-176.8	-179.5	0	0	0	0	0	112.9	T69 G199 S200	T69-G197 CarbonylContact O-C 3.24Å; T69-G197 VanDerWaalsContact O-C 3.24Å; T69-G197 WeakPolarHBondContact O-CA 3.45Å; G197-G199 PolarHBondContact O-N 3.38Å; G197-S200 VanDerWaalsContact O-CB 3.23Å; G197-S200 WeakPolarHBondContact O-CB 3.44Å; G197-S200 PolarHBondContact O-N 3.11Å; G197-S200 PolarHBondContact O-OG 3.22Å
198	S	93.6	Very high	96.1	Very high	40 Å²	40	49 Å²	49	28%	0.28	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.7	-176.2	48.9	0	0	0	0	113.3	H67 T69 S200 D235	H67-S198 VanDerWaalsContact O-CB 3.26Å; H67-S198 WeakPolarHBondContact O-CB 3.49Å; H67-S198 PolarHBondContact O-OG 3.02Å; T69-S198 PolarHBondContact N-OG 2.89Å; T69-S198 PolarHBondContact O-N 2.97Å; T69-S198 PolarHBondContact O-OG 2.88Å; S198-S200 VanDerWaalsContact C-N 3.34Å; S198-D235 WeakPolarHBondContact CB-OD2 3.01Å; S198-D235 PolarHBondContact OG-OD2 3Å
199	G	94.5	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11	179.3	0	0	0	0	0	114.5	T69 T70 G197 M201 Y202 A203 D235	T69-G199 PolarHBondContact O-N 2.96Å; T70-G199 WeakPolarHBondContact OG1-CA 3.22Å; T70-G199 PolarHBondContact OG1-N 3.42Å; G197-G199 PolarHBondContact O-N 3.38Å; G199-M201 VanDerWaalsContact C-N 3.3Å; G199-M201 PolarHBondContact O-N 3.17Å; G199-Y202 PolarHBondContact O-N 2.84Å; G199-Y202 VanDerWaalsContact O-N 3.17Å; G199-A203 PolarHBondContact O-N 3.31Å; G199-D235 PolarHBondContact N-OD2 3.3Å; G199-D235 VanDerWaalsContact N-OD2 3.16Å
200	S	95.1	Very high	95.5	Very high	19 Å²	19	48 Å²	48	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-41.3	-179.3	55.1	0	0	0	0	113.2	A195 G197 S198 Y202 A203 Y204	A195-S200 VanDerWaalsContact C-CB 3.5Å; A195-S200 WeakPolarHBondContact O-CB 3.32Å; G197-S200 VanDerWaalsContact O-CB 3.23Å; G197-S200 WeakPolarHBondContact O-CB 3.44Å; G197-S200 PolarHBondContact O-N 3.11Å; G197-S200 PolarHBondContact O-OG 3.22Å; S198-S200 VanDerWaalsContact C-N 3.34Å; S200-Y202 VanDerWaalsContact C-N 3.3Å; S200-Y202 PolarHBondContact O-N 3.36Å; S200-A203 WeakPolarHBondContact O-CB 3.38Å; S200-A203 PolarHBondContact O-N 3.24Å; S200-A203 VanDerWaalsContact O-N 3.11Å; S200-Y204 VanDerWaalsContact O-CD2 3.25Å; S200-Y204 WeakPolarHBondContact O-CD2 3.36Å; S200-Y204 PolarHBondContact O-N 3.3Å
201	M	95.2	Very high	95.3	Very high	146 Å²	146	47 Å²	47	72%	0.719	28%	0.278	S	S	*	.	H	α-helix	trans	-61.7	-37	179.8	-60.8	-65.2	-76.8	0	0	112.4	G199 G205	G199-M201 VanDerWaalsContact C-N 3.3Å; G199-M201 PolarHBondContact O-N 3.17Å; M201-G205 PolarHBondContact O-N 3.46Å
202	Y	96.7	Very high	95.3	Very high	113 Å²	113	53 Å²	53	44%	0.443	29%	0.294	S	S	.	.	H	α-helix	trans	-70.6	-35.8	175.8	-57.8	-54.4	0	0	0	111.8	G199 S200 R234 D235	G199-Y202 PolarHBondContact O-N 2.84Å; G199-Y202 VanDerWaalsContact O-N 3.17Å; S200-Y202 VanDerWaalsContact C-N 3.3Å; S200-Y202 PolarHBondContact O-N 3.36Å; Y202-R234 HydrophobicContact CD1-CB 3.89Å; Y202-R234 HydrophobicContact CD1-CG 4.33Å; Y202-R234 HydrophobicContact CD2-CB 3.77Å; Y202-R234 HydrophobicContact CE1-CB 3.9Å; Y202-R234 HydrophobicContact CE2-CB 3.78Å; Y202-R234 HydrophobicContact CG-CB 3.83Å; Y202-D235 HydrophobicContact CD2-CB 3.97Å; Y202-D235 HydrophobicContact CE2-CB 3.89Å
203	A	96.9	Very high	95	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.5	-41.9	175.8	0	0	0	0	0	111.7	T70 A195 G199 S200 G205 V206 M207 A231	T70-A203 HydrophobicContact CG2-CB 4.11Å; A195-A203 HydrophobicContact CB-CB 4.12Å; G199-A203 PolarHBondContact O-N 3.31Å; S200-A203 WeakPolarHBondContact O-CB 3.38Å; S200-A203 PolarHBondContact O-N 3.24Å; S200-A203 VanDerWaalsContact O-N 3.11Å; A203-G205 VanDerWaalsContact C-N 3.34Å; A203-G205 PolarHBondContact O-N 3.03Å; A203-V206 PolarHBondContact O-N 3.37Å; A203-M207 VanDerWaalsContact O-CG 3.29Å; A203-M207 WeakPolarHBondContact O-CG 3.44Å; A203-M207 PolarHBondContact O-N 2.76Å; A203-A231 HydrophobicContact CB-CB 4.4Å
204	Y	97.3	Very high	94.8	Very high	68 Å²	68	57.3 Å²	57.3	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-45.5	177	-82	-63.9	0	0	0	112.4	L193 A195 S200 V206 M207 D208	L193-Y204 HydrophobicContact CD2-CD1 3.95Å; L193-Y204 HydrophobicContact CD2-CE1 4.01Å; L193-Y204 HydrophobicContact CG-CD1 4.38Å; L193-Y204 HydrophobicContact CG-CE1 3.99Å; A195-Y204 HydrophobicContact CB-CD2 3.96Å; A195-Y204 HydrophobicContact CB-CE1 4.25Å; A195-Y204 HydrophobicContact CB-CE2 3.67Å; A195-Y204 HydrophobicContact CB-CG 4.36Å; A195-Y204 VanDerWaalsContact N-CZ 3.33Å; A195-Y204 PolarHBondContact N-OH 2.89Å; A195-Y204 PolarHBondContact O-OH 3.27Å; S200-Y204 VanDerWaalsContact O-CD2 3.25Å; S200-Y204 WeakPolarHBondContact O-CD2 3.36Å; S200-Y204 PolarHBondContact O-N 3.3Å; Y204-V206 VanDerWaalsContact C-N 3.26Å; Y204-V206 PolarHBondContact O-N 2.57Å; Y204-M207 PolarHBondContact O-N 2.88Å; Y204-M207 VanDerWaalsContact O-N 3.1Å; Y204-D208 WeakPolarHBondContact O-CB 3.36Å; Y204-D208 PolarHBondContact O-N 2.87Å
205	G	96	Very high	94.7	Very high	53 Å²	53	56.2 Å²	56.2	55%	0.546	32%	0.315	S	S	.	.	H	α-helix	trans	-58.4	-35.1	-179.4	0	0	0	0	0	114.1	M201 A203	M201-G205 PolarHBondContact O-N 3.46Å; A203-G205 VanDerWaalsContact C-N 3.34Å; A203-G205 PolarHBondContact O-N 3.03Å
206	V	96	Very high	94.7	Very high	26 Å²	26	57.8 Å²	57.8	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-76.5	-44.3	175.1	-178.2	0	0	0	0	110.8	A203 Y204 S209 L223 A227 Q230	A203-V206 PolarHBondContact O-N 3.37Å; Y204-V206 VanDerWaalsContact C-N 3.26Å; Y204-V206 PolarHBondContact O-N 2.57Å; V206-S209 PolarHBondContact O-N 3.4Å; V206-S209 PolarHBondContact O-OG 2.77Å; V206-L223 HydrophobicContact CG1-CD1 4.5Å; V206-A227 HydrophobicContact CB-CB 4.08Å; V206-A227 HydrophobicContact CG1-CB 4.06Å; V206-Q230 HydrophobicContact CG2-CB 3.77Å; V206-Q230 HydrophobicContact CG2-CG 3.85Å
207	M	96.3	Very high	94.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-45.6	-177.4	-72.2	-58.5	-60.5	0	0	112.4	L72 F74 L193 A203 Y204 S209 G210 L211 L223 A227	L72-M207 HydrophobicContact CD1-CE 4.45Å; L72-M207 HydrophobicContact CD1-CG 3.76Å; L72-M207 HydrophobicContact CD1-SD 4.29Å; L72-M207 HydrophobicContact CD2-CE 4.34Å; L72-M207 HydrophobicContact CD2-CG 3.87Å; L72-M207 HydrophobicContact CD2-SD 3.56Å; L72-M207 VanDerWaalsContact CD2-SD 3.56Å; L72-M207 HydrophobicContact CG-CG 4.49Å; F74-M207 HydrophobicContact CB-CE 4.14Å; F74-M207 HydrophobicContact CD1-CE 3.25Å; F74-M207 HydrophobicContact CD1-SD 4.35Å; F74-M207 HydrophobicContact CD2-CE 4.11Å; F74-M207 HydrophobicContact CE1-CE 3.5Å; F74-M207 HydrophobicContact CE1-SD 4.27Å; F74-M207 HydrophobicContact CE2-CE 4.32Å; F74-M207 HydrophobicContact CG-CE 3.57Å; F74-M207 HydrophobicContact CZ-CE 4.03Å; L193-M207 HydrophobicContact CD1-CB 4.2Å; L193-M207 HydrophobicContact CD1-CE 3.85Å; L193-M207 HydrophobicContact CD1-CG 4.18Å; L193-M207 HydrophobicContact CD2-CB 4.02Å; A203-M207 VanDerWaalsContact O-CG 3.29Å; A203-M207 WeakPolarHBondContact O-CG 3.44Å; A203-M207 PolarHBondContact O-N 2.76Å; Y204-M207 PolarHBondContact O-N 2.88Å; Y204-M207 VanDerWaalsContact O-N 3.1Å; M207-S209 PolarHBondContact O-N 2.72Å; M207-G210 PolarHBondContact O-N 3.15Å; M207-G210 VanDerWaalsContact O-N 3.08Å; M207-L211 HydrophobicContact CE-CB 4.44Å; M207-L211 HydrophobicContact CE-CD1 4.13Å; M207-L211 WeakPolarHBondContact O-CB 3.25Å; M207-L211 PolarHBondContact O-N 3.32Å; M207-L223 HydrophobicContact CE-CD2 3.86Å; M207-L223 HydrophobicContact CE-CG 4.15Å; M207-L223 HydrophobicContact SD-CD1 4.3Å; M207-L223 HydrophobicContact SD-CD2 4.1Å; M207-L223 HydrophobicContact SD-CG 3.74Å; M207-A227 HydrophobicContact CG-CB 3.92Å; M207-A227 HydrophobicContact SD-CB 3.75Å
208	D	95.1	Very high	94.8	Very high	115 Å²	115	64.3 Å²	64.3	62%	0.615	35%	0.352	S	S	*	.	H	α-helix	trans	-63.7	-25.3	-177.9	-69	-17.7	0	0	0	112.5	Y204	Y204-D208 WeakPolarHBondContact O-CB 3.36Å; Y204-D208 PolarHBondContact O-N 2.87Å
209	S	92.9	Very high	94.9	Very high	103 Å²	103	66.8 Å²	66.8	72%	0.72	36%	0.359	S	S	*	.	H	α-helix	trans	-77.7	-26.6	176.7	76	0	0	0	0	114.1	V206 M207	V206-S209 PolarHBondContact O-N 3.4Å; V206-S209 PolarHBondContact O-OG 2.77Å; M207-S209 PolarHBondContact O-N 2.72Å
210	G	90.4	Very high	95	Very high	25 Å²	25	66.8 Å²	66.8	26%	0.258	36%	0.359	S	S	.	.	H	α-helix	trans	-122.2	-13.8	-168	0	0	0	0	0	115.5	M207 R212	M207-G210 PolarHBondContact O-N 3.15Å; M207-G210 VanDerWaalsContact O-N 3.08Å; G210-R212 PolarHBondContact O-N 2.92Å
211	L	93.4	Very high	95.1	Very high	54 Å²	54	66.2 Å²	66.2	28%	0.283	36%	0.355	S	S	.	.			trans	-73	121.4	-174.2	-176.8	62.4	0	0	0	111.1	F74 L193 M207 L215 L223	F74-L211 HydrophobicContact CB-CD1 4.45Å; F74-L211 HydrophobicContact CD2-CD1 3.44Å; F74-L211 VanDerWaalsContact CD2-CD1 3.44Å; F74-L211 HydrophobicContact CE2-CD1 3.87Å; F74-L211 HydrophobicContact CG-CD1 4.12Å; L193-L211 HydrophobicContact CB-CD2 4.07Å; L193-L211 HydrophobicContact CD1-CD2 4.48Å; L193-L211 HydrophobicContact CD2-CD2 4.04Å; L193-L211 HydrophobicContact CG-CD2 4.43Å; M207-L211 HydrophobicContact CE-CB 4.44Å; M207-L211 HydrophobicContact CE-CD1 4.13Å; M207-L211 WeakPolarHBondContact O-CB 3.25Å; M207-L211 PolarHBondContact O-N 3.32Å; L211-L215 HydrophobicContact CD1-CD1 4.39Å; L211-L223 HydrophobicContact CB-CD2 4.31Å; L211-L223 HydrophobicContact CD1-CD2 4.41Å
212	R	93.5	Very high	95.1	Very high	143 Å²	143	61.3 Å²	61.3	54%	0.54	33%	0.33	S	S	.	.			trans	-135.9	148.9	173	-59.2	179.5	-61.8	-171	3.6	109.1	G210 S214 L215	G210-R212 PolarHBondContact O-N 2.92Å; R212-S214 VanDerWaalsContact C-N 3.26Å; R212-S214 PolarHBondContact O-N 3.19Å; R212-L215 HydrophobicContact CB-CD2 4.42Å; R212-L215 HydrophobicContact CB-CG 4.15Å; R212-L215 WeakPolarHBondContact O-CD1 3.49Å; R212-L215 VanDerWaalsContact O-CG 3.26Å; R212-L215 WeakPolarHBondContact O-CG 3.32Å
213	H	89.6	Confident	95.2	Very high	137 Å²	137	56.7 Å²	56.7	63%	0.634	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-29.5	-179.5	-164.4	-78.8	0	0	0	112.6	Q77 L215	Q77-H213 VanDerWaalsContact CB-O 3.3Å; Q77-H213 WeakPolarHBondContact CB-O 3.37Å; Q77-H213 PolarHBondContact N-O 2.81Å; Q77-H213 VanDerWaalsContact N-O 3.14Å; H213-L215 PolarHBondContact O-N 3.3Å
214	S	93.8	Very high	95.2	Very high	85 Å²	85	56.7 Å²	56.7	59%	0.594	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	28.2	-175.8	65.2	0	0	0	0	114.3	R212	R212-S214 VanDerWaalsContact C-N 3.26Å; R212-S214 PolarHBondContact O-N 3.19Å
215	L	94.6	Very high	95.2	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.307	C	S	.	.			trans	-72.4	144.6	177.1	-70.8	169.3	0	0	0	111.2	L211 R212 H213 E219 A220 L223	L211-L215 HydrophobicContact CD1-CD1 4.39Å; R212-L215 HydrophobicContact CB-CD2 4.42Å; R212-L215 HydrophobicContact CB-CG 4.15Å; R212-L215 WeakPolarHBondContact O-CD1 3.49Å; R212-L215 VanDerWaalsContact O-CG 3.26Å; R212-L215 WeakPolarHBondContact O-CG 3.32Å; H213-L215 PolarHBondContact O-N 3.3Å; L215-E219 HydrophobicContact CB-CB 4.43Å; L215-E219 HydrophobicContact CD2-CB 4.03Å; L215-A220 HydrophobicContact CB-CB 4.28Å; L215-L223 HydrophobicContact CD1-CD2 3.95Å
216	S	96.9	Very high	95.2	Very high	39 Å²	39	57.3 Å²	57.3	27%	0.273	30%	0.298	S	S	.	.			trans	-67.4	165.2	165.1	96.4	0	0	0	0	110.7	E218 E219 A220	S216-E218 VanDerWaalsContact C-N 3.3Å; S216-E218 PolarHBondContact O-N 3.33Å; S216-E218 PolarHBondContact OG-N 3.27Å; S216-E218 PolarHBondContact OG-OE2 3.42Å; S216-E219 PolarHBondContact N-OE2 3.22Å; S216-E219 VanDerWaalsContact N-OE2 3.11Å; S216-E219 PolarHBondContact O-N 3.36Å; S216-E219 PolarHBondContact OG-N 2.96Å; S216-E219 VanDerWaalsContact OG-N 3.15Å; S216-A220 VanDerWaalsContact O-CB 3.31Å; S216-A220 WeakPolarHBondContact O-CB 3.39Å; S216-A220 PolarHBondContact O-N 2.66Å
217	V	95.8	Very high	95.3	Very high	41 Å²	41	56 Å²	56	25%	0.248	29%	0.291	C	S	.	.	H	α-helix	trans	-62.4	-41.4	177.2	178.6	0	0	0	0	110.6	F76 H78 A220 C221	F76-V217 HydrophobicContact CE2-CG2 4.18Å; F76-V217 HydrophobicContact CZ-CG2 4.29Å; H78-V217 HydrophobicContact CB-CG2 3.84Å; V217-A220 PolarHBondContact O-N 3.05Å; V217-C221 WeakPolarHBondContact O-CB 3.23Å; V217-C221 PolarHBondContact O-N 3.29Å; V217-C221 PolarHBondContact O-SG 3.25Å
218	E	96.3	Very high	95.3	Very high	137 Å²	137	56 Å²	56	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-66.9	-44.9	179.8	-58	70.9	-152.7	0	0	111.3	S216 C221 E222	S216-E218 VanDerWaalsContact C-N 3.3Å; S216-E218 PolarHBondContact O-N 3.33Å; S216-E218 PolarHBondContact OG-N 3.27Å; S216-E218 PolarHBondContact OG-OE2 3.42Å; E218-C221 PolarHBondContact O-N 2.84Å; E218-E222 WeakPolarHBondContact O-CB 3.23Å; E218-E222 PolarHBondContact O-N 3.17Å
219	E	96.6	Very high	95.5	Very high	92 Å²	92	51.3 Å²	51.3	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-43.1	176	-70.1	-178.3	143.5	0	0	111.6	L215 S216 E222 L223	L215-E219 HydrophobicContact CB-CB 4.43Å; L215-E219 HydrophobicContact CD2-CB 4.03Å; S216-E219 PolarHBondContact N-OE2 3.22Å; S216-E219 VanDerWaalsContact N-OE2 3.11Å; S216-E219 PolarHBondContact O-N 3.36Å; S216-E219 PolarHBondContact OG-N 2.96Å; S216-E219 VanDerWaalsContact OG-N 3.15Å; E219-E222 PolarHBondContact O-N 2.83Å; E219-L223 WeakPolarHBondContact O-CB 3.4Å; E219-L223 PolarHBondContact O-N 3.47Å
220	A	96.9	Very high	95.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-43.2	176.6	0	0	0	0	0	111.6	F74 F76 I81 L215 S216 V217 E222 L223 G224	F74-A220 HydrophobicContact CE2-CB 4.05Å; F74-A220 HydrophobicContact CZ-CB 4.09Å; F74-A220 WeakPolarHBondContact CZ-O 3.46Å; F76-A220 HydrophobicContact CD1-CB 4.46Å; F76-A220 HydrophobicContact CD2-CB 4.01Å; F76-A220 HydrophobicContact CE1-CB 4.4Å; F76-A220 HydrophobicContact CE2-CB 3.88Å; F76-A220 HydrophobicContact CG-CB 4.3Å; F76-A220 HydrophobicContact CZ-CB 4.1Å; I81-A220 HydrophobicContact CG1-CB 3.93Å; L215-A220 HydrophobicContact CB-CB 4.28Å; S216-A220 VanDerWaalsContact O-CB 3.31Å; S216-A220 WeakPolarHBondContact O-CB 3.39Å; S216-A220 PolarHBondContact O-N 2.66Å; V217-A220 PolarHBondContact O-N 3.05Å; A220-E222 VanDerWaalsContact C-N 3.32Å; A220-E222 PolarHBondContact O-N 2.72Å; A220-L223 PolarHBondContact O-N 3.09Å; A220-G224 PolarHBondContact O-N 3.41Å
221	C	96.9	Very high	96	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-42.3	175.1	-69.4	0	0	0	0	111.6	V217 E218 R225 L244	V217-C221 WeakPolarHBondContact O-CB 3.23Å; V217-C221 PolarHBondContact O-N 3.29Å; V217-C221 PolarHBondContact O-SG 3.25Å; E218-C221 PolarHBondContact O-N 2.84Å; C221-R225 VanDerWaalsContact O-CB 3.29Å; C221-R225 WeakPolarHBondContact O-CB 3.41Å; C221-R225 PolarHBondContact O-N 3.31Å; C221-L244 HydrophobicContact CB-CD1 4.41Å; C221-L244 HydrophobicContact CB-CD2 3.83Å; C221-L244 WeakPolarHBondContact O-CD1 3.3Å; C221-L244 WeakPolarHBondContact SG-CD2 3.47Å
222	E	96.4	Very high	96.1	Very high	43 Å²	43	46.9 Å²	46.9	20%	0.201	23%	0.225	C	C	.	.	H	α-helix	trans	-68	-40.1	178.5	179.3	53.7	-154.9	0	0	112.4	E218 E219 A220 R225 R226 Y267	E218-E222 WeakPolarHBondContact O-CB 3.23Å; E218-E222 PolarHBondContact O-N 3.17Å; E219-E222 PolarHBondContact O-N 2.83Å; A220-E222 VanDerWaalsContact C-N 3.32Å; A220-E222 PolarHBondContact O-N 2.72Å; E222-R225 PolarHBondContact O-N 3.04Å; E222-R225 IonicContact OE2-CZ 2.82Å; E222-R225 IonicContact OE2-NH1 3.83Å; E222-R225 PolarHBondContact OE2-NH1 3.38Å; E222-R226 VanDerWaalsContact O-CB 3.3Å; E222-R226 WeakPolarHBondContact O-CB 3.19Å; E222-R226 PolarHBondContact O-N 3.28Å; E222-R226 IonicContact OE1-CZ 3.38Å; E222-R226 IonicContact OE1-NE 2.72Å; E222-R226 PolarHBondContact OE1-NE 3.36Å; E222-R226 IonicContact OE1-NH2 3.05Å; E222-R226 PolarHBondContact OE1-NH2 3.31Å; E222-Y267 WeakPolarHBondContact OE1-CE1 3.11Å; E222-Y267 PolarHBondContact OE1-OH 3.05Å
223	L	96.9	Very high	96.2	Very high	15 Å²	15	46.7 Å²	46.7	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-48.5	174.6	-179.7	63	0	0	0	111.2	V206 M207 L211 L215 E219 A220 R225 R226 A227	V206-L223 HydrophobicContact CG1-CD1 4.5Å; M207-L223 HydrophobicContact CE-CD2 3.86Å; M207-L223 HydrophobicContact CE-CG 4.15Å; M207-L223 HydrophobicContact SD-CD1 4.3Å; M207-L223 HydrophobicContact SD-CD2 4.1Å; M207-L223 HydrophobicContact SD-CG 3.74Å; L211-L223 HydrophobicContact CB-CD2 4.31Å; L211-L223 HydrophobicContact CD1-CD2 4.41Å; L215-L223 HydrophobicContact CD1-CD2 3.95Å; E219-L223 WeakPolarHBondContact O-CB 3.4Å; E219-L223 PolarHBondContact O-N 3.47Å; A220-L223 PolarHBondContact O-N 3.09Å; L223-R225 PolarHBondContact O-N 2.95Å; L223-R226 PolarHBondContact O-N 3.21Å; L223-A227 WeakPolarHBondContact O-CB 3.27Å; L223-A227 PolarHBondContact O-N 2.76Å
224	G	97.1	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-41.9	177.5	0	0	0	0	0	112.8	A220 A227 I228	A220-G224 PolarHBondContact O-N 3.41Å; G224-A227 PolarHBondContact O-N 3.44Å; G224-I228 PolarHBondContact O-N 3.04Å; G224-I228 VanDerWaalsContact O-N 3.16Å
225	R	97.3	Very high	96.7	Very high	41 Å²	41	44.7 Å²	44.7	16%	0.155	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-48	176	-179.2	-174.4	-65.2	116.6	4.7	111.7	C221 E222 L223 I228 Y229 L244 S256 L263	C221-R225 VanDerWaalsContact O-CB 3.29Å; C221-R225 WeakPolarHBondContact O-CB 3.41Å; C221-R225 PolarHBondContact O-N 3.31Å; E222-R225 PolarHBondContact O-N 3.04Å; E222-R225 IonicContact OE2-CZ 2.82Å; E222-R225 IonicContact OE2-NH1 3.83Å; E222-R225 PolarHBondContact OE2-NH1 3.38Å; L223-R225 PolarHBondContact O-N 2.95Å; R225-I228 PolarHBondContact O-N 3.01Å; R225-Y229 WeakPolarHBondContact O-CB 3.31Å; R225-Y229 PolarHBondContact O-N 2.74Å; R225-L244 HydrophobicContact CB-CD1 4.23Å; R225-S256 PolarHBondContact NH2-OG 3.43Å; R225-L263 HydrophobicContact CG-CD1 3.86Å; R225-L263 HydrophobicContact CG-CD2 4.03Å
226	R	96.8	Very high	96.7	Very high	93 Å²	93	48 Å²	48	35%	0.351	23%	0.229	S	C	.	.	H	α-helix	trans	-66.1	-39.2	-179.9	-168.3	176.5	-59.6	139.6	2.3	112.1	E222 L223 Y229 Q230	E222-R226 VanDerWaalsContact O-CB 3.3Å; E222-R226 WeakPolarHBondContact O-CB 3.19Å; E222-R226 PolarHBondContact O-N 3.28Å; E222-R226 IonicContact OE1-CZ 3.38Å; E222-R226 IonicContact OE1-NE 2.72Å; E222-R226 PolarHBondContact OE1-NE 3.36Å; E222-R226 IonicContact OE1-NH2 3.05Å; E222-R226 PolarHBondContact OE1-NH2 3.31Å; L223-R226 PolarHBondContact O-N 3.21Å; R226-Y229 PolarHBondContact O-N 3.14Å; R226-Q230 WeakPolarHBondContact O-CG 3.13Å; R226-Q230 PolarHBondContact O-N 3.01Å
227	A	97.6	Very high	96.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-47.3	177	0	0	0	0	0	111.8	L72 V206 M207 L223 G224 Q230 A231	L72-A227 HydrophobicContact CD2-CB 3.81Å; V206-A227 HydrophobicContact CB-CB 4.08Å; V206-A227 HydrophobicContact CG1-CB 4.06Å; M207-A227 HydrophobicContact CG-CB 3.92Å; M207-A227 HydrophobicContact SD-CB 3.75Å; L223-A227 WeakPolarHBondContact O-CB 3.27Å; L223-A227 PolarHBondContact O-N 2.76Å; G224-A227 PolarHBondContact O-N 3.44Å; A227-Q230 PolarHBondContact O-N 2.87Å; A227-A231 PolarHBondContact O-N 3.48Å
228	I	97.8	Very high	96.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-42.8	175.2	-63.4	-60.1	0	0	0	111	T70 L72 A83 D85 G224 R225 Q230 A231 T232 V242	T70-I228 HydrophobicContact CG2-CD1 3.67Å; L72-I228 HydrophobicContact CB-CD1 3.91Å; A83-I228 HydrophobicContact CB-CD1 4.5Å; A83-I228 HydrophobicContact CB-CG1 3.71Å; D85-I228 HydrophobicContact CB-CG2 4.21Å; G224-I228 PolarHBondContact O-N 3.04Å; G224-I228 VanDerWaalsContact O-N 3.16Å; R225-I228 PolarHBondContact O-N 3.01Å; I228-Q230 PolarHBondContact O-N 3.16Å; I228-A231 WeakPolarHBondContact O-CB 3.34Å; I228-A231 PolarHBondContact O-N 2.62Å; I228-A231 VanDerWaalsContact O-N 3.16Å; I228-T232 HydrophobicContact CG2-CG2 4.03Å; I228-T232 VanDerWaalsContact O-CG2 3.3Å; I228-T232 WeakPolarHBondContact O-CG2 3.21Å; I228-T232 PolarHBondContact O-N 2.84Å; I228-T232 PolarHBondContact O-OG1 3.31Å; I228-V242 HydrophobicContact CB-CG1 3.97Å; I228-V242 HydrophobicContact CB-CG2 4.38Å; I228-V242 HydrophobicContact CG1-CG1 4.47Å; I228-V242 HydrophobicContact CG2-CB 4.39Å; I228-V242 HydrophobicContact CG2-CG1 3.95Å; I228-V242 HydrophobicContact CG2-CG2 3.79Å
229	Y	97.3	Very high	96.5	Very high	16 Å²	16	42.2 Å²	42.2	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-54.4	-49.6	176.6	166	-100	0	0	0	112.1	R225 R226 A231 T232 Y233 V260 L263 H264 Y267	R225-Y229 WeakPolarHBondContact O-CB 3.31Å; R225-Y229 PolarHBondContact O-N 2.74Å; R226-Y229 PolarHBondContact O-N 3.14Å; Y229-A231 VanDerWaalsContact C-N 3.33Å; Y229-A231 PolarHBondContact O-N 3.47Å; Y229-T232 WeakPolarHBondContact CA-OG1 3.26Å; Y229-T232 PolarHBondContact O-N 2.69Å; Y229-T232 PolarHBondContact O-OG1 3.45Å; Y229-Y233 PolarHBondContact O-N 3.28Å; Y229-V260 HydrophobicContact CD2-CG1 4.12Å; Y229-V260 HydrophobicContact CE2-CG1 4.4Å; Y229-L263 HydrophobicContact CD2-CB 3.92Å; Y229-L263 HydrophobicContact CE2-CB 4.42Å; Y229-H264 HydrophobicContact CE2-CB 3.94Å; Y229-H264 AromaticContact CZ-ND1 3.95Å; Y229-H264 PolarHBondContact OH-ND1 3.36Å; Y229-Y267 AromaticContact CD1-CD2 3.45Å; Y229-Y267 HydrophobicContact CD1-CD2 3.45Å; Y229-Y267 VanDerWaalsContact CD1-CD2 3.45Å; Y229-Y267 AromaticContact CD1-CE2 3.7Å; Y229-Y267 HydrophobicContact CD1-CE2 3.7Å; Y229-Y267 HydrophobicContact CD2-CD2 4.09Å; Y229-Y267 HydrophobicContact CD2-CE2 4.27Å; Y229-Y267 AromaticContact CE1-CD2 3.56Å; Y229-Y267 HydrophobicContact CE1-CD2 3.56Å; Y229-Y267 HydrophobicContact CE1-CE2 4.29Å; Y229-Y267 HydrophobicContact CE1-CG 4.35Å; Y229-Y267 HydrophobicContact CE2-CD2 4.19Å; Y229-Y267 AromaticContact CG-CD2 3.73Å; Y229-Y267 HydrophobicContact CG-CD2 3.73Å; Y229-Y267 AromaticContact CG-CE2 3.69Å; Y229-Y267 HydrophobicContact CG-CE2 3.69Å; Y229-Y267 AromaticContact CZ-CD2 3.94Å
230	Q	96.8	Very high	96.5	Very high	71 Å²	71	38.3 Å²	38.3	33%	0.332	18%	0.176	S	C	.	.	H	α-helix	trans	-64	-38.4	178.6	-67.1	-63.4	-12.9	0	0	112.2	V206 R226 A227 I228 Y233 R234	V206-Q230 HydrophobicContact CG2-CB 3.77Å; V206-Q230 HydrophobicContact CG2-CG 3.85Å; R226-Q230 WeakPolarHBondContact O-CG 3.13Å; R226-Q230 PolarHBondContact O-N 3.01Å; A227-Q230 PolarHBondContact O-N 2.87Å; I228-Q230 PolarHBondContact O-N 3.16Å; Q230-Y233 PolarHBondContact O-N 2.65Å; Q230-R234 PolarHBondContact O-N 2.85Å
231	A	97.3	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-45.3	173.7	0	0	0	0	0	111.7	T70 A203 A227 I228 Y229 Y233 R234 D235	T70-A231 HydrophobicContact CG2-CB 3.78Å; A203-A231 HydrophobicContact CB-CB 4.4Å; A227-A231 PolarHBondContact O-N 3.48Å; I228-A231 WeakPolarHBondContact O-CB 3.34Å; I228-A231 PolarHBondContact O-N 2.62Å; I228-A231 VanDerWaalsContact O-N 3.16Å; Y229-A231 VanDerWaalsContact C-N 3.33Å; Y229-A231 PolarHBondContact O-N 3.47Å; A231-Y233 PolarHBondContact O-N 3.2Å; A231-R234 PolarHBondContact O-N 3.42Å; A231-D235 WeakPolarHBondContact O-CB 3.13Å; A231-D235 PolarHBondContact O-N 3.06Å
232	T	96.6	Very high	96.5	Very high	17 Å²	17	40 Å²	40	10%	0.104	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-24	176.9	62.3	0	0	0	0	113.8	D85 I228 Y229 V260	D85-T232 HydrophobicContact CB-CG2 4.09Å; I228-T232 HydrophobicContact CG2-CG2 4.03Å; I228-T232 VanDerWaalsContact O-CG2 3.3Å; I228-T232 WeakPolarHBondContact O-CG2 3.21Å; I228-T232 PolarHBondContact O-N 2.84Å; I228-T232 PolarHBondContact O-OG1 3.31Å; Y229-T232 WeakPolarHBondContact CA-OG1 3.26Å; Y229-T232 PolarHBondContact O-N 2.69Å; Y229-T232 PolarHBondContact O-OG1 3.45Å; T232-V260 HydrophobicContact CG2-CG2 4.23Å
233	Y	96.1	Very high	96.5	Very high	139 Å²	139	38.2 Å²	38.2	55%	0.545	18%	0.175	S	C	.	.	H	α-helix	trans	-77.1	-30.3	175.9	-172.6	-99.9	0	0	0	112.3	Y229 Q230 A231	Y229-Y233 PolarHBondContact O-N 3.28Å; Q230-Y233 PolarHBondContact O-N 2.65Å; A231-Y233 PolarHBondContact O-N 3.2Å
234	R	96.2	Very high	96.6	Very high	166 Å²	166	37.5 Å²	37.5	63%	0.626	17%	0.172	S	C	*	.	H	α-helix	trans	-99.3	-37	-176.6	-65.5	-61.3	-173.9	176.7	0.2	114	Y202 Q230 A231	Y202-R234 HydrophobicContact CD1-CB 3.89Å; Y202-R234 HydrophobicContact CD1-CG 4.33Å; Y202-R234 HydrophobicContact CD2-CB 3.77Å; Y202-R234 HydrophobicContact CE1-CB 3.9Å; Y202-R234 HydrophobicContact CE2-CB 3.78Å; Y202-R234 HydrophobicContact CG-CB 3.83Å; Q230-R234 PolarHBondContact O-N 2.85Å; A231-R234 PolarHBondContact O-N 3.42Å
235	D	96.1	Very high	96.6	Very high	14 Å²	14	37.7 Å²	37.7	8%	0.075	17%	0.172	C	C	.	.			trans	-88.3	122.6	178.5	179.8	21.2	0	0	0	111.1	S198 G199 Y202 A231 Y237 S238	S198-D235 WeakPolarHBondContact CB-OD2 3.01Å; S198-D235 PolarHBondContact OG-OD2 3Å; G199-D235 PolarHBondContact N-OD2 3.3Å; G199-D235 VanDerWaalsContact N-OD2 3.16Å; Y202-D235 HydrophobicContact CD2-CB 3.97Å; Y202-D235 HydrophobicContact CE2-CB 3.89Å; A231-D235 WeakPolarHBondContact O-CB 3.13Å; A231-D235 PolarHBondContact O-N 3.06Å; D235-Y237 VanDerWaalsContact C-N 3.25Å; D235-Y237 PolarHBondContact O-N 2.72Å; D235-Y237 PolarHBondContact OD1-N 3.21Å; D235-S238 PolarHBondContact O-N 3.33Å; D235-S238 WeakPolarHBondContact OD2-CB 3.31Å; D235-S238 PolarHBondContact OD2-N 2.91Å; D235-S238 PolarHBondContact OD2-OG 3.01Å
236	A	94.4	Very high	96.7	Very high	77 Å²	77	36.7 Å²	36.7	64%	0.636	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.8	-179.2	0	0	0	0	0	113	R87	R87-A236 PolarHBondContact NH1-O 3.2Å; R87-A236 VanDerWaalsContact NH1-O 3.17Å
237	Y	94.3	Very high	96.7	Very high	93 Å²	93	32.3 Å²	32.3	37%	0.365	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.4	-174.8	-56.2	-73.9	0	0	0	113.7	R87 T89 D235	R87-Y237 WeakPolarHBondContact CD-O 3.47Å; T89-Y237 HydrophobicContact CG2-CD1 4.15Å; D235-Y237 VanDerWaalsContact C-N 3.25Å; D235-Y237 PolarHBondContact O-N 2.72Å; D235-Y237 PolarHBondContact OD1-N 3.21Å
238	S	95.5	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.			trans	-97.4	141.3	177.6	-64.2	0	0	0	0	111	T70 D85 R87 D235	T70-S238 PolarHBondContact N-OG 2.93Å; T70-S238 PolarHBondContact OG1-OG 2.9Å; D85-S238 VanDerWaalsContact OD2-CA 3.31Å; D85-S238 WeakPolarHBondContact OD2-CA 3.41Å; R87-S238 PolarHBondContact NH1-O 3.12Å; D235-S238 PolarHBondContact O-N 3.33Å; D235-S238 WeakPolarHBondContact OD2-CB 3.31Å; D235-S238 PolarHBondContact OD2-N 2.91Å; D235-S238 PolarHBondContact OD2-OG 3.01Å
239	G	95.5	Very high	96.5	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	19%	0.186	C	C	.	.			trans	165.3	-158.1	177.2	0	0	0	0	0	115.1	D85 S86 R87 Q241	D85-G239 PolarHBondContact OD2-N 3.41Å; D85-G239 VanDerWaalsContact OD2-N 3.09Å; S86-G239 PolarHBondContact N-O 2.88Å; S86-G239 VanDerWaalsContact N-O 3.09Å; R87-G239 WeakPolarHBondContact CB-O 3.42Å; R87-G239 PolarHBondContact N-O 3.4Å; G239-Q241 PolarHBondContact O-N 3.17Å
240	G	95.9	Very high	96.3	Very high	10 Å²	10	45.7 Å²	45.7	10%	0.103	22%	0.221	C	C	.	.	S	Bend	trans	83.8	-110.2	-176.8	0	0	0	0	0	110.8	V260	G240-V260 WeakPolarHBondContact O-CB 3.34Å; G240-V260 VanDerWaalsContact O-CG2 3.22Å; G240-V260 WeakPolarHBondContact O-CG2 3.34Å; G240-V260 PolarHBondContact O-N 3.23Å; G240-V260 VanDerWaalsContact O-N 3.12Å
241	Q	96.8	Very high	96.2	Very high	43 Å²	43	42.6 Å²	42.6	20%	0.201	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.3	-175.6	-58.5	177.6	-19.5	0	0	110.2	D85 S86 G239 Q257 T258	D85-Q241 CarbonylContact C-O 3.5Å; D85-Q241 WeakPolarHBondContact CA-O 3.4Å; S86-Q241 PolarHBondContact N-O 3.13Å; S86-Q241 WeakPolarHBondContact OG-CA 3.23Å; S86-Q241 WeakPolarHBondContact OG-CB 3.37Å; S86-Q241 PolarHBondContact OG-N 3.32Å; S86-Q241 PolarHBondContact OG-O 2.88Å; G239-Q241 PolarHBondContact O-N 3.17Å; Q241-Q257 HydrophobicContact CB-CG 4.47Å; Q241-T258 CarbonylContact C-O 3.46Å; Q241-T258 WeakPolarHBondContact CA-O 3.35Å
242	V	97.6	Very high	96.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	112.3	173.6	-174.5	0	0	0	0	108.4	I228 Q257 T258 V260 L263	I228-V242 HydrophobicContact CB-CG1 3.97Å; I228-V242 HydrophobicContact CB-CG2 4.38Å; I228-V242 HydrophobicContact CG1-CG1 4.47Å; I228-V242 HydrophobicContact CG2-CB 4.39Å; I228-V242 HydrophobicContact CG2-CG1 3.95Å; I228-V242 HydrophobicContact CG2-CG2 3.79Å; V242-Q257 WeakPolarHBondContact O-CA 3.32Å; V242-T258 PolarHBondContact N-O 3.43Å; V242-T258 PolarHBondContact O-N 2.83Å; V242-V260 HydrophobicContact CG2-CG2 3.85Å; V242-L263 HydrophobicContact CB-CD1 4.1Å; V242-L263 HydrophobicContact CG2-CD1 3.58Å
243	N	97.6	Very high	96.3	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.8	174.7	-65.6	-68.1	0	0	0	109.5	A83 V84 Y245 Q257	A83-N243 WeakPolarHBondContact CA-O 3.23Å; V84-N243 HydrophobicContact CG2-CB 3.88Å; V84-N243 PolarHBondContact N-O 3.34Å; V84-N243 PolarHBondContact O-N 3.49Å; N243-Y245 HydrophobicContact CB-CE2 4.11Å; N243-Q257 WeakPolarHBondContact OD1-CG 3.26Å
244	L	97.6	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.4	-177.7	-158.2	137.2	0	0	0	111.2	I81 V82 A83 C221 R225 V255 S256	I81-L244 HydrophobicContact CG2-CD1 4.26Å; I81-L244 HydrophobicContact CG2-CD2 4.1Å; I81-L244 HydrophobicContact CG2-CG 4.11Å; V82-L244 WeakPolarHBondContact O-CA 3.06Å; A83-L244 HydrophobicContact CB-CD1 4.21Å; A83-L244 HydrophobicContact CB-CG 4.5Å; C221-L244 HydrophobicContact CB-CD1 4.41Å; C221-L244 HydrophobicContact CB-CD2 3.83Å; C221-L244 WeakPolarHBondContact O-CD1 3.3Å; C221-L244 WeakPolarHBondContact SG-CD2 3.47Å; R225-L244 HydrophobicContact CB-CD1 4.23Å; L244-V255 HydrophobicContact CB-CB 4.47Å; L244-V255 HydrophobicContact CD2-CB 3.66Å; L244-V255 HydrophobicContact CD2-CG1 3.98Å; L244-V255 HydrophobicContact CD2-CG2 3.76Å; L244-V255 PolarHBondContact O-N 2.78Å; L244-S256 PolarHBondContact N-O 3.35Å; L244-S256 PolarHBondContact O-N 3.34Å
245	Y	98.3	Very high	96.3	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.9	179.3	-68	-106.9	0	0	0	109.5	I81 V82 V102 L110 N243 W252 T253 R254	I81-Y245 WeakPolarHBondContact CA-O 3.5Å; V82-Y245 PolarHBondContact N-O 3.21Å; V82-Y245 PolarHBondContact O-N 3.14Å; V102-Y245 HydrophobicContact CB-CD2 4.02Å; V102-Y245 HydrophobicContact CB-CE2 3.7Å; V102-Y245 HydrophobicContact CG1-CD1 4.41Å; V102-Y245 HydrophobicContact CG1-CD2 4.06Å; V102-Y245 HydrophobicContact CG1-CE1 4.42Å; V102-Y245 HydrophobicContact CG1-CE2 4.06Å; V102-Y245 HydrophobicContact CG1-CG 4.25Å; V102-Y245 HydrophobicContact CG2-CD2 3.68Å; V102-Y245 HydrophobicContact CG2-CE2 3.68Å; L110-Y245 HydrophobicContact CD1-CD1 4.07Å; L110-Y245 HydrophobicContact CD1-CG 4.12Å; N243-Y245 HydrophobicContact CB-CE2 4.11Å; Y245-W252 AromaticContact CD1-CE3 3.81Å; Y245-W252 HydrophobicContact CD1-CE3 3.81Å; Y245-W252 HydrophobicContact CD1-CZ3 4.06Å; Y245-W252 HydrophobicContact CE1-CE3 4.11Å; Y245-W252 AromaticContact CE1-CZ3 3.86Å; Y245-W252 HydrophobicContact CE1-CZ3 3.86Å; Y245-T253 WeakPolarHBondContact CA-O 3.45Å; Y245-R254 HydrophobicContact CD1-CB 4.02Å; Y245-R254 HydrophobicContact CD1-CG 4.28Å; Y245-R254 HydrophobicContact CE1-CB 3.75Å; Y245-R254 HydrophobicContact CE1-CG 3.83Å; Y245-R254 HydrophobicContact CE2-CG 4.27Å
246	H	98.2	Very high	96.2	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.093	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.4	174.1	175.3	-144.5	0	0	0	109.5	F76 H78 I81 W252 T253 V255	F76-H246 AromaticContact CZ-NE2 3.78Å; H78-H246 PolarHBondContact O-NE2 3.2Å; I81-H246 HydrophobicContact CD1-CB 3.91Å; H246-W252 CarbonylContact O-C 3.54Å; H246-W252 VanDerWaalsContact O-CA 3.28Å; H246-W252 WeakPolarHBondContact O-CA 3.19Å; H246-T253 PolarHBondContact N-O 2.99Å; H246-T253 PolarHBondContact O-N 3.13Å; H246-V255 HydrophobicContact CB-CG2 3.64Å
247	V	97.8	Very high	96.3	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122	173.2	-174.4	0	0	0	0	108.6	G79 V80 L110 C170 W172 W252	G79-V247 VanDerWaalsContact CA-O 3.31Å; G79-V247 WeakPolarHBondContact CA-O 3.43Å; V80-V247 HydrophobicContact CB-CB 4.06Å; V80-V247 HydrophobicContact CB-CG2 4.38Å; V80-V247 PolarHBondContact N-O 2.76Å; V80-V247 PolarHBondContact O-N 3.33Å; L110-V247 HydrophobicContact CD1-CG2 3.7Å; L110-V247 HydrophobicContact CG-CG2 4.33Å; C170-V247 HydrophobicContact CB-CG2 4.45Å; W172-V247 HydrophobicContact CB-CG1 4.42Å; V247-W252 HydrophobicContact CG2-CB 4.15Å
248	H	95.9	Very high	96.4	Very high	43 Å²	43	40.1 Å²	40.1	20%	0.199	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	179.6	179.7	56.4	87.8	0	0	0	110.9	W172 K250 G251 T253	W172-H248 WeakPolarHBondContact CB-O 3.49Å; H248-K250 PolarHBondContact ND1-N 3.22Å; H248-K250 PolarHBondContact O-N 3.19Å; H248-G251 CarbonylContact C-O 3.48Å; H248-G251 PolarHBondContact N-O 3.04Å; H248-G251 PolarHBondContact O-N 3.42Å; H248-G251 VanDerWaalsContact O-N 3.1Å; H248-T253 WeakPolarHBondContact NE2-CG2 3.41Å
249	S	94.4	Very high	96.5	Very high	70 Å²	70	43.4 Å²	43.4	49%	0.49	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23	-173.1	60.3	0	0	0	0	116
250	K	93.5	Very high	96.5	Very high	185 Å²	185	44.6 Å²	44.6	80%	0.804	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-12	-179.3	-59.8	-179.6	179.7	177.6	0	113.4	H248	H248-K250 PolarHBondContact ND1-N 3.22Å; H248-K250 PolarHBondContact O-N 3.19Å
251	G	95	Very high	96.5	Very high	6 Å²	6	49.3 Å²	49.3	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.3	-148.1	-172.3	0	0	0	0	0	111.1	P107 H248	P107-G251 VanDerWaalsContact O-CA 3.24Å; P107-G251 WeakPolarHBondContact O-CA 3.28Å; H248-G251 CarbonylContact C-O 3.48Å; H248-G251 PolarHBondContact N-O 3.04Å; H248-G251 PolarHBondContact O-N 3.42Å; H248-G251 VanDerWaalsContact O-N 3.1Å
252	W	97.5	Very high	96.4	Very high	54 Å²	54	50 Å²	50	21%	0.205	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.3	173.3	58.1	-99.2	0	0	0	111.2	E104 N106 P107 L110 Y245 H246 V247	E104-W252 HydrophobicContact CB-CH2 4.31Å; E104-W252 HydrophobicContact CB-CZ2 3.83Å; E104-W252 HydrophobicContact CG-CH2 3.61Å; E104-W252 HydrophobicContact CG-CZ2 3.59Å; E104-W252 HydrophobicContact CG-CZ3 4.39Å; E104-W252 WeakPolarHBondContact OE1-CH2 3.44Å; E104-W252 WeakPolarHBondContact OE2-CH2 3.42Å; N106-W252 PolarHBondContact O-NE1 3.03Å; P107-W252 VanDerWaalsContact C-CD1 3.48Å; P107-W252 VanDerWaalsContact O-CD1 3.31Å; P107-W252 PolarHBondContact O-N 2.84Å; L110-W252 HydrophobicContact CD1-CB 3.91Å; L110-W252 HydrophobicContact CD1-CD2 4.45Å; L110-W252 HydrophobicContact CD1-CG 4.02Å; L110-W252 HydrophobicContact CD2-CD2 3.74Å; L110-W252 HydrophobicContact CD2-CE3 4.38Å; L110-W252 HydrophobicContact CD2-CG 3.77Å; L110-W252 HydrophobicContact CD2-CZ2 4.39Å; L110-W252 HydrophobicContact CG-CB 4.18Å; L110-W252 HydrophobicContact CG-CD2 4.34Å; L110-W252 HydrophobicContact CG-CG 3.86Å; Y245-W252 AromaticContact CD1-CE3 3.81Å; Y245-W252 HydrophobicContact CD1-CE3 3.81Å; Y245-W252 HydrophobicContact CD1-CZ3 4.06Å; Y245-W252 HydrophobicContact CE1-CE3 4.11Å; Y245-W252 AromaticContact CE1-CZ3 3.86Å; Y245-W252 HydrophobicContact CE1-CZ3 3.86Å; H246-W252 CarbonylContact O-C 3.54Å; H246-W252 VanDerWaalsContact O-CA 3.28Å; H246-W252 WeakPolarHBondContact O-CA 3.19Å; V247-W252 HydrophobicContact CG2-CB 4.15Å
253	T	97.4	Very high	96.4	Very high	66 Å²	66	50 Å²	50	41%	0.405	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.6	173.2	49.7	0	0	0	0	109.8	Y245 H246 H248 V255	Y245-T253 WeakPolarHBondContact CA-O 3.45Å; H246-T253 PolarHBondContact N-O 2.99Å; H246-T253 PolarHBondContact O-N 3.13Å; H248-T253 WeakPolarHBondContact NE2-CG2 3.41Å; T253-V255 PolarHBondContact O-N 3.46Å
254	R	96.8	Very high	96.3	Very high	129 Å²	129	53 Å²	53	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.9	171.1	-172.8	175.9	70.1	153.7	3	108.1	Y245	Y245-R254 HydrophobicContact CD1-CB 4.02Å; Y245-R254 HydrophobicContact CD1-CG 4.28Å; Y245-R254 HydrophobicContact CE1-CB 3.75Å; Y245-R254 HydrophobicContact CE1-CG 3.83Å; Y245-R254 HydrophobicContact CE2-CG 4.27Å
255	V	96.4	Very high	96.2	Very high	67 Å²	67	58.1 Å²	58.1	41%	0.406	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-54.8	-174	179.1	0	0	0	0	110.5	L244 H246 T253	L244-V255 HydrophobicContact CB-CB 4.47Å; L244-V255 HydrophobicContact CD2-CB 3.66Å; L244-V255 HydrophobicContact CD2-CG1 3.98Å; L244-V255 HydrophobicContact CD2-CG2 3.76Å; L244-V255 PolarHBondContact O-N 2.78Å; H246-V255 HydrophobicContact CB-CG2 3.64Å; T253-V255 PolarHBondContact O-N 3.46Å
256	S	94.8	Very high	96	Very high	24 Å²	24	62 Å²	62	17%	0.168	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.5	-176.2	60.4	0	0	0	0	112.3	R225 L244	R225-S256 PolarHBondContact NH2-OG 3.43Å; L244-S256 PolarHBondContact N-O 3.35Å; L244-S256 PolarHBondContact O-N 3.34Å
257	Q	95.8	Very high	95.8	Very high	82 Å²	82	62.2 Å²	62.2	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	102.7	169.2	174.9	171.3	7.9	0	0	106.5	Q241 V242 N243	Q241-Q257 HydrophobicContact CB-CG 4.47Å; V242-Q257 WeakPolarHBondContact O-CA 3.32Å; N243-Q257 WeakPolarHBondContact OD1-CG 3.26Å
258	T	96.3	Very high	95.6	Very high	32 Å²	32	69.4 Å²	69.4	20%	0.196	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135	-170.3	-49.1	0	0	0	0	110.4	Q241 V242 L263	Q241-T258 CarbonylContact C-O 3.46Å; Q241-T258 WeakPolarHBondContact CA-O 3.35Å; V242-T258 PolarHBondContact N-O 3.43Å; V242-T258 PolarHBondContact O-N 2.83Å; T258-L263 HydrophobicContact CG2-CD2 3.61Å; T258-L263 HydrophobicContact CG2-CG 3.86Å
259	D	97.1	Very high	95.3	Very high	68 Å²	68	75.2 Å²	75.2	36%	0.364	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.3	175.9	-162.3	-59.2	0	0	0	111	L261 T262 L263	D259-L261 PolarHBondContact O-N 3.07Å; D259-L261 WeakPolarHBondContact OD1-CB 3.34Å; D259-L261 PolarHBondContact OD1-N 3.34Å; D259-T262 WeakPolarHBondContact O-CB 3.4Å; D259-T262 PolarHBondContact O-N 3.36Å; D259-T262 VanDerWaalsContact O-N 3.12Å; D259-L263 PolarHBondContact O-N 3.08Å; D259-L263 VanDerWaalsContact O-N 3.11Å
260	V	96.1	Very high	94.7	Very high	28 Å²	28	78.4 Å²	78.4	17%	0.17	38%	0.379	C	S	.	.	H	α-helix	trans	-58.8	-32.4	178	171.1	0	0	0	0	111.5	Y229 T232 G240 V242 L263 H264	Y229-V260 HydrophobicContact CD2-CG1 4.12Å; Y229-V260 HydrophobicContact CE2-CG1 4.4Å; T232-V260 HydrophobicContact CG2-CG2 4.23Å; G240-V260 WeakPolarHBondContact O-CB 3.34Å; G240-V260 VanDerWaalsContact O-CG2 3.22Å; G240-V260 WeakPolarHBondContact O-CG2 3.34Å; G240-V260 PolarHBondContact O-N 3.23Å; G240-V260 VanDerWaalsContact O-N 3.12Å; V242-V260 HydrophobicContact CG2-CG2 3.85Å; V260-L263 PolarHBondContact O-N 3.49Å; V260-H264 PolarHBondContact O-N 3.24Å
261	L	95.4	Very high	93.5	Very high	108 Å²	108	76.3 Å²	76.3	57%	0.565	40%	0.396	S	S	*	.	H	α-helix	trans	-65.1	-41.5	176.6	179.9	61.4	0	0	0	111.9	D259 L263 H264 Q265	D259-L261 PolarHBondContact O-N 3.07Å; D259-L261 WeakPolarHBondContact OD1-CB 3.34Å; D259-L261 PolarHBondContact OD1-N 3.34Å; L261-L263 VanDerWaalsContact C-N 3.33Å; L261-H264 WeakPolarHBondContact O-CB 3.24Å; L261-H264 PolarHBondContact O-N 2.72Å; L261-Q265 PolarHBondContact O-N 2.73Å; L261-Q265 VanDerWaalsContact O-N 3.15Å
262	T	95.9	Very high	93.4	Very high	59 Å²	59	79.8 Å²	79.8	36%	0.362	41%	0.412	S	S	.	.	H	α-helix	trans	-64.8	-40.8	175.6	-53.3	0	0	0	0	110.6	D259 H264 Q265 Q266	D259-T262 WeakPolarHBondContact O-CB 3.4Å; D259-T262 PolarHBondContact O-N 3.36Å; D259-T262 VanDerWaalsContact O-N 3.12Å; T262-H264 VanDerWaalsContact C-N 3.32Å; T262-H264 PolarHBondContact O-N 2.89Å; T262-Q265 PolarHBondContact O-N 2.84Å; T262-Q266 WeakPolarHBondContact O-CG 3.15Å; T262-Q266 PolarHBondContact O-N 3.04Å; T262-Q266 VanDerWaalsContact O-N 3.08Å
263	L	95.6	Very high	93.2	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-62.7	-38.8	174.2	-63.1	-179.4	0	0	0	112.1	R225 Y229 V242 T258 D259 V260 L261 Q265 Q266 Y267	R225-L263 HydrophobicContact CG-CD1 3.86Å; R225-L263 HydrophobicContact CG-CD2 4.03Å; Y229-L263 HydrophobicContact CD2-CB 3.92Å; Y229-L263 HydrophobicContact CE2-CB 4.42Å; V242-L263 HydrophobicContact CB-CD1 4.1Å; V242-L263 HydrophobicContact CG2-CD1 3.58Å; T258-L263 HydrophobicContact CG2-CD2 3.61Å; T258-L263 HydrophobicContact CG2-CG 3.86Å; D259-L263 PolarHBondContact O-N 3.08Å; D259-L263 VanDerWaalsContact O-N 3.11Å; V260-L263 PolarHBondContact O-N 3.49Å; L261-L263 VanDerWaalsContact C-N 3.33Å; L263-Q265 VanDerWaalsContact C-N 3.34Å; L263-Q265 PolarHBondContact O-N 2.98Å; L263-Q266 PolarHBondContact O-N 3.19Å; L263-Y267 HydrophobicContact CB-CD2 4.21Å; L263-Y267 HydrophobicContact CB-CE2 4Å; L263-Y267 WeakPolarHBondContact O-CB 3.3Å; L263-Y267 WeakPolarHBondContact O-CD2 3.37Å; L263-Y267 PolarHBondContact O-N 2.68Å
264	H	95.9	Very high	92.9	Very high	68 Å²	68	82 Å²	82	32%	0.315	42%	0.424	S	S	.	.	H	α-helix	trans	-59.7	-44.7	176.8	-176.1	68	0	0	0	111.9	Y229 V260 L261 T262 K268	Y229-H264 HydrophobicContact CE2-CB 3.94Å; Y229-H264 AromaticContact CZ-ND1 3.95Å; Y229-H264 PolarHBondContact OH-ND1 3.36Å; V260-H264 PolarHBondContact O-N 3.24Å; L261-H264 WeakPolarHBondContact O-CB 3.24Å; L261-H264 PolarHBondContact O-N 2.72Å; T262-H264 VanDerWaalsContact C-N 3.32Å; T262-H264 PolarHBondContact O-N 2.89Å; H264-K268 VanDerWaalsContact O-CB 3.22Å; H264-K268 WeakPolarHBondContact O-CB 3.17Å; H264-K268 PolarHBondContact O-N 2.9Å
265	Q	95.8	Very high	92.7	Very high	106 Å²	106	79.2 Å²	79.2	50%	0.495	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-48	176.5	-69	171.5	-14.8	0	0	111.1	L261 T262 L263 Y267 K268 E269	L261-Q265 PolarHBondContact O-N 2.73Å; L261-Q265 VanDerWaalsContact O-N 3.15Å; T262-Q265 PolarHBondContact O-N 2.84Å; L263-Q265 VanDerWaalsContact C-N 3.34Å; L263-Q265 PolarHBondContact O-N 2.98Å; Q265-Y267 PolarHBondContact O-N 2.96Å; Q265-K268 PolarHBondContact O-N 2.83Å; Q265-E269 WeakPolarHBondContact O-CG 3.29Å; Q265-E269 PolarHBondContact O-N 3.02Å; Q265-E269 VanDerWaalsContact O-N 3.13Å
266	Q	94.7	Very high	92.5	Very high	85 Å²	85	80 Å²	80	40%	0.397	42%	0.422	S	S	.	.	H	α-helix	trans	-59.2	-46.2	178.6	-71.1	174.1	-9.2	0	0	112.7	T262 L263 K268 E269 Q270	T262-Q266 WeakPolarHBondContact O-CG 3.15Å; T262-Q266 PolarHBondContact O-N 3.04Å; T262-Q266 VanDerWaalsContact O-N 3.08Å; L263-Q266 PolarHBondContact O-N 3.19Å; Q266-K268 VanDerWaalsContact C-N 3.34Å; Q266-E269 PolarHBondContact O-N 2.74Å; Q266-Q270 WeakPolarHBondContact O-CG 3.34Å; Q266-Q270 PolarHBondContact O-N 3.44Å
267	Y	94.4	Very high	92.3	Very high	25 Å²	25	83.7 Å²	83.7	10%	0.098	44%	0.439	C	S	.	.	H	α-helix	trans	-74.8	-24.3	-179.2	-66.4	-42.8	0	0	0	113.4	E222 Y229 L263 Q265 A271	E222-Y267 WeakPolarHBondContact OE1-CE1 3.11Å; E222-Y267 PolarHBondContact OE1-OH 3.05Å; Y229-Y267 AromaticContact CD1-CD2 3.45Å; Y229-Y267 HydrophobicContact CD1-CD2 3.45Å; Y229-Y267 VanDerWaalsContact CD1-CD2 3.45Å; Y229-Y267 AromaticContact CD1-CE2 3.7Å; Y229-Y267 HydrophobicContact CD1-CE2 3.7Å; Y229-Y267 HydrophobicContact CD2-CD2 4.09Å; Y229-Y267 HydrophobicContact CD2-CE2 4.27Å; Y229-Y267 AromaticContact CE1-CD2 3.56Å; Y229-Y267 HydrophobicContact CE1-CD2 3.56Å; Y229-Y267 HydrophobicContact CE1-CE2 4.29Å; Y229-Y267 HydrophobicContact CE1-CG 4.35Å; Y229-Y267 HydrophobicContact CE2-CD2 4.19Å; Y229-Y267 AromaticContact CG-CD2 3.73Å; Y229-Y267 HydrophobicContact CG-CD2 3.73Å; Y229-Y267 AromaticContact CG-CE2 3.69Å; Y229-Y267 HydrophobicContact CG-CE2 3.69Å; Y229-Y267 AromaticContact CZ-CD2 3.94Å; L263-Y267 HydrophobicContact CB-CD2 4.21Å; L263-Y267 HydrophobicContact CB-CE2 4Å; L263-Y267 WeakPolarHBondContact O-CB 3.3Å; L263-Y267 WeakPolarHBondContact O-CD2 3.37Å; L263-Y267 PolarHBondContact O-N 2.68Å; Q265-Y267 PolarHBondContact O-N 2.96Å; Y267-A271 PolarHBondContact O-N 2.82Å
268	K	93.1	Very high	92.1	Very high	152 Å²	152	83.9 Å²	83.9	66%	0.661	44%	0.443	S	S	*	.	H	α-helix	trans	-71.6	-34	172.9	-173	179.5	179	-176.4	0	112.1	H264 Q265 Q266 Q270	H264-K268 VanDerWaalsContact O-CB 3.22Å; H264-K268 WeakPolarHBondContact O-CB 3.17Å; H264-K268 PolarHBondContact O-N 2.9Å; Q265-K268 PolarHBondContact O-N 2.83Å; Q266-K268 VanDerWaalsContact C-N 3.34Å; K268-Q270 VanDerWaalsContact C-N 3.3Å
269	E	89.3	Confident	91.7	Very high	165 Å²	165	87.8 Å²	87.8	77%	0.771	46%	0.462	S	S	*	.	H	α-helix	trans	-73.2	-23.3	176.3	-70.7	171.3	-174.4	0	0	113.1	Q265 Q266	Q265-E269 WeakPolarHBondContact O-CG 3.29Å; Q265-E269 PolarHBondContact O-N 3.02Å; Q265-E269 VanDerWaalsContact O-N 3.13Å; Q266-E269 PolarHBondContact O-N 2.74Å
270	Q	81.5	Confident	91.3	Very high	138 Å²	138	89.5 Å²	89.5	65%	0.645	47%	0.47	S	S	*	.			trans	-88.6	-12.1	179.9	-69.1	172.5	13.5	0	0	114	Q266 K268	Q266-Q270 WeakPolarHBondContact O-CG 3.34Å; Q266-Q270 PolarHBondContact O-N 3.44Å; K268-Q270 VanDerWaalsContact C-N 3.3Å
271	A	67.8	Low	90.9	Very high	140 Å²	140	95.1 Å²	95.1	100%	1.157	50%	0.497	S	S	*	.			trans	-96.7	0	-177	0	0	0	0	0	111.5	Y267	Y267-A271 PolarHBondContact O-N 2.82Å

Retrieved 271 of 271 residues in 537.9 ms (Link to these results)

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