A0A077YZT8_TRITR Loading...

DNA repair protein RAD51 homolog

Binds to single and double-stranded DNA and exhibits DNA-dependent ATPase activity. Underwinds duplex DNA. Plays an important role in homologous strand exchange, a key step in DNA repair through homologous recombination (HR). Binds to single-stranded DNA in an ATP-dependent manner to form nucleoprotein filaments which are essential for the homology search and strand exchange. Catalyzes the recognition of homology and strand exchange between homologous DNA partners to form a joint molecule between a processed DNA break and the repair template. Recruited to resolve stalled replication forks during replication stress. Also involved in interstrand cross-link repair.

AlphaFold DB , UniProt , Accession A0A077YZT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	42.8	Very low	234 Å²	234	164.5 Å²	164.5	100%	1.153	79%	0.785	S	S	*	*				0	144.6	0	-70.4	-173.5	-81.7	0	0	108.1
2	S	39.3	Very low	42.3	Very low	116 Å²	116	159.2 Å²	159.2	81%	0.811	79%	0.789	S	S	*	*			trans	56.3	96.8	165.2	-45	0	0	0	0	116.7
3	A	43	Very low	42.2	Very low	88 Å²	88	154.6 Å²	154.6	73%	0.727	79%	0.792	S	S	*	*				84	135.5	85.6	0	0	0	0	0	113.1
4	Q	43.8	Very low	41.8	Very low	158 Å²	158	159.4 Å²	159.4	74%	0.738	80%	0.804	S	S	*	*			cis	-167.2	144.2	1.8	-113.9	171.6	6.3	0	0	111
5	K	49.6	Very low	41.7	Very low	151 Å²	151	153.5 Å²	153.5	66%	0.657	80%	0.799	S	S	*	*			trans	62.1	159.9	140.3	-68.5	165.5	160.6	-123.5	0	120
6	E	44.1	Very low	41.5	Very low	135 Å²	135	155.9 Å²	155.9	63%	0.631	80%	0.801	S	S	*	*			cis	-147.8	128.3	2.5	-135.7	127.4	-162.2	0	0	108.5
7	H	44.8	Very low	41.5	Very low	173 Å²	173	153.8 Å²	153.8	80%	0.801	79%	0.787	S	S	*	*				51.9	125	106.9	-89.3	15.1	0	0	0	116
8	Q	43.5	Very low	41.4	Very low	147 Å²	147	154 Å²	154	69%	0.687	78%	0.782	S	S	*	*				-164.8	165.5	62.6	-74	-177	20.9	0	0	109.1
9	R	42.1	Very low	41.3	Very low	221 Å²	221	153.3 Å²	153.3	83%	0.834	78%	0.775	S	S	*	*			cis	-158.2	156	10	-127	161.6	-170.3	-176.3	5.6	109.9
10	Q	39.9	Very low	41.3	Very low	154 Å²	154	153.8 Å²	153.8	72%	0.72	77%	0.774	S	S	*	*			trans	-87	165.9	176.5	-48.9	166.5	-7	0	0	110.6
11	R	37.6	Very low	41.1	Very low	232 Å²	232	152.3 Å²	152.3	88%	0.875	78%	0.775	S	S	*	*				175.5	167.2	65.9	-123.6	151	-170.4	-132.7	-4.2	110.6
12	A	35.8	Very low	41	Very low	101 Å²	101	146.2 Å²	146.2	84%	0.835	76%	0.763	S	S	*	*			trans	-112.8	159.7	-170.9	0	0	0	0	0	115.4
13	A	41	Very low	41.1	Very low	100 Å²	100	145.6 Å²	145.6	83%	0.826	77%	0.765	S	S	*	*			trans	-162.3	106.6	158	0	0	0	0	0	115.7
14	K	37.8	Very low	40.6	Very low	221 Å²	221	150 Å²	150	96%	0.961	77%	0.77	S	S	*	*			trans	19.5	135.2	144.3	-62.9	177	175.2	178.5	0	124.1
15	G	38.9	Very low	40.2	Very low	71 Å²	71	149.9 Å²	149.9	73%	0.732	77%	0.774	S	S	*	*			trans	156.4	105.3	150.1	0	0	0	0	0	111
16	K	39.7	Very low	39.7	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	78%	0.777	S	S	*	*				45.5	127.4	82.7	-75.5	-164.7	165.8	-153.1	0	113.2
17	E	40.4	Very low	39.4	Very low	120 Å²	120	149.6 Å²	149.6	56%	0.561	79%	0.788	S	S	*	*			cis	-162.8	153.3	22.8	-122.8	172	-132.1	0	0	111.7
18	K	39.7	Very low	39.1	Very low	158 Å²	158	146.2 Å²	146.2	69%	0.687	79%	0.789	S	S	*	*			trans	60.5	149.8	154.3	-63	166.8	175	146.4	0	118.5
19	E	39.5	Very low	38.8	Very low	140 Å²	140	142.3 Å²	142.3	65%	0.654	79%	0.789	S	S	*	*			cis	-163.7	172.3	-6.5	-106.3	167.9	60.5	0	0	105.8
20	Q	42.5	Very low	38.5	Very low	163 Å²	163	137.4 Å²	137.4	76%	0.762	79%	0.785	S	S	*	*			cis	-151.2	171.1	7.8	-124.5	171.3	62.1	0	0	107.9
21	P	35.6	Very low	38.3	Very low	123 Å²	123	138.1 Å²	138.1	80%	0.799	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-98.7	151	-168.5	37.4	-32.9	0	0	0	115.7
22	A	42.5	Very low	37.9	Very low	107 Å²	107	132.4 Å²	132.4	88%	0.884	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-103.9	128.2	163.2	0	0	0	0	0	109.5
23	A	41.7	Very low	37.8	Very low	103 Å²	103	134 Å²	134	85%	0.851	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-95	138.9	-169.2	0	0	0	0	0	113.5
24	E	33	Very low	37	Very low	179 Å²	179	138.1 Å²	138.1	84%	0.836	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-75	133.4	160.6	-64.4	174.2	120.2	0	0	110.5
25	N	34.2	Very low	36.5	Very low	156 Å²	156	135 Å²	135	83%	0.834	78%	0.775	S	S	*	*				176.8	172.1	125.2	-103.1	-57.7	0	0	0	112.5
26	V	38.8	Very low	36.1	Very low	119 Å²	119	138.6 Å²	138.6	72%	0.721	78%	0.778	S	S	*	*			trans	96.8	81.1	155.6	-164.5	0	0	0	0	117.7
27	L	37.4	Very low	35.5	Very low	162 Å²	162	134.8 Å²	134.8	85%	0.848	78%	0.781	S	S	*	*				101.5	131.8	123.6	-71.1	174.8	0	0	0	123.6
28	A	40.1	Very low	35	Very low	101 Å²	101	137.5 Å²	137.5	84%	0.835	79%	0.794	S	S	*	*			trans	68.1	120.2	145.5	0	0	0	0	0	119
29	G	36.7	Very low	34.8	Very low	65 Å²	65	137.7 Å²	137.7	67%	0.67	80%	0.798	S	S	*	*			cis	-170.3	171.6	-2.6	0	0	0	0	0	111.6	N31	G29-N31 PolarHBondContact O-N 2.59Å
30	P	34.8	Very low	35	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	80%	0.798	S	S	*	*			trans	-78.7	116.8	-177.9	31.2	-31.8	0	0	0	110.5	V32	P30-V32 PolarHBondContact O-N 2.88Å; P30-V32 VanDerWaalsContact O-N 3.15Å
31	N	35.8	Very low	35.8	Very low	170 Å²	170	136.6 Å²	136.6	91%	0.909	80%	0.8	S	S	*	*			trans	-73.4	106.6	163.5	-95.8	-12.5	0	0	0	108.7	G29 V33	G29-N31 PolarHBondContact O-N 2.59Å; N31-V33 PolarHBondContact O-N 2.69Å
32	V	30	Very low	37.7	Very low	112 Å²	112	132.6 Å²	132.6	68%	0.679	78%	0.782	S	S	*	*			trans	-63.5	122.7	178.7	176.4	0	0	0	0	110.2	P30	P30-V32 PolarHBondContact O-N 2.88Å; P30-V32 VanDerWaalsContact O-N 3.15Å
33	V	32.7	Very low	39.9	Very low	135 Å²	135	129.1 Å²	129.1	82%	0.818	75%	0.75	S	S	*	*			trans	-132.5	74.1	152	-170.8	0	0	0	0	107.1	N31	N31-V33 PolarHBondContact O-N 2.69Å
34	Q	25.9	Very low	42.3	Very low	185 Å²	185	127.4 Å²	127.4	86%	0.864	72%	0.723	S	S	*	*			trans	-125.8	74.2	167.7	-81.6	-173.7	-35.8	0	0	107.8
35	Q	26.9	Very low	45.2	Very low	157 Å²	157	122.2 Å²	122.2	73%	0.734	71%	0.705	S	S	*	*			trans	-157.8	123.2	174.8	-89.7	170.8	-17.6	0	0	104
36	D	29.7	Very low	48.1	Very low	146 Å²	146	115.1 Å²	115.1	78%	0.781	67%	0.668	S	S	*	*			cis	-131.3	134.9	3.3	-63.5	-53.6	0	0	0	109.9
37	A	27.7	Very low	50.8	Low	111 Å²	111	112.3 Å²	112.3	92%	0.917	65%	0.653	S	S	*	*			trans	-117.7	45.9	179.2	0	0	0	0	0	111.3
38	E	29.7	Very low	53.5	Low	178 Å²	178	107.1 Å²	107.1	83%	0.832	62%	0.624	S	S	*	*			trans	-106.3	106.1	150.8	-70	-175.9	171.2	0	0	105.7	S40	E38-S40 PolarHBondContact O-N 3.34Å
39	E	36.4	Very low	56.2	Low	161 Å²	161	102.3 Å²	102.3	75%	0.752	59%	0.585	S	S	*	*			trans	-63.3	102.8	168.3	-76.9	-170.9	136.6	0	0	107.2	F41	E39-F41 HydrophobicContact CB-CD2 4.39Å; E39-F41 HydrophobicContact CB-CE2 3.87Å; E39-F41 HydrophobicContact CB-CZ 4.26Å; E39-F41 WeakPolarHBondContact O-CD2 3.23Å; E39-F41 WeakPolarHBondContact O-CE2 3.13Å; E39-F41 PolarHBondContact O-N 3.31Å
40	S	43.5	Very low	59	Low	95 Å²	95	103.1 Å²	103.1	66%	0.664	57%	0.571	S	S	*	*			trans	-66.2	95.7	177.5	-174.7	0	0	0	0	108.9	E38 G42	E38-S40 PolarHBondContact O-N 3.34Å; S40-G42 VanDerWaalsContact C-N 3.26Å; S40-G42 PolarHBondContact O-N 3.09Å
41	F	59.3	Low	61.8	Low	185 Å²	185	104.5 Å²	104.5	81%	0.811	57%	0.567	S	S	*	*			trans	-71.9	82.4	174.4	-72.8	-83.9	0	0	0	109.8	E39	E39-F41 HydrophobicContact CB-CD2 4.39Å; E39-F41 HydrophobicContact CB-CE2 3.87Å; E39-F41 HydrophobicContact CB-CZ 4.26Å; E39-F41 WeakPolarHBondContact O-CD2 3.23Å; E39-F41 WeakPolarHBondContact O-CE2 3.13Å; E39-F41 PolarHBondContact O-N 3.31Å
42	G	74.8	Confident	64.6	Low	40 Å²	40	99.9 Å²	99.9	41%	0.412	54%	0.539	S	S	.	.	S	Bend	trans	170.9	171.7	179.5	0	0	0	0	0	111.1	S40	S40-G42 VanDerWaalsContact C-N 3.26Å; S40-G42 PolarHBondContact O-N 3.09Å
43	P	88	Confident	67.7	Low	34 Å²	34	96.5 Å²	96.5	22%	0.221	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-65.5	142.2	176.4	24.2	-30.9	0	0	0	111.6	T69 E71 E279 F280	P43-T69 HydrophobicContact CB-CG2 3.64Å; P43-T69 HydrophobicContact CG-CG2 4.08Å; P43-E71 WeakPolarHBondContact CA-OE2 3.41Å; P43-E71 HydrophobicContact CB-CG 4.42Å; P43-E71 WeakPolarHBondContact CB-OE2 3.44Å; P43-E279 WeakPolarHBondContact CB-O 3.31Å; P43-E279 WeakPolarHBondContact CG-O 3.42Å; P43-F280 HydrophobicContact CG-CD1 3.54Å; P43-F280 HydrophobicContact CG-CE1 3.88Å; P43-F280 HydrophobicContact CG-CG 4.41Å
44	K	93.3	Very high	70.7	Confident	66 Å²	66	90.4 Å²	90.4	29%	0.287	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-79.5	131.8	178.9	-68.5	167	-172.5	171.7	0	109	T69 V70 E71 L102	K44-T69 CarbonylContact O-C 3.45Å; K44-T69 WeakPolarHBondContact O-CA 3.3Å; K44-V70 HydrophobicContact CB-CB 4.13Å; K44-V70 HydrophobicContact CB-CG2 3.73Å; K44-V70 PolarHBondContact O-N 2.84Å; K44-E71 PolarHBondContact N-OE1 3.09Å; K44-E71 PolarHBondContact N-OE2 2.9Å; K44-L102 HydrophobicContact CD-CB 4.39Å; K44-L102 PolarHBondContact NZ-O 2.72Å
45	P	94.4	Very high	74.1	Confident	70 Å²	70	85.1 Å²	85.1	46%	0.455	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-63	142.6	177.2	27.5	-35	0	0	0	110.3	S47 H48	P45-S47 PolarHBondContact O-N 2.96Å; P45-S47 VanDerWaalsContact O-N 3.09Å; P45-H48 WeakPolarHBondContact O-CB 3.48Å; P45-H48 PolarHBondContact O-N 3.05Å
46	I	95.1	Very high	77.4	Confident	8 Å²	8	82 Å²	82	4%	0.041	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-61.2	-23.5	-174.2	-165.9	167.6	0	0	0	114	H48 L49 I59 L62 F67 Y68 V73	I46-H48 PolarHBondContact O-N 3.07Å; I46-L49 HydrophobicContact CG1-CD1 4.11Å; I46-L49 WeakPolarHBondContact O-CB 3.24Å; I46-L49 PolarHBondContact O-N 3.15Å; I46-I59 HydrophobicContact CG1-CG2 4.31Å; I46-I59 HydrophobicContact CG2-CG2 3.97Å; I46-L62 HydrophobicContact CD1-CB 3.43Å; I46-L62 VanDerWaalsContact CD1-CB 3.43Å; I46-L62 HydrophobicContact CD1-CD1 3.77Å; I46-L62 HydrophobicContact CD1-CG 4.22Å; I46-L62 HydrophobicContact CG1-CD1 4.45Å; I46-F67 HydrophobicContact CD1-CB 3.94Å; I46-F67 WeakPolarHBondContact CD1-O 3.4Å; I46-Y68 WeakPolarHBondContact CB-O 3.41Å; I46-Y68 WeakPolarHBondContact CG2-O 3.31Å; I46-Y68 PolarHBondContact N-O 2.69Å; I46-V73 HydrophobicContact CD1-CG2 3.6Å; I46-V73 HydrophobicContact CG1-CG2 4.3Å
47	S	94.8	Very high	80.6	Confident	60 Å²	60	77.4 Å²	77.4	42%	0.42	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22.4	170.9	52.2	0	0	0	0	113.6	P45 L49 E50	P45-S47 PolarHBondContact O-N 2.96Å; P45-S47 VanDerWaalsContact O-N 3.09Å; S47-L49 PolarHBondContact O-N 2.78Å; S47-L49 VanDerWaalsContact O-N 3.13Å; S47-E50 WeakPolarHBondContact O-CB 3.48Å; S47-E50 WeakPolarHBondContact O-CG 3.25Å; S47-E50 PolarHBondContact O-N 2.72Å
48	H	94.7	Very high	83.9	Confident	53 Å²	53	72.4 Å²	72.4	25%	0.245	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-60.3	-24.2	175.5	-168.3	56.9	0	0	0	112.4	P45 I46 E50 Q51 F52 V70	P45-H48 WeakPolarHBondContact O-CB 3.48Å; P45-H48 PolarHBondContact O-N 3.05Å; I46-H48 PolarHBondContact O-N 3.07Å; H48-E50 PolarHBondContact O-N 2.99Å; H48-Q51 PolarHBondContact CE1-OE1 2.95Å; H48-Q51 PolarHBondContact ND1-OE1 3.28Å; H48-Q51 PolarHBondContact O-N 3.16Å; H48-F52 AromaticContact NE2-CE2 3.86Å; H48-F52 WeakPolarHBondContact O-CD2 3.33Å; H48-V70 HydrophobicContact CB-CG2 4.43Å
49	L	95.7	Very high	87.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-65.6	-15.7	173.5	-66.7	175.8	0	0	0	114.3	I46 S47 Q51 F52 G53 I54 I59 V70 E98 A99 L102	I46-L49 HydrophobicContact CG1-CD1 4.11Å; I46-L49 WeakPolarHBondContact O-CB 3.24Å; I46-L49 PolarHBondContact O-N 3.15Å; S47-L49 PolarHBondContact O-N 2.78Å; S47-L49 VanDerWaalsContact O-N 3.13Å; L49-Q51 VanDerWaalsContact C-N 3.26Å; L49-Q51 PolarHBondContact O-N 3.41Å; L49-F52 PolarHBondContact O-N 3.24Å; L49-F52 VanDerWaalsContact O-N 3.16Å; L49-G53 PolarHBondContact O-N 3.39Å; L49-I54 HydrophobicContact CB-CB 4.03Å; L49-I54 HydrophobicContact CB-CG1 3.88Å; L49-I54 WeakPolarHBondContact O-CB 3.27Å; L49-I54 PolarHBondContact O-N 3.13Å; L49-I54 VanDerWaalsContact O-N 3.16Å; L49-I59 HydrophobicContact CB-CD1 4.12Å; L49-V70 HydrophobicContact CD2-CG1 4.18Å; L49-V70 HydrophobicContact CD2-CG2 4.48Å; L49-V70 HydrophobicContact CG-CG2 4.2Å; L49-E98 HydrophobicContact CD2-CB 4.21Å; L49-A99 HydrophobicContact CD2-CB 4.32Å; L49-L102 HydrophobicContact CD2-CD1 3.85Å
50	E	95.4	Very high	90	Very high	82 Å²	82	63 Å²	63	38%	0.383	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-61.4	-37.4	173.6	-66.7	-169.9	148.3	0	0	111.7	S47 H48 F52 G53 T56 I59	S47-E50 WeakPolarHBondContact O-CB 3.48Å; S47-E50 WeakPolarHBondContact O-CG 3.25Å; S47-E50 PolarHBondContact O-N 2.72Å; H48-E50 PolarHBondContact O-N 2.99Å; E50-F52 PolarHBondContact O-N 3.16Å; E50-G53 PolarHBondContact O-N 3.21Å; E50-T56 VanDerWaalsContact OE1-CA 3.3Å; E50-T56 WeakPolarHBondContact OE1-CA 3.45Å; E50-T56 WeakPolarHBondContact OE1-CB 3.46Å; E50-T56 VanDerWaalsContact OE1-CG2 3.23Å; E50-T56 WeakPolarHBondContact OE1-CG2 3.33Å; E50-T56 PolarHBondContact OE1-OG1 3.19Å; E50-I59 HydrophobicContact CB-CD1 4.33Å; E50-I59 HydrophobicContact CG-CD1 3.25Å
51	Q	94.8	Very high	92.5	Very high	147 Å²	147	60.8 Å²	60.8	69%	0.687	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.5	178.7	-58.9	-177.3	-4.7	0	0	112.2	H48 L49 G53	H48-Q51 PolarHBondContact CE1-OE1 2.95Å; H48-Q51 PolarHBondContact ND1-OE1 3.28Å; H48-Q51 PolarHBondContact O-N 3.16Å; L49-Q51 VanDerWaalsContact C-N 3.26Å; L49-Q51 PolarHBondContact O-N 3.41Å; Q51-G53 VanDerWaalsContact C-N 3.35Å
52	F	94.5	Very high	94.3	Very high	73 Å²	73	52 Å²	52	32%	0.32	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-97.3	13.9	176.5	-57.1	-84.4	0	0	0	112.3	H48 L49 E50 E98 L102	H48-F52 AromaticContact NE2-CE2 3.86Å; H48-F52 WeakPolarHBondContact O-CD2 3.33Å; L49-F52 PolarHBondContact O-N 3.24Å; L49-F52 VanDerWaalsContact O-N 3.16Å; E50-F52 PolarHBondContact O-N 3.16Å; F52-E98 HydrophobicContact CB-CB 3.94Å; F52-E98 HydrophobicContact CB-CG 3.9Å; F52-L102 HydrophobicContact CD2-CD1 3.99Å; F52-L102 HydrophobicContact CE1-CD2 4.46Å; F52-L102 HydrophobicContact CE2-CD1 3.84Å; F52-L102 HydrophobicContact CE2-CD2 3.82Å; F52-L102 HydrophobicContact CE2-CG 4.33Å; F52-L102 HydrophobicContact CZ-CD1 4.47Å; F52-L102 HydrophobicContact CZ-CD2 3.71Å; F52-L102 HydrophobicContact CZ-CG 4.49Å
53	G	94.2	Very high	95.3	Very high	41 Å²	41	51.6 Å²	51.6	42%	0.423	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	25.4	173.9	0	0	0	0	0	114.3	L49 E50 Q51 K94	L49-G53 PolarHBondContact O-N 3.39Å; E50-G53 PolarHBondContact O-N 3.21Å; Q51-G53 VanDerWaalsContact C-N 3.35Å; G53-K94 PolarHBondContact O-NZ 3.49Å
54	I	96.6	Very high	95.6	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	31%	0.312	C	S	.	.			trans	-80.2	125.6	164.2	-53.7	-52	0	0	0	108.1	L49 I59 K94 I95 E98	L49-I54 HydrophobicContact CB-CB 4.03Å; L49-I54 HydrophobicContact CB-CG1 3.88Å; L49-I54 WeakPolarHBondContact O-CB 3.27Å; L49-I54 PolarHBondContact O-N 3.13Å; L49-I54 VanDerWaalsContact O-N 3.16Å; I54-I59 HydrophobicContact CB-CD1 4.32Å; I54-I59 HydrophobicContact CB-CG1 4.42Å; I54-I59 HydrophobicContact CG2-CD1 4.26Å; I54-I59 HydrophobicContact CG2-CG1 3.83Å; I54-K94 HydrophobicContact CD1-CB 4.44Å; I54-K94 HydrophobicContact CD1-CD 3.86Å; I54-K94 HydrophobicContact CD1-CG 3.82Å; I54-I95 HydrophobicContact CD1-CG1 3.96Å; I54-I95 HydrophobicContact CG1-CG1 4.38Å; I54-I95 HydrophobicContact CG2-CD1 4.46Å; I54-I95 HydrophobicContact CG2-CG1 3.89Å; I54-E98 HydrophobicContact CD1-CG 4.17Å
55	P	96.5	Very high	95.6	Very high	74 Å²	74	55 Å²	55	48%	0.481	31%	0.314	S	S	.	.			trans	-66.2	140.6	-177.4	-21.6	33.3	0	0	0	113	G57 D58 I59	P55-G57 PolarHBondContact O-N 3.08Å; P55-G57 VanDerWaalsContact O-N 3.09Å; P55-D58 PolarHBondContact O-N 3.32Å; P55-I59 PolarHBondContact O-N 3.42Å; P55-I59 VanDerWaalsContact O-N 3.09Å
56	T	96.3	Very high	95.5	Very high	92 Å²	92	51.7 Å²	51.7	56%	0.564	29%	0.293	S	S	*	.	H	α-helix	trans	-47.5	-39.7	173.2	-46	0	0	0	0	113	E50 D58 I59 K60	E50-T56 VanDerWaalsContact OE1-CA 3.3Å; E50-T56 WeakPolarHBondContact OE1-CA 3.45Å; E50-T56 WeakPolarHBondContact OE1-CB 3.46Å; E50-T56 VanDerWaalsContact OE1-CG2 3.23Å; E50-T56 WeakPolarHBondContact OE1-CG2 3.33Å; E50-T56 PolarHBondContact OE1-OG1 3.19Å; T56-D58 VanDerWaalsContact C-N 3.27Å; T56-D58 PolarHBondContact O-N 2.96Å; T56-I59 PolarHBondContact O-N 2.99Å; T56-K60 WeakPolarHBondContact O-CB 3.38Å; T56-K60 PolarHBondContact O-N 3.21Å
57	G	97.2	Very high	95.5	Very high	49 Å²	49	51.8 Å²	51.8	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-70.9	-14.9	178.9	0	0	0	0	0	115.3	P55 K61	P55-G57 PolarHBondContact O-N 3.08Å; P55-G57 VanDerWaalsContact O-N 3.09Å; G57-K61 VanDerWaalsContact O-CE 3.27Å; G57-K61 WeakPolarHBondContact O-CE 3.37Å; G57-K61 WeakPolarHBondContact O-CG 3.2Å
58	D	96.9	Very high	95.6	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-93.4	-37.3	168.8	-68.6	-37.7	0	0	0	111	P55 T56 K60 K61 L62 I87 K91	P55-D58 PolarHBondContact O-N 3.32Å; T56-D58 VanDerWaalsContact C-N 3.27Å; T56-D58 PolarHBondContact O-N 2.96Å; D58-K60 VanDerWaalsContact C-N 3.31Å; D58-K60 PolarHBondContact O-N 3.09Å; D58-K61 WeakPolarHBondContact O-CB 3.41Å; D58-K61 PolarHBondContact O-N 3.44Å; D58-K61 VanDerWaalsContact O-N 3.09Å; D58-K61 IonicContact OD1-NZ 2.69Å; D58-K61 PolarHBondContact OD1-NZ 3.26Å; D58-L62 PolarHBondContact O-N 2.89Å; D58-L62 VanDerWaalsContact O-N 3.16Å; D58-I87 HydrophobicContact CB-CD1 4.06Å; D58-K91 IonicContact OD1-NZ 2.73Å; D58-K91 PolarHBondContact OD1-NZ 3.03Å; D58-K91 WeakPolarHBondContact OD2-CD 3.43Å; D58-K91 VanDerWaalsContact OD2-CE 3.25Å; D58-K91 WeakPolarHBondContact OD2-CE 3.36Å; D58-K91 IonicContact OD2-NZ 2.78Å; D58-K91 PolarHBondContact OD2-NZ 3.35Å
59	I	97	Very high	95.6	Very high	10 Å²	10	49.2 Å²	49.2	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-43.6	172.3	-68.1	171.4	0	0	0	111.1	I46 L49 E50 I54 P55 T56 K61 L62 S63	I46-I59 HydrophobicContact CG1-CG2 4.31Å; I46-I59 HydrophobicContact CG2-CG2 3.97Å; L49-I59 HydrophobicContact CB-CD1 4.12Å; E50-I59 HydrophobicContact CB-CD1 4.33Å; E50-I59 HydrophobicContact CG-CD1 3.25Å; I54-I59 HydrophobicContact CB-CD1 4.32Å; I54-I59 HydrophobicContact CB-CG1 4.42Å; I54-I59 HydrophobicContact CG2-CD1 4.26Å; I54-I59 HydrophobicContact CG2-CG1 3.83Å; P55-I59 PolarHBondContact O-N 3.42Å; P55-I59 VanDerWaalsContact O-N 3.09Å; T56-I59 PolarHBondContact O-N 2.99Å; I59-K61 PolarHBondContact O-N 2.86Å; I59-L62 WeakPolarHBondContact O-CA 3.47Å; I59-L62 WeakPolarHBondContact O-CB 3.26Å; I59-L62 PolarHBondContact O-N 3.41Å; I59-S63 PolarHBondContact O-N 3.16Å; I59-S63 PolarHBondContact O-OG 2.95Å
60	K	96.8	Very high	95.7	Very high	130 Å²	130	49.2 Å²	49.2	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-55.8	-38.2	175.6	-165	-173.9	-175.8	-121.5	0	112.5	T56 D58 S63 E64	T56-K60 WeakPolarHBondContact O-CB 3.38Å; T56-K60 PolarHBondContact O-N 3.21Å; D58-K60 VanDerWaalsContact C-N 3.31Å; D58-K60 PolarHBondContact O-N 3.09Å; K60-S63 PolarHBondContact O-N 3.2Å; K60-E64 VanDerWaalsContact CE-OE1 3.24Å; K60-E64 WeakPolarHBondContact CE-OE1 3.28Å; K60-E64 IonicContact NZ-OE1 2.69Å; K60-E64 PolarHBondContact NZ-OE1 2.89Å; K60-E64 WeakPolarHBondContact O-CB 3.4Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.29Å
61	K	97.2	Very high	95.7	Very high	50 Å²	50	46.3 Å²	46.3	22%	0.217	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-33.9	177	-60.7	167.4	-170.9	157.1	0	112.3	G57 D58 I59 A65 I84 G86 I87	G57-K61 VanDerWaalsContact O-CE 3.27Å; G57-K61 WeakPolarHBondContact O-CE 3.37Å; G57-K61 WeakPolarHBondContact O-CG 3.2Å; D58-K61 WeakPolarHBondContact O-CB 3.41Å; D58-K61 PolarHBondContact O-N 3.44Å; D58-K61 VanDerWaalsContact O-N 3.09Å; D58-K61 IonicContact OD1-NZ 2.69Å; D58-K61 PolarHBondContact OD1-NZ 3.26Å; I59-K61 PolarHBondContact O-N 2.86Å; K61-A65 VanDerWaalsContact O-CB 3.28Å; K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.34Å; K61-I84 HydrophobicContact CB-CG2 4.01Å; K61-G86 PolarHBondContact NZ-O 3.22Å; K61-I87 HydrophobicContact CB-CD1 4.48Å; K61-I87 HydrophobicContact CD-CD1 4.01Å
62	L	96.5	Very high	95.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-46.3	174.1	-61.9	172	0	0	0	109.5	I46 D58 I59 A65 G66 F67 V73 L81 I84 I95	I46-L62 HydrophobicContact CD1-CB 3.43Å; I46-L62 VanDerWaalsContact CD1-CB 3.43Å; I46-L62 HydrophobicContact CD1-CD1 3.77Å; I46-L62 HydrophobicContact CD1-CG 4.22Å; I46-L62 HydrophobicContact CG1-CD1 4.45Å; D58-L62 PolarHBondContact O-N 2.89Å; D58-L62 VanDerWaalsContact O-N 3.16Å; I59-L62 WeakPolarHBondContact O-CA 3.47Å; I59-L62 WeakPolarHBondContact O-CB 3.26Å; I59-L62 PolarHBondContact O-N 3.41Å; L62-A65 CarbonylContact O-C 3.56Å; L62-A65 WeakPolarHBondContact O-CA 3.38Å; L62-A65 PolarHBondContact O-N 2.98Å; L62-A65 VanDerWaalsContact O-N 3.08Å; L62-G66 PolarHBondContact O-N 2.77Å; L62-F67 CarbonylContact C-O 3.52Å; L62-F67 HydrophobicContact CB-CB 4.15Å; L62-F67 WeakPolarHBondContact O-CB 3.18Å; L62-F67 WeakPolarHBondContact O-CD2 3.37Å; L62-F67 PolarHBondContact O-N 3.17Å; L62-V73 HydrophobicContact CD1-CG2 4.37Å; L62-L81 HydrophobicContact CD2-CD2 4.19Å; L62-I84 HydrophobicContact CD2-CD1 3.69Å; L62-I95 HydrophobicContact CD1-CD1 4.24Å; L62-I95 HydrophobicContact CD1-CG2 4.1Å
63	S	95	Very high	95.8	Very high	31 Å²	31	35.9 Å²	35.9	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-43.9	174.6	-51.2	0	0	0	0	112.8	I59 K60 A65 G66 F67	I59-S63 PolarHBondContact O-N 3.16Å; I59-S63 PolarHBondContact O-OG 2.95Å; K60-S63 PolarHBondContact O-N 3.2Å; S63-A65 PolarHBondContact O-N 3.41Å; S63-G66 PolarHBondContact O-N 3.44Å; S63-F67 VanDerWaalsContact CA-O 3.31Å; S63-F67 WeakPolarHBondContact CA-O 3.41Å; S63-F67 PolarHBondContact N-O 3.34Å
64	E	93.9	Very high	95.9	Very high	131 Å²	131	34.4 Å²	34.4	61%	0.612	20%	0.195	S	C	*	.	H	α-helix	trans	-60.5	-23.7	172.9	-74.7	171.7	-176.8	0	0	112.9	K60	K60-E64 VanDerWaalsContact CE-OE1 3.24Å; K60-E64 WeakPolarHBondContact CE-OE1 3.28Å; K60-E64 IonicContact NZ-OE1 2.69Å; K60-E64 PolarHBondContact NZ-OE1 2.89Å; K60-E64 WeakPolarHBondContact O-CB 3.4Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.29Å
65	A	93.9	Very high	95.8	Very high	42 Å²	42	38 Å²	38	35%	0.347	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.8	174.4	0	0	0	0	0	114.1	K61 L62 S63 F67 I84	K61-A65 VanDerWaalsContact O-CB 3.28Å; K61-A65 WeakPolarHBondContact O-CB 3.37Å; K61-A65 PolarHBondContact O-N 3.34Å; L62-A65 CarbonylContact O-C 3.56Å; L62-A65 WeakPolarHBondContact O-CA 3.38Å; L62-A65 PolarHBondContact O-N 2.98Å; L62-A65 VanDerWaalsContact O-N 3.08Å; S63-A65 PolarHBondContact O-N 3.41Å; A65-F67 HydrophobicContact CB-CD2 3.93Å; A65-F67 HydrophobicContact CB-CE2 3.94Å; A65-I84 HydrophobicContact CB-CD1 3.83Å; A65-I84 HydrophobicContact CB-CG1 3.9Å; A65-I84 HydrophobicContact CB-CG2 4.18Å
66	G	93.2	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	26.7	177.3	0	0	0	0	0	115.4	L62 S63	L62-G66 PolarHBondContact O-N 2.77Å; S63-G66 PolarHBondContact O-N 3.44Å
67	F	95	Very high	95.7	Very high	10 Å²	10	34.7 Å²	34.7	4%	0.044	19%	0.191	C	C	.	.			trans	-109.8	108.1	171.7	-57.3	-79.7	0	0	0	109.4	I46 L62 S63 A65 S72 V73 T76 V80 L81 I84	I46-F67 HydrophobicContact CD1-CB 3.94Å; I46-F67 WeakPolarHBondContact CD1-O 3.4Å; L62-F67 CarbonylContact C-O 3.52Å; L62-F67 HydrophobicContact CB-CB 4.15Å; L62-F67 WeakPolarHBondContact O-CB 3.18Å; L62-F67 WeakPolarHBondContact O-CD2 3.37Å; L62-F67 PolarHBondContact O-N 3.17Å; S63-F67 VanDerWaalsContact CA-O 3.31Å; S63-F67 WeakPolarHBondContact CA-O 3.41Å; S63-F67 PolarHBondContact N-O 3.34Å; A65-F67 HydrophobicContact CB-CD2 3.93Å; A65-F67 HydrophobicContact CB-CE2 3.94Å; F67-S72 WeakPolarHBondContact CA-OG 3.28Å; F67-S72 WeakPolarHBondContact CB-OG 3.39Å; F67-V73 HydrophobicContact CB-CG2 4.02Å; F67-V73 HydrophobicContact CG-CG2 4.44Å; F67-T76 HydrophobicContact CE1-CG2 3.81Å; F67-T76 WeakPolarHBondContact CE1-OG1 3.39Å; F67-T76 HydrophobicContact CZ-CG2 3.92Å; F67-V80 HydrophobicContact CZ-CG1 4.35Å; F67-L81 HydrophobicContact CE2-CD2 4.29Å; F67-L81 HydrophobicContact CZ-CD2 4.22Å; F67-I84 HydrophobicContact CD2-CD1 4.05Å; F67-I84 HydrophobicContact CE2-CD1 3.72Å
68	Y	95.5	Very high	95.7	Very high	56 Å²	56	35.1 Å²	35.1	22%	0.22	18%	0.178	C	C	.	.			trans	-109.7	-14	-175.2	-59	-80.4	0	0	0	113.4	I46 S229 A230	I46-Y68 WeakPolarHBondContact CB-O 3.41Å; I46-Y68 WeakPolarHBondContact CG2-O 3.31Å; I46-Y68 PolarHBondContact N-O 2.69Å; Y68-S229 WeakPolarHBondContact CD2-OG 3.4Å; Y68-A230 HydrophobicContact CD1-CB 4.25Å; Y68-A230 HydrophobicContact CD2-CB 4.17Å; Y68-A230 HydrophobicContact CE1-CB 3.82Å; Y68-A230 HydrophobicContact CE2-CB 3.7Å; Y68-A230 HydrophobicContact CG-CB 4.41Å
69	T	96.3	Very high	95.7	Very high	2 Å²	2	42 Å²	42	1%	0.012	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-124.5	160.1	-177.5	65.1	0	0	0	0	111.6	P43 K44 E71 S72 E279 F280	P43-T69 HydrophobicContact CB-CG2 3.64Å; P43-T69 HydrophobicContact CG-CG2 4.08Å; K44-T69 CarbonylContact O-C 3.45Å; K44-T69 WeakPolarHBondContact O-CA 3.3Å; T69-E71 VanDerWaalsContact C-N 3.3Å; T69-S72 PolarHBondContact N-OG 2.97Å; T69-S72 PolarHBondContact O-N 3.09Å; T69-S72 PolarHBondContact O-OG 3.5Å; T69-S72 WeakPolarHBondContact OG1-CB 3.21Å; T69-S72 PolarHBondContact OG1-N 2.92Å; T69-S72 PolarHBondContact OG1-OG 2.67Å; T69-E279 HydrophobicContact CG2-CG 4.13Å; T69-E279 VanDerWaalsContact CG2-OE1 3.25Å; T69-E279 WeakPolarHBondContact CG2-OE1 3.35Å; T69-E279 WeakPolarHBondContact OG1-CG 3.45Å; T69-E279 PolarHBondContact OG1-OE1 3.1Å; T69-F280 HydrophobicContact CG2-CE1 3.65Å; T69-F280 HydrophobicContact CG2-CZ 3.73Å
70	V	96.6	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-36.7	174.3	-176.2	0	0	0	0	110.6	K44 H48 L49 V73 A74 A99 L102 V103	K44-V70 HydrophobicContact CB-CB 4.13Å; K44-V70 HydrophobicContact CB-CG2 3.73Å; K44-V70 PolarHBondContact O-N 2.84Å; H48-V70 HydrophobicContact CB-CG2 4.43Å; L49-V70 HydrophobicContact CD2-CG1 4.18Å; L49-V70 HydrophobicContact CD2-CG2 4.48Å; L49-V70 HydrophobicContact CG-CG2 4.2Å; V70-V73 PolarHBondContact O-N 3.18Å; V70-A74 WeakPolarHBondContact O-CB 3.44Å; V70-A74 PolarHBondContact O-N 3.24Å; V70-A99 HydrophobicContact CG1-CB 3.75Å; V70-L102 HydrophobicContact CG1-CB 4.02Å; V70-L102 HydrophobicContact CG1-CD1 3.94Å; V70-L102 HydrophobicContact CG2-CD1 4.44Å; V70-V103 HydrophobicContact CB-CG2 4.43Å; V70-V103 HydrophobicContact CG1-CG2 3.93Å
71	E	95.3	Very high	95.6	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-47.4	174.7	-68.1	71.1	-159.3	0	0	111.2	P43 K44 T69 V73 A74 F75 V103 E279	P43-E71 WeakPolarHBondContact CA-OE2 3.41Å; P43-E71 HydrophobicContact CB-CG 4.42Å; P43-E71 WeakPolarHBondContact CB-OE2 3.44Å; K44-E71 PolarHBondContact N-OE1 3.09Å; K44-E71 PolarHBondContact N-OE2 2.9Å; T69-E71 VanDerWaalsContact C-N 3.3Å; E71-V73 PolarHBondContact O-N 2.7Å; E71-A74 PolarHBondContact O-N 2.96Å; E71-F75 HydrophobicContact CB-CD2 4.33Å; E71-F75 HydrophobicContact CB-CE2 3.84Å; E71-F75 HydrophobicContact CB-CZ 4.21Å; E71-F75 HydrophobicContact CG-CE2 4.45Å; E71-F75 HydrophobicContact CG-CZ 4.43Å; E71-F75 WeakPolarHBondContact O-CB 3.47Å; E71-F75 VanDerWaalsContact O-CD2 3.31Å; E71-F75 WeakPolarHBondContact O-CD2 3.14Å; E71-F75 VanDerWaalsContact O-CG 3.23Å; E71-F75 WeakPolarHBondContact O-CG 3.33Å; E71-F75 PolarHBondContact O-N 2.93Å; E71-V103 HydrophobicContact CG-CG1 4.32Å; E71-V103 HydrophobicContact CG-CG2 4.04Å; E71-E279 HydrophobicContact CB-CG 4.22Å
72	S	95.2	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-33.6	177.8	74.2	0	0	0	0	113.1	F67 T69 T76 E279	F67-S72 WeakPolarHBondContact CA-OG 3.28Å; F67-S72 WeakPolarHBondContact CB-OG 3.39Å; T69-S72 PolarHBondContact N-OG 2.97Å; T69-S72 PolarHBondContact O-N 3.09Å; T69-S72 PolarHBondContact O-OG 3.5Å; T69-S72 WeakPolarHBondContact OG1-CB 3.21Å; T69-S72 PolarHBondContact OG1-N 2.92Å; T69-S72 PolarHBondContact OG1-OG 2.67Å; S72-T76 VanDerWaalsContact O-CB 3.31Å; S72-T76 WeakPolarHBondContact O-CB 3.47Å; S72-T76 PolarHBondContact O-OG1 3.41Å; S72-E279 WeakPolarHBondContact CB-OE1 3.42Å; S72-E279 WeakPolarHBondContact CB-OE2 3.16Å
73	V	96.4	Very high	95.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-78.6	-47.7	177.4	175.6	0	0	0	0	110.6	I46 L62 F67 V70 E71 F75 T76 L81 I95 A99	I46-V73 HydrophobicContact CD1-CG2 3.6Å; I46-V73 HydrophobicContact CG1-CG2 4.3Å; L62-V73 HydrophobicContact CD1-CG2 4.37Å; F67-V73 HydrophobicContact CB-CG2 4.02Å; F67-V73 HydrophobicContact CG-CG2 4.44Å; V70-V73 PolarHBondContact O-N 3.18Å; E71-V73 PolarHBondContact O-N 2.7Å; V73-F75 VanDerWaalsContact C-N 3.33Å; V73-F75 PolarHBondContact O-N 3.02Å; V73-T76 PolarHBondContact O-N 3.47Å; V73-T76 VanDerWaalsContact O-N 3.14Å; V73-L81 HydrophobicContact CG1-CD1 4.33Å; V73-I95 HydrophobicContact CG1-CG2 3.43Å; V73-I95 VanDerWaalsContact CG1-CG2 3.43Å; V73-A99 HydrophobicContact CG1-CB 4.16Å
74	A	96.2	Very high	95.6	Very high	11 Å²	11	44.7 Å²	44.7	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-39.8	-178.5	0	0	0	0	0	112.5	V70 E71 T76 A99 V103 M105	V70-A74 WeakPolarHBondContact O-CB 3.44Å; V70-A74 PolarHBondContact O-N 3.24Å; E71-A74 PolarHBondContact O-N 2.96Å; A74-T76 VanDerWaalsContact C-N 3.28Å; A74-T76 PolarHBondContact O-N 3.19Å; A74-A99 HydrophobicContact CB-CB 4.15Å; A74-V103 HydrophobicContact CB-CB 4.05Å; A74-V103 HydrophobicContact CB-CG1 4.34Å; A74-V103 HydrophobicContact CB-CG2 3.93Å; A74-M105 HydrophobicContact CB-CE 4.19Å; A74-M105 HydrophobicContact CB-SD 3.8Å
75	F	94.3	Very high	95.7	Very high	82 Å²	82	47.9 Å²	47.9	36%	0.36	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.1	178.8	-56.3	-25.5	0	0	0	114	E71 V73 V103 M105 D278	E71-F75 HydrophobicContact CB-CD2 4.33Å; E71-F75 HydrophobicContact CB-CE2 3.84Å; E71-F75 HydrophobicContact CB-CZ 4.21Å; E71-F75 HydrophobicContact CG-CE2 4.45Å; E71-F75 HydrophobicContact CG-CZ 4.43Å; E71-F75 WeakPolarHBondContact O-CB 3.47Å; E71-F75 VanDerWaalsContact O-CD2 3.31Å; E71-F75 WeakPolarHBondContact O-CD2 3.14Å; E71-F75 VanDerWaalsContact O-CG 3.23Å; E71-F75 WeakPolarHBondContact O-CG 3.33Å; E71-F75 PolarHBondContact O-N 2.93Å; V73-F75 VanDerWaalsContact C-N 3.33Å; V73-F75 PolarHBondContact O-N 3.02Å; F75-V103 HydrophobicContact CE1-CG1 3.63Å; F75-V103 HydrophobicContact CZ-CG1 3.92Å; F75-M105 HydrophobicContact CD1-SD 4.06Å; F75-M105 HydrophobicContact CE1-CG 4.29Å; F75-M105 HydrophobicContact CE1-SD 4.32Å; F75-D278 HydrophobicContact CE2-CB 4.39Å
76	T	94.7	Very high	95.8	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	24%	0.244	C	C	.	.	S	Bend	trans	-94.8	127.6	-173.5	-71.7	0	0	0	0	111.9	F67 S72 V73 A74 K78 V80 L81	F67-T76 HydrophobicContact CE1-CG2 3.81Å; F67-T76 WeakPolarHBondContact CE1-OG1 3.39Å; F67-T76 HydrophobicContact CZ-CG2 3.92Å; S72-T76 VanDerWaalsContact O-CB 3.31Å; S72-T76 WeakPolarHBondContact O-CB 3.47Å; S72-T76 PolarHBondContact O-OG1 3.41Å; V73-T76 PolarHBondContact O-N 3.47Å; V73-T76 VanDerWaalsContact O-N 3.14Å; A74-T76 VanDerWaalsContact C-N 3.28Å; A74-T76 PolarHBondContact O-N 3.19Å; T76-K78 PolarHBondContact O-N 2.91Å; T76-V80 HydrophobicContact CG2-CB 3.73Å; T76-V80 HydrophobicContact CG2-CG1 3.99Å; T76-V80 HydrophobicContact CG2-CG2 4.46Å; T76-L81 HydrophobicContact CG2-CD2 3.98Å; T76-L81 HydrophobicContact CG2-CG 4.07Å
77	P	95.9	Very high	96	Very high	86 Å²	86	48.7 Å²	48.7	56%	0.558	25%	0.247	S	C	*	.			trans	-59.2	137.2	178.1	-23.9	33.5	0	0	0	112.4	K79 V80	P77-K79 PolarHBondContact O-N 3.48Å; P77-V80 PolarHBondContact O-N 3.38Å
78	K	97.2	Very high	96.1	Very high	57 Å²	57	51.2 Å²	51.2	25%	0.248	27%	0.266	C	S	.	.	H	α-helix	trans	-43.4	-41	177.3	-175.6	177.1	175.8	179.3	0	113	T76 V80 L81 L82 D89 A92 D93 L96	T76-K78 PolarHBondContact O-N 2.91Å; K78-V80 VanDerWaalsContact C-N 3.29Å; K78-V80 PolarHBondContact O-N 3.43Å; K78-L81 PolarHBondContact O-N 2.88Å; K78-L81 VanDerWaalsContact O-N 3.09Å; K78-L82 HydrophobicContact CG-CD1 4.07Å; K78-L82 HydrophobicContact CG-CG 4.25Å; K78-L82 WeakPolarHBondContact O-CG 3.34Å; K78-L82 PolarHBondContact O-N 3.09Å; K78-D89 WeakPolarHBondContact CE-OD2 3.5Å; K78-D89 IonicContact NZ-OD1 3.04Å; K78-D89 PolarHBondContact NZ-OD1 3.24Å; K78-D89 IonicContact NZ-OD2 2.84Å; K78-D89 PolarHBondContact NZ-OD2 3.04Å; K78-A92 HydrophobicContact CG-CB 4.18Å; K78-D93 WeakPolarHBondContact CD-OD1 3.18Å; K78-D93 WeakPolarHBondContact CE-OD1 3.5Å; K78-D93 IonicContact NZ-OD1 3.48Å; K78-D93 PolarHBondContact NZ-OD1 3.16Å; K78-D93 IonicContact NZ-OD2 3.58Å; K78-D93 PolarHBondContact NZ-OD2 2.9Å; K78-L96 HydrophobicContact CB-CD1 3.72Å; K78-L96 HydrophobicContact CG-CD1 4.07Å
79	K	97.1	Very high	96.2	Very high	151 Å²	151	52.6 Å²	52.6	66%	0.657	28%	0.277	S	S	*	.	H	α-helix	trans	-50.1	-45.2	176.8	-177.4	-176.5	171.2	-171.9	0	113.2	P77 L82 E83	P77-K79 PolarHBondContact O-N 3.48Å; K79-L82 PolarHBondContact O-N 2.8Å; K79-E83 WeakPolarHBondContact CE-OE1 3.34Å; K79-E83 PolarHBondContact O-N 2.73Å
80	V	95.1	Very high	96.3	Very high	58 Å²	58	56 Å²	56	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-71	-37.3	-178.3	-178.2	0	0	0	0	110.6	F67 T76 P77 K78 L82 E83	F67-V80 HydrophobicContact CZ-CG1 4.35Å; T76-V80 HydrophobicContact CG2-CB 3.73Å; T76-V80 HydrophobicContact CG2-CG1 3.99Å; T76-V80 HydrophobicContact CG2-CG2 4.46Å; P77-V80 PolarHBondContact O-N 3.38Å; K78-V80 VanDerWaalsContact C-N 3.29Å; K78-V80 PolarHBondContact O-N 3.43Å; V80-L82 VanDerWaalsContact C-N 3.25Å; V80-L82 PolarHBondContact O-N 3.46Å; V80-E83 WeakPolarHBondContact O-CB 3.45Å; V80-E83 PolarHBondContact O-N 3.33Å; V80-E83 VanDerWaalsContact O-N 3.12Å
81	L	96.6	Very high	96.3	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-29.8	174.6	-60.1	178.1	0	0	0	112.5	L62 F67 V73 T76 K78 E83 I84 A92 L96	L62-L81 HydrophobicContact CD2-CD2 4.19Å; F67-L81 HydrophobicContact CE2-CD2 4.29Å; F67-L81 HydrophobicContact CZ-CD2 4.22Å; V73-L81 HydrophobicContact CG1-CD1 4.33Å; T76-L81 HydrophobicContact CG2-CD2 3.98Å; T76-L81 HydrophobicContact CG2-CG 4.07Å; K78-L81 PolarHBondContact O-N 2.88Å; K78-L81 VanDerWaalsContact O-N 3.09Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-I84 HydrophobicContact CD2-CD1 4.05Å; L81-I84 WeakPolarHBondContact O-CB 3.02Å; L81-I84 WeakPolarHBondContact O-CG1 3.45Å; L81-I84 PolarHBondContact O-N 3.33Å; L81-A92 HydrophobicContact CB-CB 4.39Å; L81-L96 HydrophobicContact CD1-CD1 4.06Å; L81-L96 HydrophobicContact CD1-CD2 3.69Å; L81-L96 HydrophobicContact CD1-CG 3.72Å
82	L	97.4	Very high	96.4	Very high	68 Å²	68	58.5 Å²	58.5	36%	0.356	32%	0.316	S	S	.	.	H	α-helix	trans	-75.3	-16.2	174.8	-62.6	171.7	0	0	0	113.7	K78 K79 V80 D89 A92	K78-L82 HydrophobicContact CG-CD1 4.07Å; K78-L82 HydrophobicContact CG-CG 4.25Å; K78-L82 WeakPolarHBondContact O-CG 3.34Å; K78-L82 PolarHBondContact O-N 3.09Å; K79-L82 PolarHBondContact O-N 2.8Å; V80-L82 VanDerWaalsContact C-N 3.25Å; V80-L82 PolarHBondContact O-N 3.46Å; L82-D89 HydrophobicContact CD2-CB 4.33Å; L82-A92 HydrophobicContact CD2-CB 3.83Å; L82-A92 HydrophobicContact CG-CB 4.47Å
83	E	96.5	Very high	96.5	Very high	133 Å²	133	61.7 Å²	61.7	62%	0.621	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.4	172.4	-66.9	168.3	-170.5	0	0	111.3	K79 V80 L81 K85	K79-E83 WeakPolarHBondContact CE-OE1 3.34Å; K79-E83 PolarHBondContact O-N 2.73Å; V80-E83 WeakPolarHBondContact O-CB 3.45Å; V80-E83 PolarHBondContact O-N 3.33Å; V80-E83 VanDerWaalsContact O-N 3.12Å; L81-E83 VanDerWaalsContact C-N 3.31Å; E83-K85 PolarHBondContact O-N 3.12Å
84	I	96.5	Very high	96.5	Very high	19 Å²	19	66.3 Å²	66.3	10%	0.097	35%	0.353	C	S	.	.	S	Bend	trans	-77	116.4	177.4	-52	173.8	0	0	0	110.5	K61 L62 A65 F67 L81 G86 I87	K61-I84 HydrophobicContact CB-CG2 4.01Å; L62-I84 HydrophobicContact CD2-CD1 3.69Å; A65-I84 HydrophobicContact CB-CD1 3.83Å; A65-I84 HydrophobicContact CB-CG1 3.9Å; A65-I84 HydrophobicContact CB-CG2 4.18Å; F67-I84 HydrophobicContact CD2-CD1 4.05Å; F67-I84 HydrophobicContact CE2-CD1 3.72Å; L81-I84 HydrophobicContact CD2-CD1 4.05Å; L81-I84 WeakPolarHBondContact O-CB 3.02Å; L81-I84 WeakPolarHBondContact O-CG1 3.45Å; L81-I84 PolarHBondContact O-N 3.33Å; I84-G86 PolarHBondContact O-N 3.36Å; I84-I87 HydrophobicContact CB-CB 4.36Å; I84-I87 HydrophobicContact CB-CG1 3.84Å; I84-I87 HydrophobicContact CG2-CG1 3.8Å; I84-I87 PolarHBondContact O-N 3.4Å
85	K	96.2	Very high	96.6	Very high	198 Å²	198	65.9 Å²	65.9	86%	0.861	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	114.5	-177.7	-175.9	179.4	178.2	-178.4	0	112.1	E83	E83-K85 PolarHBondContact O-N 3.12Å
86	G	95.5	Very high	96.7	Very high	47 Å²	47	63.3 Å²	63.3	49%	0.485	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.6	10.9	176.5	0	0	0	0	0	115	K61 I84	K61-G86 PolarHBondContact NZ-O 3.22Å; I84-G86 PolarHBondContact O-N 3.36Å
87	I	97.2	Very high	96.8	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.062	36%	0.36	C	S	.	.			trans	-93.1	121.2	157.5	-57.2	-57	0	0	0	107.3	D58 K61 I84 K91 A92 I95	D58-I87 HydrophobicContact CB-CD1 4.06Å; K61-I87 HydrophobicContact CB-CD1 4.48Å; K61-I87 HydrophobicContact CD-CD1 4.01Å; I84-I87 HydrophobicContact CB-CB 4.36Å; I84-I87 HydrophobicContact CB-CG1 3.84Å; I84-I87 HydrophobicContact CG2-CG1 3.8Å; I84-I87 PolarHBondContact O-N 3.4Å; I87-K91 HydrophobicContact CG2-CB 4.15Å; I87-A92 HydrophobicContact CG2-CB 3.98Å; I87-I95 HydrophobicContact CD1-CD1 4.24Å
88	S	97.1	Very high	96.8	Very high	63 Å²	63	63.8 Å²	63.8	44%	0.441	34%	0.339	S	S	.	.			trans	-95.8	168	174.8	60.8	0	0	0	0	110.9	A90 K91 A92	S88-A90 PolarHBondContact O-N 3.31Å; S88-K91 WeakPolarHBondContact O-CA 3.38Å; S88-K91 WeakPolarHBondContact O-CB 3.46Å; S88-K91 PolarHBondContact O-N 3.12Å; S88-K91 WeakPolarHBondContact OG-CG 3.42Å; S88-A92 PolarHBondContact O-N 2.66Å
89	D	97.4	Very high	96.8	Very high	85 Å²	85	61 Å²	61	46%	0.455	33%	0.327	S	S	.	.	H	α-helix	trans	-53.2	-50.4	-178.4	-159.4	-96.9	0	0	0	113.2	K78 L82 K91 A92 D93	K78-D89 WeakPolarHBondContact CE-OD2 3.5Å; K78-D89 IonicContact NZ-OD1 3.04Å; K78-D89 PolarHBondContact NZ-OD1 3.24Å; K78-D89 IonicContact NZ-OD2 2.84Å; K78-D89 PolarHBondContact NZ-OD2 3.04Å; L82-D89 HydrophobicContact CD2-CB 4.33Å; D89-K91 VanDerWaalsContact C-N 3.28Å; D89-K91 PolarHBondContact O-N 2.84Å; D89-A92 PolarHBondContact O-N 3.03Å; D89-D93 PolarHBondContact O-N 3.03Å
90	A	97.2	Very high	96.6	Very high	74 Å²	74	56.4 Å²	56.4	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-63.9	-27.1	175.8	0	0	0	0	0	114.2	S88 K94	S88-A90 PolarHBondContact O-N 3.31Å; A90-K94 PolarHBondContact O-N 2.83Å
91	K	96.9	Very high	96.6	Very high	74 Å²	74	59.9 Å²	59.9	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-74.5	-45.4	173.1	-73.8	-176.4	172.4	-159	0	111	D58 I87 S88 D89 D93 K94 I95	D58-K91 IonicContact OD1-NZ 2.73Å; D58-K91 PolarHBondContact OD1-NZ 3.03Å; D58-K91 WeakPolarHBondContact OD2-CD 3.43Å; D58-K91 VanDerWaalsContact OD2-CE 3.25Å; D58-K91 WeakPolarHBondContact OD2-CE 3.36Å; D58-K91 IonicContact OD2-NZ 2.78Å; D58-K91 PolarHBondContact OD2-NZ 3.35Å; I87-K91 HydrophobicContact CG2-CB 4.15Å; S88-K91 WeakPolarHBondContact O-CA 3.38Å; S88-K91 WeakPolarHBondContact O-CB 3.46Å; S88-K91 PolarHBondContact O-N 3.12Å; S88-K91 WeakPolarHBondContact OG-CG 3.42Å; D89-K91 VanDerWaalsContact C-N 3.28Å; D89-K91 PolarHBondContact O-N 2.84Å; K91-D93 VanDerWaalsContact C-N 3.3Å; K91-D93 PolarHBondContact O-N 3.37Å; K91-K94 PolarHBondContact O-N 3.24Å; K91-I95 HydrophobicContact CB-CD1 4.47Å; K91-I95 WeakPolarHBondContact O-CB 3.46Å; K91-I95 WeakPolarHBondContact O-CD1 3.25Å; K91-I95 WeakPolarHBondContact O-CG1 3.33Å; K91-I95 PolarHBondContact O-N 3.42Å
92	A	97.5	Very high	96.4	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-43	177.3	0	0	0	0	0	111.1	K78 L81 L82 I87 S88 D89 I95 L96	K78-A92 HydrophobicContact CG-CB 4.18Å; L81-A92 HydrophobicContact CB-CB 4.39Å; L82-A92 HydrophobicContact CD2-CB 3.83Å; L82-A92 HydrophobicContact CG-CB 4.47Å; I87-A92 HydrophobicContact CG2-CB 3.98Å; S88-A92 PolarHBondContact O-N 2.66Å; D89-A92 PolarHBondContact O-N 3.03Å; A92-I95 PolarHBondContact O-N 3.37Å; A92-L96 WeakPolarHBondContact O-CB 3.42Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 3.06Å
93	D	97.4	Very high	96.2	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-46.8	175	-74.8	-25.8	0	0	0	112.4	K78 D89 K91 I95 L96 V97	K78-D93 WeakPolarHBondContact CD-OD1 3.18Å; K78-D93 WeakPolarHBondContact CE-OD1 3.5Å; K78-D93 IonicContact NZ-OD1 3.48Å; K78-D93 PolarHBondContact NZ-OD1 3.16Å; K78-D93 IonicContact NZ-OD2 3.58Å; K78-D93 PolarHBondContact NZ-OD2 2.9Å; D89-D93 PolarHBondContact O-N 3.03Å; K91-D93 VanDerWaalsContact C-N 3.3Å; K91-D93 PolarHBondContact O-N 3.37Å; D93-I95 PolarHBondContact O-N 2.81Å; D93-L96 PolarHBondContact O-N 3.22Å; D93-V97 WeakPolarHBondContact O-CB 3.47Å; D93-V97 VanDerWaalsContact O-CG2 3.28Å; D93-V97 WeakPolarHBondContact O-CG2 3.47Å; D93-V97 PolarHBondContact O-N 3.41Å
94	K	97.1	Very high	95.9	Very high	96 Å²	96	57.2 Å²	57.2	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-47.4	176.9	-168.7	-172.7	177.4	-175.2	0	111.4	G53 I54 A90 K91 L96 V97 E98	G53-K94 PolarHBondContact O-NZ 3.49Å; I54-K94 HydrophobicContact CD1-CB 4.44Å; I54-K94 HydrophobicContact CD1-CD 3.86Å; I54-K94 HydrophobicContact CD1-CG 3.82Å; A90-K94 PolarHBondContact O-N 2.83Å; K91-K94 PolarHBondContact O-N 3.24Å; K94-L96 PolarHBondContact O-N 3.01Å; K94-V97 PolarHBondContact O-N 3.47Å; K94-E98 WeakPolarHBondContact O-CG 3.33Å; K94-E98 PolarHBondContact O-N 3Å
95	I	97.3	Very high	95.6	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-48.1	179.3	-71.7	162.1	0	0	0	110.6	I54 L62 V73 I87 K91 A92 D93 E98 A99	I54-I95 HydrophobicContact CD1-CG1 3.96Å; I54-I95 HydrophobicContact CG1-CG1 4.38Å; I54-I95 HydrophobicContact CG2-CD1 4.46Å; I54-I95 HydrophobicContact CG2-CG1 3.89Å; L62-I95 HydrophobicContact CD1-CD1 4.24Å; L62-I95 HydrophobicContact CD1-CG2 4.1Å; V73-I95 HydrophobicContact CG1-CG2 3.43Å; V73-I95 VanDerWaalsContact CG1-CG2 3.43Å; I87-I95 HydrophobicContact CD1-CD1 4.24Å; K91-I95 HydrophobicContact CB-CD1 4.47Å; K91-I95 WeakPolarHBondContact O-CB 3.46Å; K91-I95 WeakPolarHBondContact O-CD1 3.25Å; K91-I95 WeakPolarHBondContact O-CG1 3.33Å; K91-I95 PolarHBondContact O-N 3.42Å; A92-I95 PolarHBondContact O-N 3.37Å; D93-I95 PolarHBondContact O-N 2.81Å; I95-E98 PolarHBondContact O-N 3.4Å; I95-A99 VanDerWaalsContact O-CB 3.32Å; I95-A99 WeakPolarHBondContact O-CB 3.45Å; I95-A99 PolarHBondContact O-N 3.29Å
96	L	97	Very high	95.4	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-42	178.1	-76	169.5	0	0	0	112.4	K78 L81 A92 D93 K94 A99 S100	K78-L96 HydrophobicContact CB-CD1 3.72Å; K78-L96 HydrophobicContact CG-CD1 4.07Å; L81-L96 HydrophobicContact CD1-CD1 4.06Å; L81-L96 HydrophobicContact CD1-CD2 3.69Å; L81-L96 HydrophobicContact CD1-CG 3.72Å; A92-L96 WeakPolarHBondContact O-CB 3.42Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 3.06Å; D93-L96 PolarHBondContact O-N 3.22Å; K94-L96 PolarHBondContact O-N 3.01Å; L96-A99 PolarHBondContact O-N 2.64Å; L96-S100 VanDerWaalsContact O-CB 3.23Å; L96-S100 WeakPolarHBondContact O-CB 3.32Å; L96-S100 PolarHBondContact O-N 2.72Å; L96-S100 PolarHBondContact O-OG 3.46Å
97	V	96.4	Very high	95.4	Very high	80 Å²	80	62.8 Å²	62.8	49%	0.485	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-43.3	178.2	165.5	0	0	0	0	111.5	D93 K94 K101	D93-V97 WeakPolarHBondContact O-CB 3.47Å; D93-V97 VanDerWaalsContact O-CG2 3.28Å; D93-V97 WeakPolarHBondContact O-CG2 3.47Å; D93-V97 PolarHBondContact O-N 3.41Å; K94-V97 PolarHBondContact O-N 3.47Å; V97-K101 WeakPolarHBondContact O-CG 3.4Å
98	E	96.5	Very high	95.3	Very high	25 Å²	25	66 Å²	66	12%	0.117	37%	0.372	C	S	.	.	H	α-helix	trans	-71.8	-42.4	178	-59.7	-47.6	132.6	0	0	112.1	L49 F52 I54 K94 I95 S100 K101	L49-E98 HydrophobicContact CD2-CB 4.21Å; F52-E98 HydrophobicContact CB-CB 3.94Å; F52-E98 HydrophobicContact CB-CG 3.9Å; I54-E98 HydrophobicContact CD1-CG 4.17Å; K94-E98 WeakPolarHBondContact O-CG 3.33Å; K94-E98 PolarHBondContact O-N 3Å; I95-E98 PolarHBondContact O-N 3.4Å; E98-S100 VanDerWaalsContact C-N 3.3Å; E98-S100 PolarHBondContact O-N 2.95Å; E98-K101 PolarHBondContact O-N 2.91Å; E98-K101 IonicContact OE1-NZ 3.98Å; E98-K101 PolarHBondContact OE1-NZ 2.85Å; E98-K101 WeakPolarHBondContact OE2-CE 3.22Å; E98-K101 IonicContact OE2-NZ 3.44Å; E98-K101 PolarHBondContact OE2-NZ 3.14Å
99	A	96.3	Very high	95.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-60.5	-38.6	175.2	0	0	0	0	0	112.4	L49 V70 V73 A74 I95 L96 K101 L102 V103	L49-A99 HydrophobicContact CD2-CB 4.32Å; V70-A99 HydrophobicContact CG1-CB 3.75Å; V73-A99 HydrophobicContact CG1-CB 4.16Å; A74-A99 HydrophobicContact CB-CB 4.15Å; I95-A99 VanDerWaalsContact O-CB 3.32Å; I95-A99 WeakPolarHBondContact O-CB 3.45Å; I95-A99 PolarHBondContact O-N 3.29Å; L96-A99 PolarHBondContact O-N 2.64Å; A99-K101 PolarHBondContact O-N 3.35Å; A99-L102 PolarHBondContact O-N 3.21Å; A99-V103 PolarHBondContact O-N 3.46Å
100	S	94.1	Very high	95.2	Very high	54 Å²	54	66.4 Å²	66.4	38%	0.378	38%	0.384	S	S	.	.	H	α-helix	trans	-68.1	-17.5	179.6	-58.3	0	0	0	0	114.4	L96 E98 M105	L96-S100 VanDerWaalsContact O-CB 3.23Å; L96-S100 WeakPolarHBondContact O-CB 3.32Å; L96-S100 PolarHBondContact O-N 2.72Å; L96-S100 PolarHBondContact O-OG 3.46Å; E98-S100 VanDerWaalsContact C-N 3.3Å; E98-S100 PolarHBondContact O-N 2.95Å; S100-M105 WeakPolarHBondContact OG-CE 3.44Å
101	K	94	Very high	95.1	Very high	131 Å²	131	67.2 Å²	67.2	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-79.4	-23.9	172.7	-64.9	169.5	-161.4	172	0	112.2	V97 E98 A99	V97-K101 WeakPolarHBondContact O-CG 3.4Å; E98-K101 PolarHBondContact O-N 2.91Å; E98-K101 IonicContact OE1-NZ 3.98Å; E98-K101 PolarHBondContact OE1-NZ 2.85Å; E98-K101 WeakPolarHBondContact OE2-CE 3.22Å; E98-K101 IonicContact OE2-NZ 3.44Å; E98-K101 PolarHBondContact OE2-NZ 3.14Å; A99-K101 PolarHBondContact O-N 3.35Å
102	L	93.7	Very high	95	Very high	24 Å²	24	66.9 Å²	66.9	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-96.3	-22.3	-172.4	-65.7	169.7	0	0	0	113.1	K44 L49 F52 V70 A99	K44-L102 HydrophobicContact CD-CB 4.39Å; K44-L102 PolarHBondContact NZ-O 2.72Å; L49-L102 HydrophobicContact CD2-CD1 3.85Å; F52-L102 HydrophobicContact CD2-CD1 3.99Å; F52-L102 HydrophobicContact CE1-CD2 4.46Å; F52-L102 HydrophobicContact CE2-CD1 3.84Å; F52-L102 HydrophobicContact CE2-CD2 3.82Å; F52-L102 HydrophobicContact CE2-CG 4.33Å; F52-L102 HydrophobicContact CZ-CD1 4.47Å; F52-L102 HydrophobicContact CZ-CD2 3.71Å; F52-L102 HydrophobicContact CZ-CG 4.49Å; V70-L102 HydrophobicContact CG1-CB 4.02Å; V70-L102 HydrophobicContact CG1-CD1 3.94Å; V70-L102 HydrophobicContact CG2-CD1 4.44Å; A99-L102 PolarHBondContact O-N 3.21Å
103	V	92.2	Very high	94.8	Very high	7 Å²	7	72.4 Å²	72.4	4%	0.042	41%	0.411	C	S	.	.	S	Bend	trans	-114.6	123.7	-176.7	-177.1	0	0	0	0	109.2	V70 E71 A74 F75 A99 M105	V70-V103 HydrophobicContact CB-CG2 4.43Å; V70-V103 HydrophobicContact CG1-CG2 3.93Å; E71-V103 HydrophobicContact CG-CG1 4.32Å; E71-V103 HydrophobicContact CG-CG2 4.04Å; A74-V103 HydrophobicContact CB-CB 4.05Å; A74-V103 HydrophobicContact CB-CG1 4.34Å; A74-V103 HydrophobicContact CB-CG2 3.93Å; F75-V103 HydrophobicContact CE1-CG1 3.63Å; F75-V103 HydrophobicContact CZ-CG1 3.92Å; A99-V103 PolarHBondContact O-N 3.46Å; V103-M105 HydrophobicContact CB-CG 4.35Å; V103-M105 HydrophobicContact CG1-CG 3.95Å; V103-M105 PolarHBondContact O-N 2.89Å
104	P	90.5	Very high	94.6	Very high	115 Å²	115	75.7 Å²	75.7	75%	0.747	42%	0.424	S	S	*	.			trans	-75.2	85.2	-176	30.7	-35.3	0	0	0	111.9
105	M	90	Very high	94.5	Very high	92 Å²	92	76.7 Å²	76.7	45%	0.453	43%	0.43	S	S	.	.			trans	-95.6	5.5	-180	-58.9	-166.5	-61.4	0	0	114.6	A74 F75 S100 V103	A74-M105 HydrophobicContact CB-CE 4.19Å; A74-M105 HydrophobicContact CB-SD 3.8Å; F75-M105 HydrophobicContact CD1-SD 4.06Å; F75-M105 HydrophobicContact CE1-CG 4.29Å; F75-M105 HydrophobicContact CE1-SD 4.32Å; S100-M105 WeakPolarHBondContact OG-CE 3.44Å; V103-M105 HydrophobicContact CB-CG 4.35Å; V103-M105 HydrophobicContact CG1-CG 3.95Å; V103-M105 PolarHBondContact O-N 2.89Å
106	G	92.9	Very high	94.2	Very high	64 Å²	64	82 Å²	82	66%	0.66	45%	0.453	S	S	*	.	S	Bend	trans	-85	172.6	-178.3	0	0	0	0	0	114.1
107	F	95.4	Very high	94	Very high	225 Å²	225	85.3 Å²	85.3	99%	0.987	46%	0.463	S	S	*	.			trans	-64.7	141.6	168.4	-66.2	-85	0	0	0	111
108	T	94.1	Very high	93.8	Very high	80 Å²	80	85.6 Å²	85.6	49%	0.491	47%	0.469	S	S	.	.			trans	-134.1	169.3	173.9	-173.2	0	0	0	0	108.7	D112 F113	T108-D112 WeakPolarHBondContact OG1-CB 3.37Å; T108-D112 PolarHBondContact OG1-OD2 3.36Å; T108-F113 HydrophobicContact CG2-CB 4.36Å
109	T	96.2	Very high	93.6	Very high	73 Å²	73	90.1 Å²	90.1	45%	0.448	49%	0.49	S	S	.	.			trans	-76.1	154.5	178.7	78.5	0	0	0	0	110.9	S111 D112 F113	T109-S111 PolarHBondContact O-N 3.23Å; T109-S111 PolarHBondContact OG1-N 3.26Å; T109-D112 VanDerWaalsContact CB-OD2 3.31Å; T109-D112 WeakPolarHBondContact CB-OD2 3.31Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.37Å; T109-D112 PolarHBondContact N-OD2 3.39Å; T109-D112 VanDerWaalsContact N-OD2 3.11Å; T109-D112 PolarHBondContact O-N 3.2Å; T109-D112 PolarHBondContact OG1-N 2.95Å; T109-D112 VanDerWaalsContact OG1-N 3.14Å; T109-D112 PolarHBondContact OG1-OD1 3.42Å; T109-D112 PolarHBondContact OG1-OD2 3.25Å; T109-F113 PolarHBondContact O-N 3.05Å; T109-F113 VanDerWaalsContact O-N 3.07Å
110	A	96.2	Very high	93.4	Very high	83 Å²	83	92.5 Å²	92.5	69%	0.686	50%	0.502	S	S	*	.	H	α-helix	trans	-61.1	-28	174	0	0	0	0	0	112.2	H114	A110-H114 VanDerWaalsContact O-CB 3.27Å; A110-H114 WeakPolarHBondContact O-CB 3.34Å; A110-H114 PolarHBondContact O-N 3.16Å
111	S	96.7	Very high	93.5	Very high	90 Å²	90	92 Å²	92	63%	0.629	50%	0.495	S	S	*	.	H	α-helix	trans	-67.6	-48.5	175.1	-53.2	0	0	0	0	111.8	T109 F113 H114 Q115	T109-S111 PolarHBondContact O-N 3.23Å; T109-S111 PolarHBondContact OG1-N 3.26Å; S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 3.29Å; S111-H114 PolarHBondContact O-N 3.19Å; S111-Q115 PolarHBondContact O-N 3.4Å
112	D	94	Very high	93.7	Very high	68 Å²	68	89 Å²	89	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-40.5	178	-49.1	-41.9	0	0	0	110.8	T108 T109 Q115 K116	T108-D112 WeakPolarHBondContact OG1-CB 3.37Å; T108-D112 PolarHBondContact OG1-OD2 3.36Å; T109-D112 VanDerWaalsContact CB-OD2 3.31Å; T109-D112 WeakPolarHBondContact CB-OD2 3.31Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.37Å; T109-D112 PolarHBondContact N-OD2 3.39Å; T109-D112 VanDerWaalsContact N-OD2 3.11Å; T109-D112 PolarHBondContact O-N 3.2Å; T109-D112 PolarHBondContact OG1-N 2.95Å; T109-D112 VanDerWaalsContact OG1-N 3.14Å; T109-D112 PolarHBondContact OG1-OD1 3.42Å; T109-D112 PolarHBondContact OG1-OD2 3.25Å; D112-Q115 PolarHBondContact O-N 3.14Å; D112-K116 WeakPolarHBondContact O-CG 3.23Å; D112-K116 PolarHBondContact O-N 2.64Å; D112-K116 VanDerWaalsContact O-N 3.07Å
113	F	93.3	Very high	93.9	Very high	116 Å²	116	87.9 Å²	87.9	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-67.7	-38.5	176.2	-175.3	-109.8	0	0	0	112.4	T108 T109 S111 K116 R117	T108-F113 HydrophobicContact CG2-CB 4.36Å; T109-F113 PolarHBondContact O-N 3.05Å; T109-F113 VanDerWaalsContact O-N 3.07Å; S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 3.29Å; F113-K116 PolarHBondContact O-N 3.22Å; F113-R117 HydrophobicContact CD1-CG 4.45Å; F113-R117 VanDerWaalsContact CE1-CD 3.4Å; F113-R117 HydrophobicContact CE1-CG 4.05Å; F113-R117 HydrophobicContact CE2-CG 4.34Å; F113-R117 HydrophobicContact CZ-CG 3.98Å; F113-R117 WeakPolarHBondContact O-CB 3.26Å; F113-R117 WeakPolarHBondContact O-CG 3.45Å; F113-R117 PolarHBondContact O-N 3.13Å
114	H	93.9	Very high	94.2	Very high	135 Å²	135	88.3 Å²	88.3	63%	0.625	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-42.1	175	178.8	54.2	0	0	0	111.8	A110 S111 R117 S118	A110-H114 VanDerWaalsContact O-CB 3.27Å; A110-H114 WeakPolarHBondContact O-CB 3.34Å; A110-H114 PolarHBondContact O-N 3.16Å; S111-H114 PolarHBondContact O-N 3.19Å; H114-R117 PolarHBondContact O-N 3.04Å; H114-S118 PolarHBondContact O-N 3.42Å
115	Q	94.4	Very high	94.6	Very high	117 Å²	117	83 Å²	83	55%	0.547	45%	0.445	S	S	.	.	H	α-helix	trans	-59.1	-52	174.4	-177.2	177.5	-13.3	0	0	111	S111 D112 R117 S118 E119	S111-Q115 PolarHBondContact O-N 3.4Å; D112-Q115 PolarHBondContact O-N 3.14Å; Q115-R117 PolarHBondContact O-N 3.18Å; Q115-S118 WeakPolarHBondContact O-CA 3.47Å; Q115-S118 WeakPolarHBondContact O-CB 3.19Å; Q115-S118 PolarHBondContact O-N 2.63Å; Q115-S118 PolarHBondContact O-OG 2.92Å; Q115-E119 PolarHBondContact O-N 2.86Å
116	K	91.6	Very high	95	Very high	116 Å²	116	78.9 Å²	78.9	50%	0.504	43%	0.426	S	S	.	.	H	α-helix	trans	-56.8	-37.5	175.9	-71.4	177.3	179.2	-174.3	0	112.9	D112 F113 S118 E119	D112-K116 WeakPolarHBondContact O-CG 3.23Å; D112-K116 PolarHBondContact O-N 2.64Å; D112-K116 VanDerWaalsContact O-N 3.07Å; F113-K116 PolarHBondContact O-N 3.22Å; K116-S118 VanDerWaalsContact C-N 3.33Å; K116-E119 PolarHBondContact O-N 2.96Å
117	R	92.7	Very high	95.2	Very high	97 Å²	97	75.8 Å²	75.8	37%	0.366	40%	0.395	S	S	.	.	H	α-helix	trans	-70.7	-25	175.1	-78.2	-162.6	58	85	-0.2	113.9	F113 H114 Q115 E119 I120 E139	F113-R117 HydrophobicContact CD1-CG 4.45Å; F113-R117 VanDerWaalsContact CE1-CD 3.4Å; F113-R117 HydrophobicContact CE1-CG 4.05Å; F113-R117 HydrophobicContact CE2-CG 4.34Å; F113-R117 HydrophobicContact CZ-CG 3.98Å; F113-R117 WeakPolarHBondContact O-CB 3.26Å; F113-R117 WeakPolarHBondContact O-CG 3.45Å; F113-R117 PolarHBondContact O-N 3.13Å; H114-R117 PolarHBondContact O-N 3.04Å; Q115-R117 PolarHBondContact O-N 3.18Å; R117-E119 PolarHBondContact O-N 3.45Å; R117-I120 HydrophobicContact CB-CD1 4.16Å; R117-I120 HydrophobicContact CG-CD1 3.85Å; R117-I120 PolarHBondContact O-N 3.35Å; R117-E139 IonicContact CZ-OE1 2.75Å; R117-E139 VanDerWaalsContact CZ-OE1 3.27Å; R117-E139 IonicContact CZ-OE2 2.69Å; R117-E139 IonicContact NH1-OE1 3.41Å; R117-E139 PolarHBondContact NH1-OE1 3.28Å; R117-E139 IonicContact NH2-OE1 3.15Å; R117-E139 PolarHBondContact NH2-OE1 2.98Å; R117-E139 IonicContact NH2-OE2 2.86Å; R117-E139 PolarHBondContact NH2-OE2 2.96Å
118	S	91.3	Very high	95.3	Very high	86 Å²	86	72.8 Å²	72.8	60%	0.601	38%	0.381	S	S	*	.	H	α-helix	trans	-74.4	-14.8	173.9	73.7	0	0	0	0	113.7	H114 Q115 K116	H114-S118 PolarHBondContact O-N 3.42Å; Q115-S118 WeakPolarHBondContact O-CA 3.47Å; Q115-S118 WeakPolarHBondContact O-CB 3.19Å; Q115-S118 PolarHBondContact O-N 2.63Å; Q115-S118 PolarHBondContact O-OG 2.92Å; K116-S118 VanDerWaalsContact C-N 3.33Å
119	E	91.5	Very high	95.5	Very high	120 Å²	120	72.7 Å²	72.7	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	0.8	176.7	-64.3	161.7	-171.5	0	0	112.3	Q115 K116 R117 I121	Q115-E119 PolarHBondContact O-N 2.86Å; K116-E119 PolarHBondContact O-N 2.96Å; R117-E119 PolarHBondContact O-N 3.45Å; E119-I121 PolarHBondContact O-N 2.84Å
120	I	93.7	Very high	95.6	Very high	50 Å²	50	69.5 Å²	69.5	26%	0.256	36%	0.355	S	S	.	.			trans	-70.4	129.5	178.4	-69.6	174.4	0	0	0	110.6	R117 E139	R117-I120 HydrophobicContact CB-CD1 4.16Å; R117-I120 HydrophobicContact CG-CD1 3.85Å; R117-I120 PolarHBondContact O-N 3.35Å; I120-E139 HydrophobicContact CG2-CG 3.81Å
121	I	96.3	Very high	95.7	Very high	43 Å²	43	66.8 Å²	66.8	22%	0.221	33%	0.329	C	S	.	.			trans	-68.6	138.3	175.1	-63.5	174.5	0	0	0	110	E119 T140 V169 G173	E119-I121 PolarHBondContact O-N 2.84Å; I121-T140 HydrophobicContact CB-CG2 4.13Å; I121-T140 HydrophobicContact CG2-CG2 4.21Å; I121-T140 WeakPolarHBondContact O-CG2 3.45Å; I121-T140 PolarHBondContact O-N 3.37Å; I121-T140 VanDerWaalsContact O-N 3.1Å; I121-T140 PolarHBondContact O-OG1 2.88Å; I121-V169 HydrophobicContact CD1-CG2 4.21Å; I121-G173 WeakPolarHBondContact CG2-O 3.29Å
122	Q	97.4	Very high	95.8	Very high	68 Å²	68	68.9 Å²	68.9	32%	0.318	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.6	173	-65.4	179.7	-21.1	0	0	109.1	Q135 G136 I138	Q122-Q135 PolarHBondContact OE1-O 3.37Å; Q122-G136 VanDerWaalsContact OE1-CA 3.25Å; Q122-I138 WeakPolarHBondContact CA-O 3.34Å
123	I	98.6	Very high	95.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.4	-174.6	-58.9	168.9	0	0	0	109.6	G137 I138 T140 L161 C164 C165 G172 A238 L239 A283	I123-G137 CarbonylContact O-C 3.58Å; I123-G137 WeakPolarHBondContact O-CA 3.29Å; I123-I138 HydrophobicContact CB-CB 4.48Å; I123-I138 PolarHBondContact N-O 3.44Å; I123-I138 PolarHBondContact O-N 2.93Å; I123-T140 HydrophobicContact CD1-CG2 4.21Å; I123-T140 HydrophobicContact CG1-CG2 4.34Å; I123-L161 HydrophobicContact CG2-CD2 4.1Å; I123-C164 HydrophobicContact CG2-CB 4.03Å; I123-C165 HydrophobicContact CD1-CB 3.84Å; I123-C165 HydrophobicContact CG2-CB 4.16Å; I123-G172 CarbonylContact C-O 3.58Å; I123-G172 WeakPolarHBondContact CA-O 3.44Å; I123-A238 HydrophobicContact CD1-CB 4.39Å; I123-L239 HydrophobicContact CD1-CB 4.34Å; I123-A283 HydrophobicContact CD1-CB 3.81Å
124	T	98.6	Very high	96.2	Very high	16 Å²	16	61.2 Å²	61.2	10%	0.098	29%	0.291	C	S	.	.			trans	-57	136.3	175.8	176	0	0	0	0	111.7	G126 D131 L161 C164 L167 G172	T124-G126 PolarHBondContact O-N 3.36Å; T124-G126 PolarHBondContact OG1-N 3.06Å; T124-D131 WeakPolarHBondContact CB-OD2 3.41Å; T124-D131 PolarHBondContact OG1-OD2 3.07Å; T124-L161 WeakPolarHBondContact O-CD2 3.5Å; T124-C164 HydrophobicContact CG2-CB 3.92Å; T124-C164 WeakPolarHBondContact O-CB 2.94Å; T124-C164 PolarHBondContact O-SG 3.22Å; T124-L167 HydrophobicContact CG2-CD1 4.22Å; T124-G172 WeakPolarHBondContact CG2-O 3.45Å; T124-G172 PolarHBondContact N-O 2.75Å
125	T	98.5	Very high	96.3	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.025	29%	0.288	C	S	.	.			trans	-77.4	-9.7	173.1	64.8	0	0	0	0	113.3	S127 L130 D131 L134 I138	T125-S127 VanDerWaalsContact C-N 3.31Å; T125-S127 PolarHBondContact OG1-N 3.25Å; T125-S127 PolarHBondContact OG1-O 2.91Å; T125-L130 HydrophobicContact CG2-CB 4.17Å; T125-L130 WeakPolarHBondContact OG1-CB 3.22Å; T125-D131 VanDerWaalsContact CB-OD1 3.31Å; T125-D131 WeakPolarHBondContact CB-OD1 3.03Å; T125-D131 WeakPolarHBondContact CG2-OD1 3.35Å; T125-D131 PolarHBondContact N-OD1 2.98Å; T125-D131 PolarHBondContact OG1-OD1 2.88Å; T125-L134 HydrophobicContact CG2-CD1 3.72Å; T125-I138 HydrophobicContact CG2-CD1 4.4Å; T125-I138 HydrophobicContact CG2-CG1 4.32Å
126	G	97.6	Very high	96.4	Very high	5 Å²	5	56.5 Å²	56.5	5%	0.052	28%	0.278	C	S	.	.	S	Bend	trans	81.6	0.3	-170.6	0	0	0	0	0	114.6	T124 R198 I356	T124-G126 PolarHBondContact O-N 3.36Å; T124-G126 PolarHBondContact OG1-N 3.06Å; G126-R198 PolarHBondContact O-NH2 2.94Å; G126-I356 CarbonylContact C-O 3.39Å
127	S	98.1	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.			trans	-122	126.3	172.5	163.4	0	0	0	0	109.7	T125 E129 L130 D131 D358	T125-S127 VanDerWaalsContact C-N 3.31Å; T125-S127 PolarHBondContact OG1-N 3.25Å; T125-S127 PolarHBondContact OG1-O 2.91Å; S127-E129 VanDerWaalsContact C-N 3.28Å; S127-E129 PolarHBondContact O-N 2.91Å; S127-L130 PolarHBondContact O-N 2.93Å; S127-L130 PolarHBondContact OG-N 2.84Å; S127-D131 VanDerWaalsContact O-CG 3.22Å; S127-D131 PolarHBondContact O-N 3.27Å; S127-D358 WeakPolarHBondContact CA-OD1 3.35Å; S127-D358 WeakPolarHBondContact CB-OD1 3.46Å; S127-D358 PolarHBondContact OG-OD1 2.97Å
128	K	97.6	Very high	96.9	Very high	161 Å²	161	46.8 Å²	46.8	70%	0.7	24%	0.24	S	C	*	.	H	α-helix	trans	-62.3	-36.9	178.1	-62.4	179.2	-178.2	179.1	0	111.9	K132 D358	K128-K132 WeakPolarHBondContact O-CB 3.38Å; K128-K132 PolarHBondContact O-N 3.07Å; K128-D358 WeakPolarHBondContact CB-OD2 3.19Å; K128-D358 WeakPolarHBondContact CG-OD2 3.24Å; K128-D358 PolarHBondContact N-OD1 3.12Å; K128-D358 PolarHBondContact N-OD2 3.34Å
129	E	97.6	Very high	97.2	Very high	78 Å²	78	44.2 Å²	44.2	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-72.7	-31	178.2	-71.8	-61.1	126.6	0	0	112.6	S127 K132 L133 A347 D358	S127-E129 VanDerWaalsContact C-N 3.28Å; S127-E129 PolarHBondContact O-N 2.91Å; E129-K132 IonicContact OE1-NZ 2.78Å; E129-K132 PolarHBondContact OE1-NZ 3.36Å; E129-K132 IonicContact OE2-NZ 3.92Å; E129-K132 PolarHBondContact OE2-NZ 2.85Å; E129-L133 WeakPolarHBondContact O-CB 3.5Å; E129-L133 PolarHBondContact O-N 2.89Å; E129-A347 HydrophobicContact CB-CB 4.31Å; E129-A347 WeakPolarHBondContact O-CB 3.23Å; E129-D358 PolarHBondContact N-OD1 2.81Å
130	L	98.1	Very high	97.5	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-72.7	-42.8	169.3	-72.6	-177.9	0	0	0	112.3	T125 S127 K132 L133 L134 C334 F349 I356	T125-L130 HydrophobicContact CG2-CB 4.17Å; T125-L130 WeakPolarHBondContact OG1-CB 3.22Å; S127-L130 PolarHBondContact O-N 2.93Å; S127-L130 PolarHBondContact OG-N 2.84Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 2.77Å; L130-L133 HydrophobicContact CD2-CD2 4.39Å; L130-L133 WeakPolarHBondContact O-CB 3.42Å; L130-L133 PolarHBondContact O-N 3.27Å; L130-L133 VanDerWaalsContact O-N 3.15Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 2.92Å; L130-C334 HydrophobicContact CD2-CB 3.47Å; L130-C334 VanDerWaalsContact CD2-CB 3.47Å; L130-F349 HydrophobicContact CD1-CB 3.93Å; L130-F349 HydrophobicContact CD1-CD1 4.04Å; L130-F349 HydrophobicContact CD1-CD2 4.31Å; L130-F349 HydrophobicContact CD1-CG 3.85Å; L130-F349 HydrophobicContact CD2-CB 4.43Å; L130-F349 HydrophobicContact CD2-CD1 3.85Å; L130-F349 HydrophobicContact CD2-CE1 4.47Å; L130-F349 HydrophobicContact CD2-CG 4.37Å; L130-F349 HydrophobicContact CG-CB 3.96Å; L130-F349 HydrophobicContact CG-CD1 4.21Å; L130-F349 HydrophobicContact CG-CG 4.22Å; L130-I356 HydrophobicContact CD1-CG2 3.86Å
131	D	98.2	Very high	97.6	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.144	20%	0.198	C	C	.	.	H	α-helix	trans	-64.4	-39.1	178.8	-65.6	-12.4	0	0	0	110.7	T124 T125 S127 L134 Q135 G136	T124-D131 WeakPolarHBondContact CB-OD2 3.41Å; T124-D131 PolarHBondContact OG1-OD2 3.07Å; T125-D131 VanDerWaalsContact CB-OD1 3.31Å; T125-D131 WeakPolarHBondContact CB-OD1 3.03Å; T125-D131 WeakPolarHBondContact CG2-OD1 3.35Å; T125-D131 PolarHBondContact N-OD1 2.98Å; T125-D131 PolarHBondContact OG1-OD1 2.88Å; S127-D131 VanDerWaalsContact O-CG 3.22Å; S127-D131 PolarHBondContact O-N 3.27Å; D131-L134 CarbonylContact O-C 3.58Å; D131-L134 PolarHBondContact O-N 3.14Å; D131-Q135 CarbonylContact O-C 3.43Å; D131-Q135 PolarHBondContact O-N 2.99Å; D131-G136 PolarHBondContact O-N 2.9Å
132	K	97.8	Very high	97.6	Very high	134 Å²	134	36.2 Å²	36.2	58%	0.583	19%	0.188	S	C	*	.	H	α-helix	trans	-63	-40.5	170.9	175.5	-175.9	168	-156.9	0	113	K128 E129 L130 L134 Q135	K128-K132 WeakPolarHBondContact O-CB 3.38Å; K128-K132 PolarHBondContact O-N 3.07Å; E129-K132 IonicContact OE1-NZ 2.78Å; E129-K132 PolarHBondContact OE1-NZ 3.36Å; E129-K132 IonicContact OE2-NZ 3.92Å; E129-K132 PolarHBondContact OE2-NZ 2.85Å; L130-K132 VanDerWaalsContact C-N 3.3Å; L130-K132 PolarHBondContact O-N 2.77Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 2.98Å; K132-Q135 PolarHBondContact O-N 3.15Å
133	L	97.9	Very high	97.7	Very high	13 Å²	13	33 Å²	33	7%	0.068	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-42.7	173.1	-177	71.5	0	0	0	110.7	E129 L130 C334 I336 S345 A347	E129-L133 WeakPolarHBondContact O-CB 3.5Å; E129-L133 PolarHBondContact O-N 2.89Å; L130-L133 HydrophobicContact CD2-CD2 4.39Å; L130-L133 WeakPolarHBondContact O-CB 3.42Å; L130-L133 PolarHBondContact O-N 3.27Å; L130-L133 VanDerWaalsContact O-N 3.15Å; L133-C334 HydrophobicContact CD2-CB 4.13Å; L133-I336 HydrophobicContact CD1-CD1 4.18Å; L133-I336 HydrophobicContact CD1-CG1 4.11Å; L133-I336 HydrophobicContact CD2-CG1 4.12Å; L133-I336 HydrophobicContact CG-CD1 3.97Å; L133-I336 HydrophobicContact CG-CG1 3.9Å; L133-I336 WeakPolarHBondContact O-CD1 3.48Å; L133-S345 WeakPolarHBondContact CD1-OG 3.4Å; L133-A347 HydrophobicContact CB-CB 3.95Å; L133-A347 HydrophobicContact CD1-CB 4.24Å; L133-A347 HydrophobicContact CD2-CB 3.97Å; L133-A347 HydrophobicContact CG-CB 4.27Å
134	L	97.8	Very high	97.7	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.2	-177.8	-59.9	174.5	0	0	0	114.4	T125 L130 D131 K132 G136 G137 I138 L322 L342	T125-L134 HydrophobicContact CG2-CD1 3.72Å; L130-L134 VanDerWaalsContact O-CG 3.3Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 2.92Å; D131-L134 CarbonylContact O-C 3.58Å; D131-L134 PolarHBondContact O-N 3.14Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 2.98Å; L134-G136 PolarHBondContact O-N 3.42Å; L134-G137 WeakPolarHBondContact CB-O 3.34Å; L134-I138 HydrophobicContact CD1-CD1 3.88Å; L134-L322 HydrophobicContact CD1-CD1 4.43Å; L134-L322 HydrophobicContact CD2-CD1 3.98Å; L134-L322 HydrophobicContact CD2-CD2 3.73Å; L134-L322 HydrophobicContact CD2-CG 4.49Å; L134-L342 HydrophobicContact CD2-CD1 4.14Å
135	Q	96.6	Very high	97.7	Very high	121 Å²	121	32.4 Å²	32.4	57%	0.565	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	28.9	-175.1	-59	177.9	19.9	0	0	115	Q122 D131 K132 L342	Q122-Q135 PolarHBondContact OE1-O 3.37Å; D131-Q135 CarbonylContact O-C 3.43Å; D131-Q135 PolarHBondContact O-N 2.99Å; K132-Q135 PolarHBondContact O-N 3.15Å; Q135-L342 HydrophobicContact CB-CD2 3.93Å; Q135-L342 VanDerWaalsContact CD-CD2 3.47Å; Q135-L342 HydrophobicContact CG-CD2 3.65Å
136	G	95.9	Very high	97.7	Very high	32 Å²	32	32.3 Å²	32.3	33%	0.33	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	146.4	-28.8	168.6	0	0	0	0	0	113.8	Q122 D131 L134	Q122-G136 VanDerWaalsContact OE1-CA 3.25Å; D131-G136 PolarHBondContact O-N 2.9Å; L134-G136 PolarHBondContact O-N 3.42Å
137	G	97.8	Very high	97.7	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	151.7	-153.6	175.4	0	0	0	0	0	113.5	I123 L134 E139	I123-G137 CarbonylContact O-C 3.58Å; I123-G137 WeakPolarHBondContact O-CA 3.29Å; L134-G137 WeakPolarHBondContact CB-O 3.34Å; G137-E139 PolarHBondContact O-N 3.42Å
138	I	98.4	Very high	97.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	113.7	175.4	-54.6	-65.8	0	0	0	109.4	Q122 I123 T125 L134 T144 L161 A283 V285	Q122-I138 WeakPolarHBondContact CA-O 3.34Å; I123-I138 HydrophobicContact CB-CB 4.48Å; I123-I138 PolarHBondContact N-O 3.44Å; I123-I138 PolarHBondContact O-N 2.93Å; T125-I138 HydrophobicContact CG2-CD1 4.4Å; T125-I138 HydrophobicContact CG2-CG1 4.32Å; L134-I138 HydrophobicContact CD1-CD1 3.88Å; I138-T144 HydrophobicContact CD1-CG2 4.1Å; I138-L161 HydrophobicContact CD1-CD1 4.45Å; I138-L161 HydrophobicContact CG1-CD1 3.97Å; I138-L161 HydrophobicContact CG1-CD2 3.82Å; I138-A283 HydrophobicContact CG2-CB 3.98Å; I138-V285 HydrophobicContact CG2-CG2 3.74Å
139	E	97.5	Very high	97.4	Very high	31 Å²	31	27.4 Å²	27.4	15%	0.145	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.4	179.2	-177.2	177.2	129.6	0	0	112.2	R117 I120 G137 S142	R117-E139 IonicContact CZ-OE1 2.75Å; R117-E139 VanDerWaalsContact CZ-OE1 3.27Å; R117-E139 IonicContact CZ-OE2 2.69Å; R117-E139 IonicContact NH1-OE1 3.41Å; R117-E139 PolarHBondContact NH1-OE1 3.28Å; R117-E139 IonicContact NH2-OE1 3.15Å; R117-E139 PolarHBondContact NH2-OE1 2.98Å; R117-E139 IonicContact NH2-OE2 2.86Å; R117-E139 PolarHBondContact NH2-OE2 2.96Å; I120-E139 HydrophobicContact CG2-CG 3.81Å; G137-E139 PolarHBondContact O-N 3.42Å; E139-S142 PolarHBondContact O-OG 3.46Å
140	T	97.6	Very high	97.2	Very high	15 Å²	15	31 Å²	31	9%	0.092	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	159	172	70.9	0	0	0	0	112.4	I121 I123 S142 G281 A283	I121-T140 HydrophobicContact CB-CG2 4.13Å; I121-T140 HydrophobicContact CG2-CG2 4.21Å; I121-T140 WeakPolarHBondContact O-CG2 3.45Å; I121-T140 PolarHBondContact O-N 3.37Å; I121-T140 VanDerWaalsContact O-N 3.1Å; I121-T140 PolarHBondContact O-OG1 2.88Å; I123-T140 HydrophobicContact CD1-CG2 4.21Å; I123-T140 HydrophobicContact CG1-CG2 4.34Å; T140-S142 PolarHBondContact O-N 3.34Å; T140-G281 VanDerWaalsContact CB-O 3.23Å; T140-G281 WeakPolarHBondContact CB-O 3.49Å; T140-G281 PolarHBondContact OG1-O 2.93Å; T140-A283 HydrophobicContact CG2-CB 3.93Å
141	G	96.1	Very high	97	Very high	28 Å²	28	39.9 Å²	39.9	29%	0.289	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	18.4	-173.3	0	0	0	0	0	113.6	V282	G141-V282 PolarHBondContact N-O 3.08Å
142	S	96.7	Very high	96.9	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.021	19%	0.188	C	C	.	.	S	Bend	trans	-142	163.2	-177.9	85.1	0	0	0	0	112.4	E139 T140 V284	E139-S142 PolarHBondContact O-OG 3.46Å; T140-S142 PolarHBondContact O-N 3.34Å; S142-V284 PolarHBondContact O-N 3.29Å
143	I	98.4	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.7	170.9	-60.6	-179.3	0	0	0	109.4	L273 L274 V284 I286 T319 T320	I143-L273 HydrophobicContact CD1-CB 3.94Å; I143-L274 HydrophobicContact CD1-CB 4Å; I143-V284 WeakPolarHBondContact CA-O 3.37Å; I143-V284 HydrophobicContact CG1-CB 4.13Å; I143-V284 HydrophobicContact CG1-CG1 4.19Å; I143-I286 HydrophobicContact CG2-CD1 3.74Å; I143-I286 HydrophobicContact CG2-CG1 4.04Å; I143-I286 HydrophobicContact CG2-CG2 4.44Å; I143-T319 PolarHBondContact N-OG1 3.03Å; I143-T319 WeakPolarHBondContact O-CB 3.27Å; I143-T319 PolarHBondContact O-N 3.25Å; I143-T320 PolarHBondContact O-N 2.94Å
144	T	98.6	Very high	96.9	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.4	169.2	-62.7	0	0	0	0	110.6	I138 V146 V284 V285 I286 T320 L322	I138-T144 HydrophobicContact CD1-CG2 4.1Å; T144-V146 HydrophobicContact CG2-CG2 4.4Å; T144-V284 PolarHBondContact N-O 3.32Å; T144-V285 WeakPolarHBondContact O-CA 3.45Å; T144-I286 PolarHBondContact O-N 3.29Å; T144-T320 CarbonylContact C-O 3.5Å; T144-T320 WeakPolarHBondContact CA-O 3.47Å; T144-L322 HydrophobicContact CG2-CD1 3.92Å; T144-L322 HydrophobicContact CG2-CG 4.14Å
145	E	98.6	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.5	174.3	-177.4	-169.3	171.3	0	0	110.7	F147 I286 N288 M314 S318 T320 R321 L322	E145-F147 HydrophobicContact CG-CB 4.46Å; E145-F147 HydrophobicContact CG-CD1 4.43Å; E145-I286 CarbonylContact C-O 3.57Å; E145-I286 WeakPolarHBondContact CA-O 3.13Å; E145-I286 HydrophobicContact CB-CD1 4.25Å; E145-I286 HydrophobicContact CB-CG1 3.96Å; E145-I286 HydrophobicContact CG-CD1 4.42Å; E145-I286 HydrophobicContact CG-CG1 4.18Å; E145-N288 HydrophobicContact CG-CB 4.08Å; E145-N288 WeakPolarHBondContact OE1-CB 3.4Å; E145-N288 PolarHBondContact OE1-ND2 3.36Å; E145-M314 WeakPolarHBondContact OE2-CG 3.01Å; E145-S318 PolarHBondContact OE2-OG 3.39Å; E145-T320 PolarHBondContact N-O 3.48Å; E145-R321 HydrophobicContact CB-CG 4.42Å; E145-R321 CarbonylContact O-C 3.49Å; E145-R321 WeakPolarHBondContact O-CA 3.48Å; E145-R321 IonicContact OE1-NH2 3.6Å; E145-R321 PolarHBondContact OE1-NH2 3.13Å; E145-R321 IonicContact OE2-CZ 3.57Å; E145-R321 IonicContact OE2-NE 3.9Å; E145-R321 PolarHBondContact OE2-NE 3.38Å; E145-R321 IonicContact OE2-NH2 2.66Å; E145-R321 PolarHBondContact OE2-NH2 3.18Å; E145-L322 PolarHBondContact O-N 3.43Å
146	V	98.4	Very high	97	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.7	173.3	-172	0	0	0	0	109.4	T144 K154 I157 V285 I286 T287 N288 L322 L324	T144-V146 HydrophobicContact CG2-CG2 4.4Å; V146-K154 HydrophobicContact CG1-CG 4.24Å; V146-K154 WeakPolarHBondContact O-CD 3.46Å; V146-I157 HydrophobicContact CG1-CD1 4.23Å; V146-V285 HydrophobicContact CG2-CG1 4.09Å; V146-I286 PolarHBondContact N-O 3.06Å; V146-T287 VanDerWaalsContact O-CA 3.31Å; V146-T287 WeakPolarHBondContact O-CA 3.42Å; V146-N288 PolarHBondContact O-N 2.75Å; V146-L322 HydrophobicContact CG2-CD1 4.39Å; V146-L324 HydrophobicContact CG1-CD1 3.59Å; V146-L324 HydrophobicContact CG1-CD2 4.27Å; V146-L324 HydrophobicContact CG1-CG 3.82Å
147	F	97.7	Very high	97.1	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.6	-174.2	77.8	-93.7	0	0	0	114	E145 N288 V290 P308 R321 L322 Y323 L324 Y337	E145-F147 HydrophobicContact CG-CB 4.46Å; E145-F147 HydrophobicContact CG-CD1 4.43Å; F147-N288 WeakPolarHBondContact CA-O 3.31Å; F147-N288 HydrophobicContact CB-CB 3.86Å; F147-V290 HydrophobicContact CD2-CG1 3.74Å; F147-V290 HydrophobicContact CE2-CG1 4.34Å; F147-P308 HydrophobicContact CB-CB 4.29Å; F147-P308 HydrophobicContact CD1-CB 4.42Å; F147-P308 HydrophobicContact CD2-CB 3.83Å; F147-P308 HydrophobicContact CD2-CG 4.22Å; F147-P308 HydrophobicContact CE1-CG 4.48Å; F147-P308 HydrophobicContact CE2-CB 4.17Å; F147-P308 HydrophobicContact CE2-CG 4.05Å; F147-P308 HydrophobicContact CG-CB 3.95Å; F147-P308 HydrophobicContact CZ-CG 4.17Å; F147-R321 HydrophobicContact CE1-CB 4.34Å; F147-L322 WeakPolarHBondContact CD1-O 3.41Å; F147-L322 PolarHBondContact N-O 2.81Å; F147-Y323 AromaticContact CD2-CD2 3.72Å; F147-Y323 HydrophobicContact CD2-CD2 3.72Å; F147-Y323 HydrophobicContact CD2-CE2 4.4Å; F147-Y323 HydrophobicContact CD2-CG 4.42Å; F147-Y323 AromaticContact CE2-CD2 3.39Å; F147-Y323 HydrophobicContact CE2-CD2 3.39Å; F147-Y323 HydrophobicContact CE2-CE2 4.12Å; F147-Y323 AromaticContact CE2-CG 3.72Å; F147-Y323 HydrophobicContact CE2-CG 3.72Å; F147-Y323 HydrophobicContact CZ-CD2 4.07Å; F147-Y323 AromaticContact CZ-CG 3.95Å; F147-Y323 HydrophobicContact CZ-CG 3.95Å; F147-L324 PolarHBondContact O-N 3.26Å; F147-Y337 HydrophobicContact CE1-CD1 4.12Å; F147-Y337 HydrophobicContact CE1-CD2 4.33Å; F147-Y337 AromaticContact CE1-CG 3.85Å; F147-Y337 HydrophobicContact CE1-CG 3.85Å; F147-Y337 HydrophobicContact CZ-CD1 4.01Å; F147-Y337 AromaticContact CZ-CD2 3.61Å; F147-Y337 HydrophobicContact CZ-CD2 3.61Å; F147-Y337 HydrophobicContact CZ-CE1 4.42Å; F147-Y337 HydrophobicContact CZ-CE2 4.03Å; F147-Y337 AromaticContact CZ-CG 3.58Å; F147-Y337 HydrophobicContact CZ-CG 3.58Å
148	G	96.4	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.9	-178.7	177.8	0	0	0	0	0	112.8	K154 N288	G148-K154 PolarHBondContact O-NZ 3.48Å; G148-N288 PolarHBondContact N-O 3.3Å
149	E	94	Very high	97.1	Very high	59 Å²	59	29.1 Å²	29.1	28%	0.276	14%	0.139	S	C	.	.	S	Bend	trans	-63.7	175.4	179.2	-61.7	-170.5	114.9	0	0	113.7	T152 K154 V290 K306 K326	E149-T152 HydrophobicContact CB-CG2 3.87Å; E149-T152 WeakPolarHBondContact O-CG2 3.31Å; E149-T152 PolarHBondContact O-OG1 2.96Å; E149-K154 PolarHBondContact O-NZ 3.1Å; E149-V290 HydrophobicContact CB-CG2 4.45Å; E149-V290 HydrophobicContact CG-CG2 3.81Å; E149-K306 HydrophobicContact CG-CD 3.83Å; E149-K306 WeakPolarHBondContact OE1-CE 3.24Å; E149-K326 IonicContact OE2-NZ 2.77Å
150	F	92.5	Very high	97.2	Very high	155 Å²	155	27.7 Å²	27.7	68%	0.68	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	148.3	165.7	71.3	-83.5	0	0	0	110.9	T152 K326	F150-T152 PolarHBondContact O-N 3.43Å; F150-K326 WeakPolarHBondContact O-CE 3.31Å; F150-K326 PolarHBondContact O-NZ 2.62Å
151	R	94.3	Very high	97.2	Very high	192 Å²	192	27 Å²	27	73%	0.725	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	11.6	177.6	-167.7	173.6	171.5	-175.2	-1	115.7	R332	R151-R332 PolarHBondContact O-NE 3.14Å; R151-R332 PolarHBondContact O-NH2 2.98Å
152	T	96.8	Very high	97.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	12%	0.115	C	C	.	.	S	Bend	trans	-77.8	-16	176.4	58.6	0	0	0	0	114.9	E149 F150 L324 K326 R332	E149-T152 HydrophobicContact CB-CG2 3.87Å; E149-T152 WeakPolarHBondContact O-CG2 3.31Å; E149-T152 PolarHBondContact O-OG1 2.96Å; F150-T152 PolarHBondContact O-N 3.43Å; T152-L324 WeakPolarHBondContact CG2-O 3.44Å; T152-K326 HydrophobicContact CG2-CG 4.24Å; T152-R332 VanDerWaalsContact O-CD 3.31Å; T152-R332 WeakPolarHBondContact O-CD 3.42Å; T152-R332 WeakPolarHBondContact O-CG 3.3Å
153	G	96.7	Very high	97.5	Very high	9 Å²	9	25.5 Å²	25.5	9%	0.093	11%	0.114	C	C	.	.	S	Bend	trans	117	-3.2	173.6	0	0	0	0	0	116.6	T155 Q156 I157	G153-T155 PolarHBondContact O-N 3.49Å; G153-Q156 WeakPolarHBondContact O-CA 3.41Å; G153-Q156 WeakPolarHBondContact O-CB 3.39Å; G153-Q156 PolarHBondContact O-N 3.25Å; G153-I157 PolarHBondContact O-N 3.01Å
154	K	98	Very high	97.5	Very high	22 Å²	22	25.5 Å²	25.5	10%	0.096	11%	0.114	C	C	.	.	H	α-helix	trans	-41.1	-62.1	-176.9	-57.2	-170	-64.5	-80.1	0	114.5	V146 G148 E149 Q156 I157 C158 T287 N288 L324	V146-K154 HydrophobicContact CG1-CG 4.24Å; V146-K154 WeakPolarHBondContact O-CD 3.46Å; G148-K154 PolarHBondContact O-NZ 3.48Å; E149-K154 PolarHBondContact O-NZ 3.1Å; K154-Q156 VanDerWaalsContact C-N 3.27Å; K154-Q156 PolarHBondContact O-N 3.29Å; K154-I157 WeakPolarHBondContact O-CB 3.16Å; K154-I157 PolarHBondContact O-N 3.48Å; K154-C158 PolarHBondContact O-N 2.99Å; K154-C158 PolarHBondContact O-SG 3.13Å; K154-T287 HydrophobicContact CB-CG2 4.21Å; K154-N288 WeakPolarHBondContact CD-O 3.31Å; K154-N288 WeakPolarHBondContact CE-O 3.38Å; K154-L324 HydrophobicContact CG-CD1 3.83Å
155	T	97.9	Very high	97.5	Very high	29 Å²	29	25.3 Å²	25.3	18%	0.178	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-29.7	177.5	-49.5	0	0	0	0	113.5	G153 C158 H159 D243	G153-T155 PolarHBondContact O-N 3.49Å; T155-C158 PolarHBondContact O-N 3.48Å; T155-H159 WeakPolarHBondContact O-CB 3.4Å; T155-H159 VanDerWaalsContact O-CG 3.24Å; T155-H159 PolarHBondContact O-N 3.13Å; T155-D243 WeakPolarHBondContact CA-OD2 3.23Å; T155-D243 WeakPolarHBondContact CB-OD2 3.34Å; T155-D243 WeakPolarHBondContact CG2-OD2 3.46Å; T155-D243 PolarHBondContact OG1-OD2 3.47Å
156	Q	98	Very high	97.5	Very high	44 Å²	44	26.6 Å²	26.6	21%	0.206	12%	0.118	C	C	.	.	H	α-helix	trans	-74.2	-35.7	177.7	-57.1	-60	-79.8	0	0	112	G153 K154 T160 I351 I356	G153-Q156 WeakPolarHBondContact O-CA 3.41Å; G153-Q156 WeakPolarHBondContact O-CB 3.39Å; G153-Q156 PolarHBondContact O-N 3.25Å; K154-Q156 VanDerWaalsContact C-N 3.27Å; K154-Q156 PolarHBondContact O-N 3.29Å; Q156-T160 PolarHBondContact O-N 3.11Å; Q156-T160 PolarHBondContact O-OG1 2.9Å; Q156-I351 HydrophobicContact CB-CG2 4.23Å; Q156-I351 HydrophobicContact CG-CD1 4.49Å; Q156-I351 HydrophobicContact CG-CG2 3.9Å; Q156-I356 HydrophobicContact CB-CD1 3.89Å
157	I	98.4	Very high	97.5	Very high	11 Å²	11	26.5 Å²	26.5	6%	0.056	12%	0.118	C	C	.	.	H	α-helix	trans	-61	-48.7	167.8	-65.6	167.4	0	0	0	109.2	V146 G153 K154 H159 T160 L161 L324 F349 I356	V146-I157 HydrophobicContact CG1-CD1 4.23Å; G153-I157 PolarHBondContact O-N 3.01Å; K154-I157 WeakPolarHBondContact O-CB 3.16Å; K154-I157 PolarHBondContact O-N 3.48Å; I157-H159 PolarHBondContact O-N 3.03Å; I157-T160 PolarHBondContact O-N 3.1Å; I157-T160 VanDerWaalsContact O-N 3.07Å; I157-L161 HydrophobicContact CG2-CD1 3.67Å; I157-L161 HydrophobicContact CG2-CG 4.16Å; I157-L161 WeakPolarHBondContact O-CB 3.5Å; I157-L161 WeakPolarHBondContact O-CG 3.37Å; I157-L161 PolarHBondContact O-N 2.98Å; I157-L324 HydrophobicContact CD1-CD1 3.63Å; I157-L324 HydrophobicContact CD1-CD2 4.11Å; I157-L324 HydrophobicContact CD1-CG 4.5Å; I157-F349 HydrophobicContact CD1-CE2 4.3Å; I157-F349 HydrophobicContact CD1-CZ 4Å; I157-F349 HydrophobicContact CG1-CE2 4.39Å; I157-I356 HydrophobicContact CB-CG1 4.35Å; I157-I356 HydrophobicContact CG1-CD1 4.06Å; I157-I356 HydrophobicContact CG1-CG1 3.78Å
158	C	98.7	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-41.9	179.5	-63.5	0	0	0	0	113.3	K154 T155 A162 Y180 V241 T287	K154-C158 PolarHBondContact O-N 2.99Å; K154-C158 PolarHBondContact O-SG 3.13Å; T155-C158 PolarHBondContact O-N 3.48Å; C158-A162 WeakPolarHBondContact O-CB 3.27Å; C158-A162 PolarHBondContact O-N 3.34Å; C158-Y180 HydrophobicContact CB-CE2 3.92Å; C158-Y180 WeakPolarHBondContact CB-OH 3.42Å; C158-V241 HydrophobicContact CB-CG1 3.86Å; C158-T287 WeakPolarHBondContact SG-CG2 3.38Å
159	H	98.6	Very high	97.4	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-40.4	172.5	-72.5	172.1	0	0	0	112.3	T155 I157 F187 R191 L192	T155-H159 WeakPolarHBondContact O-CB 3.4Å; T155-H159 VanDerWaalsContact O-CG 3.24Å; T155-H159 PolarHBondContact O-N 3.13Å; I157-H159 PolarHBondContact O-N 3.03Å; H159-F187 AromaticContact CD2-CD2 3.86Å; H159-F187 AromaticContact NE2-CD2 3.62Å; H159-R191 WeakPolarHBondContact ND1-CB 3.47Å; H159-L192 HydrophobicContact CB-CD2 3.72Å; H159-L192 VanDerWaalsContact O-CD2 3.22Å; H159-L192 WeakPolarHBondContact O-CD2 3.37Å
160	T	98.7	Very high	97.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-45.8	179.2	-52.8	0	0	0	0	110.6	Q156 I157 A162 V163 C164 V195 I356	Q156-T160 PolarHBondContact O-N 3.11Å; Q156-T160 PolarHBondContact O-OG1 2.9Å; I157-T160 PolarHBondContact O-N 3.1Å; I157-T160 VanDerWaalsContact O-N 3.07Å; T160-A162 VanDerWaalsContact C-N 3.32Å; T160-A162 PolarHBondContact O-N 3.34Å; T160-V163 PolarHBondContact O-N 3.44Å; T160-V163 VanDerWaalsContact O-N 3.07Å; T160-C164 PolarHBondContact O-N 2.77Å; T160-C164 PolarHBondContact O-SG 2.81Å; T160-C164 VanDerWaalsContact O-SG 3.33Å; T160-V195 HydrophobicContact CG2-CG1 4.02Å; T160-I356 HydrophobicContact CG2-CB 4.19Å; T160-I356 PolarHBondContact OG1-N 2.9Å
161	L	98.8	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-35.8	177.3	-70.1	172.7	0	0	0	113.2	I123 T124 I138 I157 V163 C164 C165 L239 V285	I123-L161 HydrophobicContact CG2-CD2 4.1Å; T124-L161 WeakPolarHBondContact O-CD2 3.5Å; I138-L161 HydrophobicContact CD1-CD1 4.45Å; I138-L161 HydrophobicContact CG1-CD1 3.97Å; I138-L161 HydrophobicContact CG1-CD2 3.82Å; I157-L161 HydrophobicContact CG2-CD1 3.67Å; I157-L161 HydrophobicContact CG2-CG 4.16Å; I157-L161 WeakPolarHBondContact O-CB 3.5Å; I157-L161 WeakPolarHBondContact O-CG 3.37Å; I157-L161 PolarHBondContact O-N 2.98Å; L161-V163 PolarHBondContact O-N 2.97Å; L161-C164 PolarHBondContact O-N 3.46Å; L161-C165 WeakPolarHBondContact O-CB 3.4Å; L161-C165 PolarHBondContact O-N 2.86Å; L161-L239 VanDerWaalsContact C-CD2 3.46Å; L161-L239 HydrophobicContact CB-CD2 3.66Å; L161-L239 WeakPolarHBondContact O-CD2 3.34Å; L161-V285 HydrophobicContact CD1-CG1 4.39Å; L161-V285 HydrophobicContact CD1-CG2 4.12Å
162	A	98.7	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-17	175.8	0	0	0	0	0	114.1	C158 T160 Q166 C178 Y180 V210	C158-A162 WeakPolarHBondContact O-CB 3.27Å; C158-A162 PolarHBondContact O-N 3.34Å; T160-A162 VanDerWaalsContact C-N 3.32Å; T160-A162 PolarHBondContact O-N 3.34Å; A162-Q166 PolarHBondContact O-NE2 3.49Å; A162-C178 HydrophobicContact CB-CB 4.25Å; A162-Y180 HydrophobicContact CB-CD2 4.47Å; A162-V210 HydrophobicContact CB-CG2 4.5Å
163	V	98.7	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-98	-46.9	169.8	-176	0	0	0	0	110.6	T160 L161 C165 Q166 L192 V195 A196 L201 V206	T160-V163 PolarHBondContact O-N 3.44Å; T160-V163 VanDerWaalsContact O-N 3.07Å; L161-V163 PolarHBondContact O-N 2.97Å; V163-C165 PolarHBondContact O-N 2.85Å; V163-Q166 WeakPolarHBondContact O-CB 3.38Å; V163-Q166 PolarHBondContact O-N 3.07Å; V163-L192 HydrophobicContact CG2-CB 3.93Å; V163-L192 HydrophobicContact CG2-CD2 4.21Å; V163-L192 HydrophobicContact CG2-CG 4.5Å; V163-V195 HydrophobicContact CB-CB 4.24Å; V163-V195 HydrophobicContact CB-CG1 3.8Å; V163-V195 HydrophobicContact CG1-CB 4.36Å; V163-V195 HydrophobicContact CG1-CG1 3.99Å; V163-V195 HydrophobicContact CG2-CB 4.03Å; V163-V195 HydrophobicContact CG2-CG1 4.13Å; V163-A196 HydrophobicContact CG1-CB 4.38Å; V163-L201 HydrophobicContact CG1-CD1 3.9Å; V163-V206 HydrophobicContact CB-CG1 4.36Å; V163-V206 HydrophobicContact CG1-CG1 4.02Å; V163-V206 HydrophobicContact CG1-CG2 4.43Å; V163-V206 HydrophobicContact CG2-CG1 3.77Å
164	C	98.6	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-34.1	-179.3	-64.2	0	0	0	0	113.5	I123 T124 T160 L161 Q166 L167 G173	I123-C164 HydrophobicContact CG2-CB 4.03Å; T124-C164 HydrophobicContact CG2-CB 3.92Å; T124-C164 WeakPolarHBondContact O-CB 2.94Å; T124-C164 PolarHBondContact O-SG 3.22Å; T160-C164 PolarHBondContact O-N 2.77Å; T160-C164 PolarHBondContact O-SG 2.81Å; T160-C164 VanDerWaalsContact O-SG 3.33Å; L161-C164 PolarHBondContact O-N 3.46Å; C164-Q166 PolarHBondContact O-N 3.09Å; C164-Q166 VanDerWaalsContact O-N 3.16Å; C164-L167 HydrophobicContact CB-CD1 4.3Å; C164-L167 WeakPolarHBondContact O-CB 3.42Å; C164-L167 WeakPolarHBondContact O-CG 3.44Å; C164-L167 PolarHBondContact O-N 2.84Å; C164-L167 VanDerWaalsContact O-N 3.12Å; C164-G173 VanDerWaalsContact O-CA 3.27Å; C164-G173 WeakPolarHBondContact O-CA 3.44Å
165	C	98.5	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.7	178.8	76.9	0	0	0	0	113.7	I123 L161 V163 G174 E175 G176 A238 L239	I123-C165 HydrophobicContact CD1-CB 3.84Å; I123-C165 HydrophobicContact CG2-CB 4.16Å; L161-C165 WeakPolarHBondContact O-CB 3.4Å; L161-C165 PolarHBondContact O-N 2.86Å; V163-C165 PolarHBondContact O-N 2.85Å; C165-G174 CarbonylContact O-C 3.6Å; C165-G174 WeakPolarHBondContact O-CA 3.44Å; C165-G174 PolarHBondContact O-N 2.87Å; C165-E175 PolarHBondContact O-N 3.49Å; C165-E175 VanDerWaalsContact O-N 3.15Å; C165-G176 PolarHBondContact O-N 3Å; C165-G176 PolarHBondContact SG-O 3.41Å; C165-A238 HydrophobicContact CB-CB 3.95Å; C165-L239 HydrophobicContact CB-CB 3.71Å; C165-L239 HydrophobicContact CB-CD2 4.24Å
166	Q	98.4	Very high	97.6	Very high	26 Å²	26	27.1 Å²	27.1	12%	0.121	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.1	-180	-48.4	-172.4	32.2	0	0	112.8	A162 V163 C164 V206 N209	A162-Q166 PolarHBondContact O-NE2 3.49Å; V163-Q166 WeakPolarHBondContact O-CB 3.38Å; V163-Q166 PolarHBondContact O-N 3.07Å; C164-Q166 PolarHBondContact O-N 3.09Å; C164-Q166 VanDerWaalsContact O-N 3.16Å; Q166-V206 PolarHBondContact NE2-O 3.15Å; Q166-N209 PolarHBondContact OE1-ND2 3.04Å
167	L	98.2	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-65.7	155.8	179	-62.3	168.9	0	0	0	111.2	T124 C164 M171 G173 G174 E175 F199 L201	T124-L167 HydrophobicContact CG2-CD1 4.22Å; C164-L167 HydrophobicContact CB-CD1 4.3Å; C164-L167 WeakPolarHBondContact O-CB 3.42Å; C164-L167 WeakPolarHBondContact O-CG 3.44Å; C164-L167 PolarHBondContact O-N 2.84Å; C164-L167 VanDerWaalsContact O-N 3.12Å; L167-M171 HydrophobicContact CB-CB 4.23Å; L167-M171 HydrophobicContact CD2-CE 4.35Å; L167-G173 CarbonylContact O-C 3.57Å; L167-G173 VanDerWaalsContact O-CA 3.3Å; L167-G173 WeakPolarHBondContact O-CA 3.47Å; L167-G174 PolarHBondContact O-N 2.91Å; L167-E175 PolarHBondContact O-N 2.91Å; L167-F199 HydrophobicContact CD1-CD1 3.82Å; L167-F199 HydrophobicContact CD1-CD2 4.46Å; L167-F199 HydrophobicContact CD1-CE1 4.02Å; L167-F199 HydrophobicContact CD1-CG 4.07Å; L167-F199 HydrophobicContact CD1-CZ 4.43Å; L167-F199 HydrophobicContact CD2-CB 3.73Å; L167-F199 HydrophobicContact CD2-CD1 4.31Å; L167-F199 HydrophobicContact CD2-CG 4.11Å; L167-L201 HydrophobicContact CD2-CD1 3.72Å; L167-L201 HydrophobicContact CD2-CD2 4.08Å; L167-L201 HydrophobicContact CD2-CG 3.99Å
168	P	97.3	Very high	97.7	Very high	47 Å²	47	27.7 Å²	27.7	31%	0.305	15%	0.152	S	C	.	.			trans	-49.3	148.5	162.8	-30.4	39.2	0	0	0	113.2	D170 M171 G172 G173	P168-D170 VanDerWaalsContact C-N 3.29Å; P168-D170 WeakPolarHBondContact CB-OD1 3.49Å; P168-D170 PolarHBondContact O-N 3.38Å; P168-M171 HydrophobicContact CB-CB 4.45Å; P168-M171 HydrophobicContact CB-CG 4.33Å; P168-M171 HydrophobicContact CG-SD 4.25Å; P168-M171 PolarHBondContact O-N 3.26Å; P168-G172 PolarHBondContact O-N 3.35Å; P168-G173 PolarHBondContact O-N 2.94Å
169	V	95.8	Very high	97.7	Very high	63 Å²	63	28.2 Å²	28.2	38%	0.382	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-65.1	-33.1	-178.4	176.6	0	0	0	0	111.9	I121 M171 G172 E175	I121-V169 HydrophobicContact CD1-CG2 4.21Å; V169-M171 PolarHBondContact O-N 3.12Å; V169-G172 PolarHBondContact O-N 3.37Å; V169-E175 HydrophobicContact CG2-CG 4.08Å; V169-E175 PolarHBondContact N-OE1 3.37Å
170	D	95.4	Very high	97.7	Very high	148 Å²	148	28.1 Å²	28.1	79%	0.791	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-68.7	-17.3	174.8	69.4	-34.5	0	0	0	113.6	P168	P168-D170 VanDerWaalsContact C-N 3.29Å; P168-D170 WeakPolarHBondContact CB-OD1 3.49Å; P168-D170 PolarHBondContact O-N 3.38Å
171	M	96	Very high	97.7	Very high	97 Å²	97	28.2 Å²	28.2	48%	0.478	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-93.6	7.5	169.8	-65	-173.8	65.6	0	0	113.4	L167 P168 V169	L167-M171 HydrophobicContact CB-CB 4.23Å; L167-M171 HydrophobicContact CD2-CE 4.35Å; P168-M171 HydrophobicContact CB-CB 4.45Å; P168-M171 HydrophobicContact CB-CG 4.33Å; P168-M171 HydrophobicContact CG-SD 4.25Å; P168-M171 PolarHBondContact O-N 3.26Å; V169-M171 PolarHBondContact O-N 3.12Å
172	G	96.7	Very high	97.7	Very high	23 Å²	23	28.2 Å²	28.2	24%	0.237	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	20	-177	0	0	0	0	0	114	I123 T124 P168 V169	I123-G172 CarbonylContact C-O 3.58Å; I123-G172 WeakPolarHBondContact CA-O 3.44Å; T124-G172 WeakPolarHBondContact CG2-O 3.45Å; T124-G172 PolarHBondContact N-O 2.75Å; P168-G172 PolarHBondContact O-N 3.35Å; V169-G172 PolarHBondContact O-N 3.37Å
173	G	97.4	Very high	97.6	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	16%	0.158	C	C	.	.			trans	-90.5	-173.1	170.7	0	0	0	0	0	113.6	I121 C164 L167 P168	I121-G173 WeakPolarHBondContact CG2-O 3.29Å; C164-G173 VanDerWaalsContact O-CA 3.27Å; C164-G173 WeakPolarHBondContact O-CA 3.44Å; L167-G173 CarbonylContact O-C 3.57Å; L167-G173 VanDerWaalsContact O-CA 3.3Å; L167-G173 WeakPolarHBondContact O-CA 3.47Å; P168-G173 PolarHBondContact O-N 2.94Å
174	G	96.5	Very high	97.4	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.021	18%	0.175	C	C	.	.			trans	-120.5	6.3	176.5	0	0	0	0	0	114.3	C165 L167 G176 R236	C165-G174 CarbonylContact O-C 3.6Å; C165-G174 WeakPolarHBondContact O-CA 3.44Å; C165-G174 PolarHBondContact O-N 2.87Å; L167-G174 PolarHBondContact O-N 2.91Å; G174-G176 PolarHBondContact O-N 3.47Å; G174-G176 VanDerWaalsContact O-N 3.13Å; G174-R236 PolarHBondContact O-NH2 3.37Å; G174-R236 VanDerWaalsContact O-NH2 3.11Å
175	E	96.2	Very high	97.2	Very high	95 Å²	95	33 Å²	33	44%	0.444	18%	0.181	S	C	.	.	S	Bend	trans	46.5	43.2	-179.8	-71.1	169.4	-166.9	0	0	113.2	C165 L167 V169 R236	C165-E175 PolarHBondContact O-N 3.49Å; C165-E175 VanDerWaalsContact O-N 3.15Å; L167-E175 PolarHBondContact O-N 2.91Å; V169-E175 HydrophobicContact CG2-CG 4.08Å; V169-E175 PolarHBondContact N-OE1 3.37Å; E175-R236 PolarHBondContact O-NH1 3.21Å; E175-R236 IonicContact OE2-NH1 2.72Å; E175-R236 PolarHBondContact OE2-NH1 3.3Å
176	G	96.6	Very high	97	Very high	8 Å²	8	35.2 Å²	35.2	8%	0.082	20%	0.195	C	C	.	.	S	Bend	trans	-148.9	154.9	-175.2	0	0	0	0	0	112.9	C165 G174	C165-G176 PolarHBondContact O-N 3Å; C165-G176 PolarHBondContact SG-O 3.41Å; G174-G176 PolarHBondContact O-N 3.47Å; G174-G176 VanDerWaalsContact O-N 3.13Å
177	K	98.4	Very high	97	Very high	66 Å²	66	35 Å²	35	29%	0.287	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	164.2	178.4	-66.3	-178.4	-179.4	178.3	0	112	N209 R236 Y237 A238	K177-N209 WeakPolarHBondContact CA-O 3.5Å; K177-N209 WeakPolarHBondContact CB-O 3.23Å; K177-N209 VanDerWaalsContact CE-OD1 3.29Å; K177-N209 WeakPolarHBondContact CE-OD1 3.41Å; K177-N209 HydrophobicContact CG-CB 4.11Å; K177-R236 PolarHBondContact N-O 3.06Å; K177-R236 VanDerWaalsContact N-O 3.07Å; K177-Y237 VanDerWaalsContact C-CD1 3.44Å; K177-Y237 HydrophobicContact CB-CD1 3.4Å; K177-Y237 HydrophobicContact CB-CE1 3.35Å; K177-Y237 HydrophobicContact CB-CG 4.02Å; K177-Y237 HydrophobicContact CD-CE1 4.3Å; K177-Y237 HydrophobicContact CG-CE1 4.46Å; K177-Y237 CarbonylContact O-C 3.59Å; K177-Y237 VanDerWaalsContact O-CA 3.29Å; K177-Y237 WeakPolarHBondContact O-CA 3.16Å; K177-Y237 WeakPolarHBondContact O-CB 3.15Å; K177-Y237 WeakPolarHBondContact O-CD1 3.33Å; K177-A238 PolarHBondContact O-N 3.44Å
178	C	98.7	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.9	174	-174.6	0	0	0	0	111.3	A162 N209 V210 A211 L239	A162-C178 HydrophobicContact CB-CB 4.25Å; C178-N209 PolarHBondContact N-O 3Å; C178-V210 HydrophobicContact CB-CG1 4.35Å; C178-V210 HydrophobicContact CB-CG2 4.09Å; C178-V210 WeakPolarHBondContact O-CA 3.39Å; C178-A211 PolarHBondContact O-N 3.14Å; C178-L239 WeakPolarHBondContact CA-O 3.25Å
179	L	98.7	Very high	96.9	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.063	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.1	163.2	-86	152.2	0	0	0	109	A211 A228 M231 M232 Y237 L239 L240 V241	L179-A211 HydrophobicContact CD2-CB 3.65Å; L179-A211 HydrophobicContact CG-CB 4.23Å; L179-A228 HydrophobicContact CD1-CB 4.07Å; L179-M231 HydrophobicContact CD2-CE 4.05Å; L179-M231 HydrophobicContact CD2-SD 4.07Å; L179-M232 HydrophobicContact CD1-CE 3.51Å; L179-M232 HydrophobicContact CD1-CG 3.81Å; L179-M232 HydrophobicContact CD1-SD 4.45Å; L179-Y237 HydrophobicContact CB-CD1 4.31Å; L179-Y237 HydrophobicContact CD1-CD1 3.65Å; L179-Y237 HydrophobicContact CD1-CD2 4.11Å; L179-Y237 HydrophobicContact CD1-CE1 3.84Å; L179-Y237 HydrophobicContact CD1-CE2 4.27Å; L179-Y237 HydrophobicContact CD1-CG 3.82Å; L179-Y237 HydrophobicContact CD2-CE1 4.39Å; L179-Y237 HydrophobicContact CG-CD1 3.62Å; L179-Y237 HydrophobicContact CG-CE1 3.55Å; L179-Y237 HydrophobicContact CG-CG 4.31Å; L179-L239 PolarHBondContact N-O 2.98Å; L179-L240 HydrophobicContact CB-CD1 3.67Å; L179-L240 CarbonylContact O-C 3.45Å; L179-L240 WeakPolarHBondContact O-CA 3.49Å; L179-V241 PolarHBondContact O-N 2.84Å
180	Y	98.8	Very high	97	Very high	1 Å²	1	44 Å²	44	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	107.9	-176.8	-156.2	-67.6	0	0	0	110.8	C158 A162 D182 F187 A211 Y212 A213 V241 D243	C158-Y180 HydrophobicContact CB-CE2 3.92Å; C158-Y180 WeakPolarHBondContact CB-OH 3.42Å; A162-Y180 HydrophobicContact CB-CD2 4.47Å; Y180-D182 HydrophobicContact CD1-CB 4.22Å; Y180-D182 HydrophobicContact CE1-CB 4.2Å; Y180-F187 AromaticContact CD1-CD2 3.91Å; Y180-F187 HydrophobicContact CD1-CD2 3.91Å; Y180-F187 HydrophobicContact CD1-CE2 4.45Å; Y180-F187 HydrophobicContact CD1-CG 4.48Å; Y180-F187 HydrophobicContact CD2-CD2 4.05Å; Y180-F187 AromaticContact CD2-CE2 3.95Å; Y180-F187 HydrophobicContact CD2-CE2 3.95Å; Y180-F187 HydrophobicContact CE1-CB 4.38Å; Y180-F187 AromaticContact CE1-CD2 3.9Å; Y180-F187 HydrophobicContact CE1-CD2 3.9Å; Y180-F187 HydrophobicContact CE2-CD2 4.02Å; Y180-F187 HydrophobicContact CE2-CE2 4.21Å; Y180-F187 AromaticContact CG-CD2 4Å; Y180-F187 HydrophobicContact CG-CD2 4Å; Y180-F187 HydrophobicContact CG-CE2 4.07Å; Y180-F187 AromaticContact CZ-CD2 3.95Å; Y180-A211 PolarHBondContact N-O 3.16Å; Y180-Y212 HydrophobicContact CD1-CD2 4.42Å; Y180-A213 PolarHBondContact O-N 2.93Å; Y180-V241 HydrophobicContact CD1-CG1 4.48Å; Y180-V241 HydrophobicContact CD2-CB 3.77Å; Y180-V241 HydrophobicContact CD2-CG1 3.97Å; Y180-V241 HydrophobicContact CD2-CG2 3.99Å; Y180-V241 HydrophobicContact CE1-CG1 4.18Å; Y180-V241 HydrophobicContact CE2-CB 3.97Å; Y180-V241 HydrophobicContact CE2-CG1 3.66Å; Y180-V241 HydrophobicContact CE2-CG2 4.15Å; Y180-V241 HydrophobicContact CG-CB 4.12Å; Y180-V241 HydrophobicContact CG-CG1 4.38Å; Y180-D243 HydrophobicContact CE1-CB 3.93Å; Y180-D243 PolarHBondContact OH-OD2 3.04Å
181	I	98.7	Very high	97.1	Very high	4 Å²	4	40 Å²	40	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.1	174.1	-59.4	177	0	0	0	108.6	A213 A215 L224 L225 L240 V241 V242 D243	I181-A213 WeakPolarHBondContact CA-O 3.39Å; I181-A215 HydrophobicContact CG2-CB 4.21Å; I181-L224 HydrophobicContact CD1-CB 3.99Å; I181-L224 HydrophobicContact CG2-CD1 4.1Å; I181-L225 HydrophobicContact CD1-CD2 3.67Å; I181-L240 HydrophobicContact CD1-CD1 4.22Å; I181-L240 HydrophobicContact CG1-CD1 4.42Å; I181-V241 PolarHBondContact N-O 2.79Å; I181-V242 HydrophobicContact CB-CG2 4.43Å; I181-V242 HydrophobicContact CG2-CG1 4.44Å; I181-V242 CarbonylContact O-C 3.56Å; I181-V242 WeakPolarHBondContact O-CA 3.36Å; I181-D243 PolarHBondContact O-N 3.18Å
182	D	98.4	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.8	178.9	176	9.3	0	0	0	110.1	Y180 E184 G185 T186 F187 Y212 A213 R214 A215 D243	Y180-D182 HydrophobicContact CD1-CB 4.22Å; Y180-D182 HydrophobicContact CE1-CB 4.2Å; D182-E184 PolarHBondContact OD1-N 2.93Å; D182-G185 PolarHBondContact OD1-N 2.98Å; D182-G185 WeakPolarHBondContact OD2-CA 3.17Å; D182-G185 PolarHBondContact OD2-N 2.94Å; D182-T186 PolarHBondContact OD1-N 3.27Å; D182-T186 PolarHBondContact OD2-N 3.02Å; D182-T186 VanDerWaalsContact OD2-N 3.12Å; D182-F187 HydrophobicContact CB-CB 4.42Å; D182-F187 WeakPolarHBondContact OD2-CB 3.42Å; D182-F187 PolarHBondContact OD2-N 3.34Å; D182-Y212 HydrophobicContact CB-CD2 4.39Å; D182-Y212 HydrophobicContact CB-CE2 3.39Å; D182-Y212 PolarHBondContact OD2-OH 3.2Å; D182-A213 PolarHBondContact N-O 3.28Å; D182-R214 CarbonylContact O-C 3.47Å; D182-R214 VanDerWaalsContact O-CA 3.31Å; D182-R214 WeakPolarHBondContact O-CA 3.27Å; D182-A215 PolarHBondContact O-N 3.17Å; D182-D243 WeakPolarHBondContact CA-O 3.4Å
183	T	97.4	Very high	97.3	Very high	11 Å²	11	37.2 Å²	37.2	7%	0.067	18%	0.181	C	C	.	.	S	Bend	trans	-109.2	-16.6	177.4	69.3	0	0	0	0	113	A215 D243 S244 L248	T183-A215 HydrophobicContact CG2-CB 4.23Å; T183-D243 PolarHBondContact N-O 3.49Å; T183-D243 PolarHBondContact OG1-O 3.43Å; T183-S244 VanDerWaalsContact CG2-O 3.24Å; T183-S244 WeakPolarHBondContact CG2-O 3.33Å; T183-S244 PolarHBondContact OG1-N 3.12Å; T183-S244 PolarHBondContact OG1-O 3.33Å; T183-L248 HydrophobicContact CG2-CD1 3.85Å; T183-L248 HydrophobicContact CG2-CG 4.3Å
184	E	93.8	Very high	97.3	Very high	76 Å²	76	38.9 Å²	38.9	36%	0.355	19%	0.192	S	C	.	.	S	Bend	trans	-106.3	-15.5	-172.9	-62.5	-173	-148.9	0	0	112.5	D182 T186 S244 A247 Q289	D182-E184 PolarHBondContact OD1-N 2.93Å; E184-T186 HydrophobicContact CB-CG2 3.88Å; E184-S244 VanDerWaalsContact OE1-CB 3.29Å; E184-S244 WeakPolarHBondContact OE1-CB 3.47Å; E184-S244 PolarHBondContact OE1-OG 2.66Å; E184-A247 HydrophobicContact CG-CB 3.94Å; E184-Q289 PolarHBondContact OE1-NE2 2.62Å; E184-Q289 PolarHBondContact OE2-NE2 3.42Å
185	G	95.1	Very high	97.4	Very high	13 Å²	13	38.8 Å²	38.8	13%	0.134	19%	0.191	C	C	.	.	S	Bend	trans	78.9	29.9	-174.8	0	0	0	0	0	112.6	D182 R188	D182-G185 PolarHBondContact OD1-N 2.98Å; D182-G185 WeakPolarHBondContact OD2-CA 3.17Å; D182-G185 PolarHBondContact OD2-N 2.94Å; G185-R188 PolarHBondContact O-NH1 2.91Å; G185-R188 PolarHBondContact O-NH2 3.39Å
186	T	94.8	Very high	97.5	Very high	47 Å²	47	34.3 Å²	34.3	29%	0.288	17%	0.17	S	C	.	.			trans	-99.1	-9.5	-172.5	49	0	0	0	0	113.7	D182 E184 R188	D182-T186 PolarHBondContact OD1-N 3.27Å; D182-T186 PolarHBondContact OD2-N 3.02Å; D182-T186 VanDerWaalsContact OD2-N 3.12Å; E184-T186 HydrophobicContact CB-CG2 3.88Å; T186-R188 PolarHBondContact O-N 3.46Å
187	F	97.6	Very high	97.6	Very high	21 Å²	21	40.9 Å²	40.9	9%	0.092	20%	0.199	C	C	.	.			trans	-62.6	131.6	175.5	-174.7	-108.4	0	0	0	111.6	H159 Y180 D182 P189 L192 V210 Y212	H159-F187 AromaticContact CD2-CD2 3.86Å; H159-F187 AromaticContact NE2-CD2 3.62Å; Y180-F187 AromaticContact CD1-CD2 3.91Å; Y180-F187 HydrophobicContact CD1-CD2 3.91Å; Y180-F187 HydrophobicContact CD1-CE2 4.45Å; Y180-F187 HydrophobicContact CD1-CG 4.48Å; Y180-F187 HydrophobicContact CD2-CD2 4.05Å; Y180-F187 AromaticContact CD2-CE2 3.95Å; Y180-F187 HydrophobicContact CD2-CE2 3.95Å; Y180-F187 HydrophobicContact CE1-CB 4.38Å; Y180-F187 AromaticContact CE1-CD2 3.9Å; Y180-F187 HydrophobicContact CE1-CD2 3.9Å; Y180-F187 HydrophobicContact CE2-CD2 4.02Å; Y180-F187 HydrophobicContact CE2-CE2 4.21Å; Y180-F187 AromaticContact CG-CD2 4Å; Y180-F187 HydrophobicContact CG-CD2 4Å; Y180-F187 HydrophobicContact CG-CE2 4.07Å; Y180-F187 AromaticContact CZ-CD2 3.95Å; D182-F187 HydrophobicContact CB-CB 4.42Å; D182-F187 WeakPolarHBondContact OD2-CB 3.42Å; D182-F187 PolarHBondContact OD2-N 3.34Å; F187-P189 HydrophobicContact CD1-CG 4.25Å; F187-P189 HydrophobicContact CE1-CG 3.84Å; F187-L192 HydrophobicContact CE2-CD1 4.21Å; F187-L192 HydrophobicContact CZ-CD1 3.98Å; F187-V210 HydrophobicContact CE2-CG1 4.35Å; F187-V210 HydrophobicContact CZ-CG1 3.95Å; F187-Y212 HydrophobicContact CB-CD2 3.91Å; F187-Y212 HydrophobicContact CB-CE2 3.33Å; F187-Y212 AromaticContact CD1-CD2 3.31Å; F187-Y212 HydrophobicContact CD1-CD2 3.31Å; F187-Y212 AromaticContact CD1-CE2 3.55Å; F187-Y212 HydrophobicContact CD1-CE2 3.55Å; F187-Y212 AromaticContact CD1-CG 3.92Å; F187-Y212 HydrophobicContact CD1-CG 3.92Å; F187-Y212 HydrophobicContact CD2-CD2 4.29Å; F187-Y212 AromaticContact CE1-CD2 3.8Å; F187-Y212 HydrophobicContact CE1-CD2 3.8Å; F187-Y212 HydrophobicContact CE1-CE2 4.47Å; F187-Y212 HydrophobicContact CE1-CG 4.11Å; F187-Y212 AromaticContact CG-CD2 3.59Å; F187-Y212 HydrophobicContact CG-CD2 3.59Å; F187-Y212 AromaticContact CG-CE2 3.57Å; F187-Y212 HydrophobicContact CG-CE2 3.57Å; F187-Y212 HydrophobicContact CZ-CD2 4.48Å
188	R	97.5	Very high	97.6	Very high	125 Å²	125	41.6 Å²	41.6	47%	0.472	20%	0.2	S	C	.	.			trans	-136.3	101.8	-179.3	-67.8	-62.3	177.7	-79	-2.8	108.9	G185 T186 E190 R191	G185-R188 PolarHBondContact O-NH1 2.91Å; G185-R188 PolarHBondContact O-NH2 3.39Å; T186-R188 PolarHBondContact O-N 3.46Å; R188-E190 VanDerWaalsContact C-OE2 3.31Å; R188-E190 WeakPolarHBondContact CB-OE2 3.24Å; R188-E190 PolarHBondContact O-N 3.37Å; R188-E190 VanDerWaalsContact O-N 3.1Å; R188-R191 HydrophobicContact CB-CG 4.02Å; R188-R191 WeakPolarHBondContact O-CB 3.31Å; R188-R191 PolarHBondContact O-N 3.15Å
189	P	97.2	Very high	97.6	Very high	50 Å²	50	43.4 Å²	43.4	33%	0.325	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-53.1	-31.7	-178.1	-26.9	34.4	0	0	0	113.5	F187 R191 L192 L207	F187-P189 HydrophobicContact CD1-CG 4.25Å; F187-P189 HydrophobicContact CE1-CG 3.84Å; P189-R191 PolarHBondContact O-N 3.1Å; P189-R191 VanDerWaalsContact O-N 3.14Å; P189-L192 WeakPolarHBondContact O-CB 3.46Å; P189-L192 PolarHBondContact O-N 2.98Å; P189-L207 HydrophobicContact CB-CD2 4Å
190	E	97.2	Very high	97.5	Very high	125 Å²	125	51.5 Å²	51.5	58%	0.584	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-64.6	-16.8	178.5	-46.3	83.3	173.6	0	0	112.9	R188 P194	R188-E190 VanDerWaalsContact C-OE2 3.31Å; R188-E190 WeakPolarHBondContact CB-OE2 3.24Å; R188-E190 PolarHBondContact O-N 3.37Å; R188-E190 VanDerWaalsContact O-N 3.1Å; E190-P194 VanDerWaalsContact O-CD 3.22Å; E190-P194 WeakPolarHBondContact O-CD 3.37Å
191	R	97.2	Very high	97.4	Very high	63 Å²	63	53.8 Å²	53.8	24%	0.238	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-82	-13.8	171.7	-66.3	-64	-64.2	134.3	-3.2	113.3	H159 R188 P189 L352 P353	H159-R191 WeakPolarHBondContact ND1-CB 3.47Å; R188-R191 HydrophobicContact CB-CG 4.02Å; R188-R191 WeakPolarHBondContact O-CB 3.31Å; R188-R191 PolarHBondContact O-N 3.15Å; P189-R191 PolarHBondContact O-N 3.1Å; P189-R191 VanDerWaalsContact O-N 3.14Å; R191-L352 PolarHBondContact NH2-O 3.39Å; R191-L352 VanDerWaalsContact NH2-O 3.17Å; R191-P353 PolarHBondContact NH1-O 2.9Å
192	L	98.5	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-35.6	177.3	-52.2	-168.2	0	0	0	111.7	H159 V163 F187 P189 V195 A196 L207 V210	H159-L192 HydrophobicContact CB-CD2 3.72Å; H159-L192 VanDerWaalsContact O-CD2 3.22Å; H159-L192 WeakPolarHBondContact O-CD2 3.37Å; V163-L192 HydrophobicContact CG2-CB 3.93Å; V163-L192 HydrophobicContact CG2-CD2 4.21Å; V163-L192 HydrophobicContact CG2-CG 4.5Å; F187-L192 HydrophobicContact CE2-CD1 4.21Å; F187-L192 HydrophobicContact CZ-CD1 3.98Å; P189-L192 WeakPolarHBondContact O-CB 3.46Å; P189-L192 PolarHBondContact O-N 2.98Å; L192-V195 WeakPolarHBondContact O-CA 3.29Å; L192-V195 WeakPolarHBondContact O-CB 3.18Å; L192-V195 PolarHBondContact O-N 3.39Å; L192-A196 PolarHBondContact O-N 2.95Å; L192-L207 HydrophobicContact CB-CD2 4.08Å; L192-L207 HydrophobicContact CD1-CD2 4.01Å; L192-L207 HydrophobicContact CG-CD2 4.42Å; L192-V210 HydrophobicContact CD1-CG2 4Å
193	L	98.6	Very high	97.3	Very high	62 Å²	62	57 Å²	57	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-57.2	-46.8	-176.7	-63.6	172.3	0	0	0	113.7	V195 A196 E197 L207	L193-V195 PolarHBondContact O-N 2.95Å; L193-A196 WeakPolarHBondContact O-CB 3.43Å; L193-A196 PolarHBondContact O-N 2.99Å; L193-A196 VanDerWaalsContact O-N 3.15Å; L193-E197 WeakPolarHBondContact O-CG 3.47Å; L193-E197 PolarHBondContact O-N 3.06Å; L193-L207 HydrophobicContact CD2-CD1 3.89Å; L193-L207 HydrophobicContact CD2-CG 4.13Å; L193-L207 HydrophobicContact CG-CD1 4.35Å
194	P	98.4	Very high	97.4	Very high	35 Å²	35	60.5 Å²	60.5	23%	0.227	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-26.3	176.5	-24.7	36.9	0	0	0	113.7	E190 R198 P353	E190-P194 VanDerWaalsContact O-CD 3.22Å; E190-P194 WeakPolarHBondContact O-CD 3.37Å; P194-R198 WeakPolarHBondContact O-CB 3.1Å; P194-R198 PolarHBondContact O-N 2.98Å; P194-R198 VanDerWaalsContact O-N 3.15Å; P194-P353 WeakPolarHBondContact CB-O 3.15Å
195	V	98.5	Very high	97.6	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-75.5	-41.1	174.9	-171.3	0	0	0	0	110	T160 V163 L192 L193 R198 F199	T160-V195 HydrophobicContact CG2-CG1 4.02Å; V163-V195 HydrophobicContact CB-CB 4.24Å; V163-V195 HydrophobicContact CB-CG1 3.8Å; V163-V195 HydrophobicContact CG1-CB 4.36Å; V163-V195 HydrophobicContact CG1-CG1 3.99Å; V163-V195 HydrophobicContact CG2-CB 4.03Å; V163-V195 HydrophobicContact CG2-CG1 4.13Å; L192-V195 WeakPolarHBondContact O-CA 3.29Å; L192-V195 WeakPolarHBondContact O-CB 3.18Å; L192-V195 PolarHBondContact O-N 3.39Å; L193-V195 PolarHBondContact O-N 2.95Å; V195-R198 WeakPolarHBondContact O-CB 3.28Å; V195-R198 PolarHBondContact O-N 3.33Å; V195-F199 HydrophobicContact CG1-CD2 3.9Å; V195-F199 HydrophobicContact CG1-CE2 3.86Å; V195-F199 VanDerWaalsContact O-CD2 3.29Å; V195-F199 WeakPolarHBondContact O-CD2 3.19Å; V195-F199 PolarHBondContact O-N 3.46Å; V195-F199 VanDerWaalsContact O-N 3.13Å
196	A	98.4	Very high	97.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-47.4	173.5	0	0	0	0	0	111.4	V163 L192 L193 R198 F199 Q200 L201 V206	V163-A196 HydrophobicContact CG1-CB 4.38Å; L192-A196 PolarHBondContact O-N 2.95Å; L193-A196 WeakPolarHBondContact O-CB 3.43Å; L193-A196 PolarHBondContact O-N 2.99Å; L193-A196 VanDerWaalsContact O-N 3.15Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.32Å; A196-F199 CarbonylContact O-C 3.42Å; A196-F199 PolarHBondContact O-N 2.87Å; A196-Q200 PolarHBondContact O-N 3.46Å; A196-L201 HydrophobicContact CB-CB 4.2Å; A196-L201 PolarHBondContact O-N 2.92Å; A196-V206 HydrophobicContact CB-CB 4.16Å; A196-V206 HydrophobicContact CB-CG1 4.17Å; A196-V206 HydrophobicContact CB-CG2 3.91Å
197	E	98.1	Very high	97.9	Very high	146 Å²	146	61 Å²	61	68%	0.682	31%	0.305	S	S	*	.	H	α-helix	trans	-56.2	-45.7	175.1	-72.9	172.6	-173.3	0	0	112.1	L193 F199 Q200	L193-E197 WeakPolarHBondContact O-CG 3.47Å; L193-E197 PolarHBondContact O-N 3.06Å; E197-F199 VanDerWaalsContact C-N 3.31Å; E197-F199 PolarHBondContact O-N 3.44Å; E197-Q200 PolarHBondContact O-N 3.29Å; E197-Q200 VanDerWaalsContact O-N 3.07Å
198	R	98.2	Very high	97.9	Very high	82 Å²	82	66.6 Å²	66.6	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-40.2	177.6	177.1	-172.5	171.7	-170.6	-7.9	112.9	G126 P194 V195 A196 Q200 D354 I356	G126-R198 PolarHBondContact O-NH2 2.94Å; P194-R198 WeakPolarHBondContact O-CB 3.1Å; P194-R198 PolarHBondContact O-N 2.98Å; P194-R198 VanDerWaalsContact O-N 3.15Å; V195-R198 WeakPolarHBondContact O-CB 3.28Å; V195-R198 PolarHBondContact O-N 3.33Å; A196-R198 VanDerWaalsContact C-N 3.34Å; A196-R198 PolarHBondContact O-N 3.32Å; R198-Q200 VanDerWaalsContact C-N 3.34Å; R198-D354 HydrophobicContact CB-CB 4.22Å; R198-D354 WeakPolarHBondContact CD-O 3.41Å; R198-D354 WeakPolarHBondContact CD-OD2 3.46Å; R198-D354 IonicContact NE-OD2 2.82Å; R198-I356 PolarHBondContact NH1-O 2.63Å
199	F	97.7	Very high	98	Very high	37 Å²	37	63.2 Å²	63.2	16%	0.162	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	12	177.4	-67.9	-73	0	0	0	113.8	L167 V195 A196 E197 L201	L167-F199 HydrophobicContact CD1-CD1 3.82Å; L167-F199 HydrophobicContact CD1-CD2 4.46Å; L167-F199 HydrophobicContact CD1-CE1 4.02Å; L167-F199 HydrophobicContact CD1-CG 4.07Å; L167-F199 HydrophobicContact CD1-CZ 4.43Å; L167-F199 HydrophobicContact CD2-CB 3.73Å; L167-F199 HydrophobicContact CD2-CD1 4.31Å; L167-F199 HydrophobicContact CD2-CG 4.11Å; V195-F199 HydrophobicContact CG1-CD2 3.9Å; V195-F199 HydrophobicContact CG1-CE2 3.86Å; V195-F199 VanDerWaalsContact O-CD2 3.29Å; V195-F199 WeakPolarHBondContact O-CD2 3.19Å; V195-F199 PolarHBondContact O-N 3.46Å; V195-F199 VanDerWaalsContact O-N 3.13Å; A196-F199 CarbonylContact O-C 3.42Å; A196-F199 PolarHBondContact O-N 2.87Å; E197-F199 VanDerWaalsContact C-N 3.31Å; E197-F199 PolarHBondContact O-N 3.44Å; F199-L201 HydrophobicContact CB-CG 4.32Å; F199-L201 PolarHBondContact O-N 3.16Å
200	Q	97.6	Very high	98.1	Very high	183 Å²	183	61.6 Å²	61.6	86%	0.855	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.2	177	-54.1	174.2	11.8	0	0	113.7	A196 E197 R198	A196-Q200 PolarHBondContact O-N 3.46Å; E197-Q200 PolarHBondContact O-N 3.29Å; E197-Q200 VanDerWaalsContact O-N 3.07Å; R198-Q200 VanDerWaalsContact C-N 3.34Å
201	L	97.4	Very high	98.1	Very high	49 Å²	49	56.8 Å²	56.8	26%	0.257	30%	0.298	S	S	.	.			trans	-87.9	153.1	174.6	-62.4	-178.4	0	0	0	111.5	V163 L167 A196 F199 G203 V206	V163-L201 HydrophobicContact CG1-CD1 3.9Å; L167-L201 HydrophobicContact CD2-CD1 3.72Å; L167-L201 HydrophobicContact CD2-CD2 4.08Å; L167-L201 HydrophobicContact CD2-CG 3.99Å; A196-L201 HydrophobicContact CB-CB 4.2Å; A196-L201 PolarHBondContact O-N 2.92Å; F199-L201 HydrophobicContact CB-CG 4.32Å; F199-L201 PolarHBondContact O-N 3.16Å; L201-G203 PolarHBondContact O-N 3.22Å; L201-V206 HydrophobicContact CB-CG2 3.62Å; L201-V206 HydrophobicContact CD1-CG2 3.67Å; L201-V206 HydrophobicContact CG-CG2 4.3Å
202	S	97.8	Very high	98.2	Very high	56 Å²	56	58.4 Å²	58.4	39%	0.392	31%	0.305	S	S	.	.			trans	-69.5	114.8	171.5	174.9	0	0	0	0	110.5	D205 V206	S202-D205 WeakPolarHBondContact CB-OD2 3.44Å; S202-D205 PolarHBondContact O-N 3.26Å; S202-D205 PolarHBondContact OG-OD2 3.12Å; S202-V206 WeakPolarHBondContact O-CG2 3.22Å; S202-V206 PolarHBondContact O-N 3.02Å
203	G	97.5	Very high	98.2	Very high	15 Å²	15	59.8 Å²	59.8	16%	0.155	32%	0.316	C	S	.	.	H	α-helix	trans	-53.5	-47.7	-178.9	0	0	0	0	0	114.6	L201 V206 L207	L201-G203 PolarHBondContact O-N 3.22Å; G203-V206 PolarHBondContact O-N 3.49Å; G203-L207 WeakPolarHBondContact O-CG 3.03Å; G203-L207 PolarHBondContact O-N 3.29Å; G203-L207 VanDerWaalsContact O-N 3.14Å
204	P	97.8	Very high	98.2	Very high	84 Å²	84	61.4 Å²	61.4	55%	0.545	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-48.3	175	-26.2	36	0	0	0	113.2	V206 L207 D208	P204-V206 VanDerWaalsContact C-N 3.29Å; P204-V206 PolarHBondContact O-N 3.22Å; P204-L207 PolarHBondContact O-N 2.89Å; P204-L207 VanDerWaalsContact O-N 3.07Å; P204-D208 PolarHBondContact O-N 2.93Å
205	D	98.2	Very high	98.1	Very high	91 Å²	91	59.8 Å²	59.8	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-35.8	-178.3	-56.4	-42.4	0	0	0	111.5	S202 L207 D208 N209	S202-D205 WeakPolarHBondContact CB-OD2 3.44Å; S202-D205 PolarHBondContact O-N 3.26Å; S202-D205 PolarHBondContact OG-OD2 3.12Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.15Å; D205-D208 PolarHBondContact O-N 3.19Å; D205-N209 WeakPolarHBondContact O-CB 3.43Å; D205-N209 VanDerWaalsContact O-CG 3.31Å; D205-N209 PolarHBondContact O-N 3.41Å; D205-N209 VanDerWaalsContact O-N 3.13Å; D205-N209 PolarHBondContact O-ND2 2.92Å; D205-N209 VanDerWaalsContact O-ND2 3.1Å
206	V	98.5	Very high	98.1	Very high	4 Å²	4	67 Å²	67	2%	0.024	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-39.2	173.4	166.6	0	0	0	0	111.9	V163 Q166 A196 L201 S202 G203 P204 V210	V163-V206 HydrophobicContact CB-CG1 4.36Å; V163-V206 HydrophobicContact CG1-CG1 4.02Å; V163-V206 HydrophobicContact CG1-CG2 4.43Å; V163-V206 HydrophobicContact CG2-CG1 3.77Å; Q166-V206 PolarHBondContact NE2-O 3.15Å; A196-V206 HydrophobicContact CB-CB 4.16Å; A196-V206 HydrophobicContact CB-CG1 4.17Å; A196-V206 HydrophobicContact CB-CG2 3.91Å; L201-V206 HydrophobicContact CB-CG2 3.62Å; L201-V206 HydrophobicContact CD1-CG2 3.67Å; L201-V206 HydrophobicContact CG-CG2 4.3Å; S202-V206 WeakPolarHBondContact O-CG2 3.22Å; S202-V206 PolarHBondContact O-N 3.02Å; G203-V206 PolarHBondContact O-N 3.49Å; P204-V206 VanDerWaalsContact C-N 3.29Å; P204-V206 PolarHBondContact O-N 3.22Å; V206-V210 WeakPolarHBondContact O-CG2 3.3Å
207	L	98.4	Very high	98	Very high	53 Å²	53	70.1 Å²	70.1	28%	0.277	35%	0.353	S	S	.	.	H	α-helix	trans	-71	-43.5	177.9	-69.3	-178.1	0	0	0	112	P189 L192 L193 G203 P204 D205 N209 V210	P189-L207 HydrophobicContact CB-CD2 4Å; L192-L207 HydrophobicContact CB-CD2 4.08Å; L192-L207 HydrophobicContact CD1-CD2 4.01Å; L192-L207 HydrophobicContact CG-CD2 4.42Å; L193-L207 HydrophobicContact CD2-CD1 3.89Å; L193-L207 HydrophobicContact CD2-CG 4.13Å; L193-L207 HydrophobicContact CG-CD1 4.35Å; G203-L207 WeakPolarHBondContact O-CG 3.03Å; G203-L207 PolarHBondContact O-N 3.29Å; G203-L207 VanDerWaalsContact O-N 3.14Å; P204-L207 PolarHBondContact O-N 2.89Å; P204-L207 VanDerWaalsContact O-N 3.07Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.15Å; L207-N209 PolarHBondContact O-N 3.41Å; L207-V210 PolarHBondContact O-N 2.92Å
208	D	98.1	Very high	98	Very high	137 Å²	137	63.4 Å²	63.4	73%	0.733	32%	0.321	S	S	*	.	H	α-helix	trans	-65.3	-22.8	178.9	-75.4	-11.5	0	0	0	112.7	P204 D205	P204-D208 PolarHBondContact O-N 2.93Å; D205-D208 PolarHBondContact O-N 3.19Å
209	N	98.4	Very high	98	Very high	54 Å²	54	63.8 Å²	63.8	29%	0.289	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.8	173.8	-76.8	-32.4	0	0	0	114.9	Q166 K177 C178 D205 L207	Q166-N209 PolarHBondContact OE1-ND2 3.04Å; K177-N209 WeakPolarHBondContact CA-O 3.5Å; K177-N209 WeakPolarHBondContact CB-O 3.23Å; K177-N209 VanDerWaalsContact CE-OD1 3.29Å; K177-N209 WeakPolarHBondContact CE-OD1 3.41Å; K177-N209 HydrophobicContact CG-CB 4.11Å; C178-N209 PolarHBondContact N-O 3Å; D205-N209 WeakPolarHBondContact O-CB 3.43Å; D205-N209 VanDerWaalsContact O-CG 3.31Å; D205-N209 PolarHBondContact O-N 3.41Å; D205-N209 VanDerWaalsContact O-N 3.13Å; D205-N209 PolarHBondContact O-ND2 2.92Å; D205-N209 VanDerWaalsContact O-ND2 3.1Å; L207-N209 PolarHBondContact O-N 3.41Å
210	V	98.6	Very high	98	Very high	17 Å²	17	64.5 Å²	64.5	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	105.1	174.9	-177.6	0	0	0	0	110.9	A162 C178 F187 L192 V206 L207 Y212	A162-V210 HydrophobicContact CB-CG2 4.5Å; C178-V210 HydrophobicContact CB-CG1 4.35Å; C178-V210 HydrophobicContact CB-CG2 4.09Å; C178-V210 WeakPolarHBondContact O-CA 3.39Å; F187-V210 HydrophobicContact CE2-CG1 4.35Å; F187-V210 HydrophobicContact CZ-CG1 3.95Å; L192-V210 HydrophobicContact CD1-CG2 4Å; V206-V210 WeakPolarHBondContact O-CG2 3.3Å; L207-V210 PolarHBondContact O-N 2.92Å; V210-Y212 PolarHBondContact O-N 3.02Å
211	A	98.6	Very high	98	Very high	24 Å²	24	55.8 Å²	55.8	20%	0.198	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110	173	0	0	0	0	0	110.8	C178 L179 Y180 M231 Y237	C178-A211 PolarHBondContact O-N 3.14Å; L179-A211 HydrophobicContact CD2-CB 3.65Å; L179-A211 HydrophobicContact CG-CB 4.23Å; Y180-A211 PolarHBondContact N-O 3.16Å; A211-M231 HydrophobicContact CB-CE 3.64Å; A211-Y237 HydrophobicContact CB-CE1 4.29Å
212	Y	98.5	Very high	97.9	Very high	97 Å²	97	54.8 Å²	54.8	38%	0.38	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.2	179.5	174.8	-100.8	0	0	0	112.7	Y180 D182 F187 V210 R214	Y180-Y212 HydrophobicContact CD1-CD2 4.42Å; D182-Y212 HydrophobicContact CB-CD2 4.39Å; D182-Y212 HydrophobicContact CB-CE2 3.39Å; D182-Y212 PolarHBondContact OD2-OH 3.2Å; F187-Y212 HydrophobicContact CB-CD2 3.91Å; F187-Y212 HydrophobicContact CB-CE2 3.33Å; F187-Y212 AromaticContact CD1-CD2 3.31Å; F187-Y212 HydrophobicContact CD1-CD2 3.31Å; F187-Y212 AromaticContact CD1-CE2 3.55Å; F187-Y212 HydrophobicContact CD1-CE2 3.55Å; F187-Y212 AromaticContact CD1-CG 3.92Å; F187-Y212 HydrophobicContact CD1-CG 3.92Å; F187-Y212 HydrophobicContact CD2-CD2 4.29Å; F187-Y212 AromaticContact CE1-CD2 3.8Å; F187-Y212 HydrophobicContact CE1-CD2 3.8Å; F187-Y212 HydrophobicContact CE1-CE2 4.47Å; F187-Y212 HydrophobicContact CE1-CG 4.11Å; F187-Y212 AromaticContact CG-CD2 3.59Å; F187-Y212 HydrophobicContact CG-CD2 3.59Å; F187-Y212 AromaticContact CG-CE2 3.57Å; F187-Y212 HydrophobicContact CG-CE2 3.57Å; F187-Y212 HydrophobicContact CZ-CD2 4.48Å; V210-Y212 PolarHBondContact O-N 3.02Å; Y212-R214 HydrophobicContact CE1-CB 4.18Å
213	A	98.4	Very high	97.9	Very high	28 Å²	28	57.3 Å²	57.3	23%	0.231	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139	167.8	0	0	0	0	0	111.3	Y180 I181 D182 L224	Y180-A213 PolarHBondContact O-N 2.93Å; I181-A213 WeakPolarHBondContact CA-O 3.39Å; D182-A213 PolarHBondContact N-O 3.28Å; A213-L224 HydrophobicContact CB-CD1 3.96Å; A213-L224 HydrophobicContact CB-CD2 3.77Å; A213-L224 HydrophobicContact CB-CG 4.47Å
214	R	98.2	Very high	97.9	Very high	96 Å²	96	57.2 Å²	57.2	36%	0.362	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.3	173.2	-169.8	169.9	179.8	177.8	4	111.1	D182 Y212 Y216 H220	D182-R214 CarbonylContact O-C 3.47Å; D182-R214 VanDerWaalsContact O-CA 3.31Å; D182-R214 WeakPolarHBondContact O-CA 3.27Å; Y212-R214 HydrophobicContact CE1-CB 4.18Å; R214-Y216 HydrophobicContact CB-CE2 4Å; R214-Y216 HydrophobicContact CG-CE1 4.38Å; R214-Y216 HydrophobicContact CG-CE2 4.01Å; R214-Y216 VanDerWaalsContact O-CD2 3.24Å; R214-Y216 WeakPolarHBondContact O-CD2 3.41Å; R214-Y216 VanDerWaalsContact O-CE2 3.31Å; R214-Y216 WeakPolarHBondContact O-CE2 3.42Å; R214-H220 PolarHBondContact O-CE1 2.94Å; R214-H220 VanDerWaalsContact O-CE1 3.27Å
215	A	98.2	Very high	97.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.008	26%	0.264	C	S	.	.			trans	-83.8	143.2	171.2	0	0	0	0	0	110.6	I181 D182 T183 Q221 L224 L248	I181-A215 HydrophobicContact CG2-CB 4.21Å; D182-A215 PolarHBondContact O-N 3.17Å; T183-A215 HydrophobicContact CG2-CB 4.23Å; A215-Q221 HydrophobicContact CB-CB 3.88Å; A215-Q221 HydrophobicContact CB-CG 4.1Å; A215-L224 HydrophobicContact CB-CD1 3.9Å; A215-L248 HydrophobicContact CB-CD1 3.88Å
216	Y	97.2	Very high	97.7	Very high	152 Å²	152	51.7 Å²	51.7	60%	0.596	26%	0.255	S	S	*	.			trans	-121.6	-11.9	-175.3	-69	-88.3	0	0	0	114	R214 H220	R214-Y216 HydrophobicContact CB-CE2 4Å; R214-Y216 HydrophobicContact CG-CE1 4.38Å; R214-Y216 HydrophobicContact CG-CE2 4.01Å; R214-Y216 VanDerWaalsContact O-CD2 3.24Å; R214-Y216 WeakPolarHBondContact O-CD2 3.41Å; R214-Y216 VanDerWaalsContact O-CE2 3.31Å; R214-Y216 WeakPolarHBondContact O-CE2 3.42Å; Y216-H220 AromaticContact CD2-ND1 3.93Å
217	N	97.5	Very high	97.6	Very high	67 Å²	67	56.9 Å²	56.9	36%	0.358	28%	0.279	S	S	.	.	S	Bend	trans	-159.5	165.7	173.9	57.8	61	0	0	0	109.2	D219 H220 Q221 D252	N217-D219 VanDerWaalsContact C-N 3.31Å; N217-D219 PolarHBondContact O-N 3.07Å; N217-D219 PolarHBondContact OD1-N 3.03Å; N217-H220 PolarHBondContact O-N 2.88Å; N217-H220 VanDerWaalsContact OD1-CB 3.26Å; N217-H220 WeakPolarHBondContact OD1-CB 3.38Å; N217-H220 PolarHBondContact OD1-N 2.92Å; N217-Q221 PolarHBondContact O-N 2.9Å; N217-D252 WeakPolarHBondContact CA-OD2 3.46Å; N217-D252 WeakPolarHBondContact CB-OD2 3.18Å
218	T	97.4	Very high	97.6	Very high	4 Å²	4	54.4 Å²	54.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-27.2	-173.5	54.7	0	0	0	0	114.8	T222 L248 Y249 D252 Y253 H265	T218-T222 PolarHBondContact O-N 3.41Å; T218-T222 PolarHBondContact O-OG1 3.05Å; T218-L248 HydrophobicContact CG2-CB 3.79Å; T218-Y249 HydrophobicContact CG2-CD1 3.85Å; T218-Y249 HydrophobicContact CG2-CD2 3.71Å; T218-Y249 HydrophobicContact CG2-CE1 3.99Å; T218-Y249 HydrophobicContact CG2-CE2 3.84Å; T218-Y249 HydrophobicContact CG2-CG 3.73Å; T218-D252 HydrophobicContact CG2-CB 4.21Å; T218-D252 PolarHBondContact N-OD2 2.92Å; T218-Y253 HydrophobicContact CG2-CE2 4.03Å; T218-H265 PolarHBondContact O-CE1 3.36Å
219	D	97.3	Very high	97.4	Very high	91 Å²	91	47.9 Å²	47.9	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-72.4	-47.3	176.4	-69.2	-29.5	0	0	0	110.6	N217 Q221 T222 Q223 H265	N217-D219 VanDerWaalsContact C-N 3.31Å; N217-D219 PolarHBondContact O-N 3.07Å; N217-D219 PolarHBondContact OD1-N 3.03Å; D219-Q221 VanDerWaalsContact C-N 3.31Å; D219-Q221 PolarHBondContact O-N 2.93Å; D219-T222 WeakPolarHBondContact O-CB 3.43Å; D219-T222 PolarHBondContact O-N 3.26Å; D219-Q223 WeakPolarHBondContact O-CG 3.49Å; D219-Q223 PolarHBondContact O-N 3.17Å; D219-H265 IonicContact OD1-CE1 2.76Å; D219-H265 IonicContact OD1-NE2 3.94Å; D219-H265 PolarHBondContact OD1-NE2 3.24Å
220	H	98.1	Very high	97.3	Very high	51 Å²	51	46.2 Å²	46.2	24%	0.236	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-41.7	174.4	-179	-159.5	0	0	0	111.1	R214 Y216 N217 T222 Q223 L224	R214-H220 PolarHBondContact O-CE1 2.94Å; R214-H220 VanDerWaalsContact O-CE1 3.27Å; Y216-H220 AromaticContact CD2-ND1 3.93Å; N217-H220 PolarHBondContact O-N 2.88Å; N217-H220 VanDerWaalsContact OD1-CB 3.26Å; N217-H220 WeakPolarHBondContact OD1-CB 3.38Å; N217-H220 PolarHBondContact OD1-N 2.92Å; H220-T222 PolarHBondContact O-N 2.88Å; H220-Q223 PolarHBondContact O-N 3.07Å; H220-Q223 VanDerWaalsContact O-N 3.13Å; H220-L224 WeakPolarHBondContact O-CG 3.22Å; H220-L224 PolarHBondContact O-N 2.62Å
221	Q	97.4	Very high	97.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.9	-35.5	173.9	-165.5	-173.5	-6.7	0	0	112.3	A215 N217 D219 L248 F269	A215-Q221 HydrophobicContact CB-CB 3.88Å; A215-Q221 HydrophobicContact CB-CG 4.1Å; N217-Q221 PolarHBondContact O-N 2.9Å; D219-Q221 VanDerWaalsContact C-N 3.31Å; D219-Q221 PolarHBondContact O-N 2.93Å; Q221-L248 HydrophobicContact CB-CD1 4.29Å; Q221-F269 HydrophobicContact CG-CE2 3.73Å; Q221-F269 HydrophobicContact CG-CZ 3.94Å; Q221-F269 VanDerWaalsContact NE2-CZ 3.34Å
222	T	96.6	Very high	97.1	Very high	28 Å²	28	47.9 Å²	47.9	17%	0.172	23%	0.229	C	C	.	.	H	α-helix	trans	-79.3	-37.3	176.9	-54.2	0	0	0	0	112.1	T218 D219 H220 L224 L225 H265	T218-T222 PolarHBondContact O-N 3.41Å; T218-T222 PolarHBondContact O-OG1 3.05Å; D219-T222 WeakPolarHBondContact O-CB 3.43Å; D219-T222 PolarHBondContact O-N 3.26Å; H220-T222 PolarHBondContact O-N 2.88Å; T222-L224 VanDerWaalsContact C-N 3.3Å; T222-L224 PolarHBondContact O-N 2.94Å; T222-L225 WeakPolarHBondContact O-CB 3.43Å; T222-L225 PolarHBondContact O-N 2.91Å; T222-L225 VanDerWaalsContact O-N 3.14Å; T222-H265 PolarHBondContact OG1-CE1 3.4Å
223	Q	96.6	Very high	96.9	Very high	110 Å²	110	45.6 Å²	45.6	51%	0.514	23%	0.227	S	C	.	.	H	α-helix	trans	-62.6	-35.4	174.8	-70.2	172	-1.1	0	0	112.4	D219 H220 L225 I226 Q227	D219-Q223 WeakPolarHBondContact O-CG 3.49Å; D219-Q223 PolarHBondContact O-N 3.17Å; H220-Q223 PolarHBondContact O-N 3.07Å; H220-Q223 VanDerWaalsContact O-N 3.13Å; Q223-L225 PolarHBondContact O-N 2.54Å; Q223-I226 WeakPolarHBondContact O-CB 3.47Å; Q223-I226 PolarHBondContact O-N 2.97Å; Q223-Q227 PolarHBondContact O-N 2.83Å
224	L	97.9	Very high	96.6	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-61.5	-27.7	174.7	-71.9	172.5	0	0	0	112.8	I181 A213 A215 H220 T222 I226 Q227 A228	I181-L224 HydrophobicContact CD1-CB 3.99Å; I181-L224 HydrophobicContact CG2-CD1 4.1Å; A213-L224 HydrophobicContact CB-CD1 3.96Å; A213-L224 HydrophobicContact CB-CD2 3.77Å; A213-L224 HydrophobicContact CB-CG 4.47Å; A215-L224 HydrophobicContact CB-CD1 3.9Å; H220-L224 WeakPolarHBondContact O-CG 3.22Å; H220-L224 PolarHBondContact O-N 2.62Å; T222-L224 VanDerWaalsContact C-N 3.3Å; T222-L224 PolarHBondContact O-N 2.94Å; L224-I226 VanDerWaalsContact C-N 3.34Å; L224-Q227 PolarHBondContact O-N 3.36Å; L224-A228 WeakPolarHBondContact O-CB 3.41Å; L224-A228 PolarHBondContact O-N 2.75Å
225	L	97.3	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-29.8	173.6	-60.1	-170.5	0	0	0	113	I181 T222 Q223 S229 L240 F269 Y272 L273 L276	I181-L225 HydrophobicContact CD1-CD2 3.67Å; T222-L225 WeakPolarHBondContact O-CB 3.43Å; T222-L225 PolarHBondContact O-N 2.91Å; T222-L225 VanDerWaalsContact O-N 3.14Å; Q223-L225 PolarHBondContact O-N 2.54Å; L225-S229 PolarHBondContact O-N 3.38Å; L225-L240 HydrophobicContact CD2-CD2 4.3Å; L225-F269 HydrophobicContact CD1-CD2 3.65Å; L225-F269 HydrophobicContact CD1-CE2 3.44Å; L225-F269 VanDerWaalsContact CD1-CE2 3.44Å; L225-F269 HydrophobicContact CD1-CZ 4.2Å; L225-F269 HydrophobicContact CD2-CE2 4.24Å; L225-F269 HydrophobicContact CG-CD2 4.37Å; L225-F269 HydrophobicContact CG-CE2 3.83Å; L225-Y272 HydrophobicContact CB-CD2 3.97Å; L225-Y272 HydrophobicContact CB-CE2 4.2Å; L225-Y272 HydrophobicContact CB-CG 4.35Å; L225-Y272 HydrophobicContact CD1-CD2 4.23Å; L225-Y272 HydrophobicContact CD1-CG 4.11Å; L225-L273 HydrophobicContact CD1-CD2 3.85Å; L225-L273 HydrophobicContact CD1-CG 3.96Å; L225-L273 HydrophobicContact CD2-CD2 3.62Å; L225-L273 HydrophobicContact CG-CD2 4.42Å; L225-L276 HydrophobicContact CB-CD1 4.19Å; L225-L276 HydrophobicContact CD2-CD1 4.13Å
226	I	94.7	Very high	96.3	Very high	60 Å²	60	55.6 Å²	55.6	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-68.9	-41.2	174.2	-52.3	174.6	0	0	0	109.8	Q223 L224 S229 A230 Y272	Q223-I226 WeakPolarHBondContact O-CB 3.47Å; Q223-I226 PolarHBondContact O-N 2.97Å; L224-I226 VanDerWaalsContact C-N 3.34Å; I226-S229 PolarHBondContact O-N 2.96Å; I226-A230 PolarHBondContact O-N 2.63Å; I226-Y272 HydrophobicContact CG1-CE1 4.2Å
227	Q	96.3	Very high	96.3	Very high	112 Å²	112	49.5 Å²	49.5	52%	0.523	25%	0.249	S	C	.	.	H	α-helix	trans	-67.7	-41.6	174.9	-63.1	178.8	13.6	0	0	111.4	Q223 L224 S229 A230 M231	Q223-Q227 PolarHBondContact O-N 2.83Å; L224-Q227 PolarHBondContact O-N 3.36Å; Q227-S229 VanDerWaalsContact C-N 3.33Å; Q227-S229 PolarHBondContact O-N 3.08Å; Q227-A230 WeakPolarHBondContact O-CB 3.4Å; Q227-A230 PolarHBondContact O-N 3.42Å; Q227-A230 VanDerWaalsContact O-N 3.14Å; Q227-M231 WeakPolarHBondContact O-CG 3.44Å; Q227-M231 PolarHBondContact O-N 2.89Å
228	A	97.4	Very high	96.3	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-43.6	174	0	0	0	0	0	112	L179 L224 A230 M231 M232	L179-A228 HydrophobicContact CD1-CB 4.07Å; L224-A228 WeakPolarHBondContact O-CB 3.41Å; L224-A228 PolarHBondContact O-N 2.75Å; A228-A230 VanDerWaalsContact C-N 3.32Å; A228-A230 PolarHBondContact O-N 2.64Å; A228-M231 PolarHBondContact O-N 2.89Å; A228-M232 WeakPolarHBondContact O-CB 3.46Å; A228-M232 VanDerWaalsContact O-CG 3.23Å; A228-M232 WeakPolarHBondContact O-CG 3.4Å; A228-M232 PolarHBondContact O-N 2.99Å
229	S	96	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-40.7	174.8	-173.1	0	0	0	0	112.5	Y68 L225 I226 Q227 S233 F280	Y68-S229 WeakPolarHBondContact CD2-OG 3.4Å; L225-S229 PolarHBondContact O-N 3.38Å; I226-S229 PolarHBondContact O-N 2.96Å; Q227-S229 VanDerWaalsContact C-N 3.33Å; Q227-S229 PolarHBondContact O-N 3.08Å; S229-S233 PolarHBondContact O-N 3.32Å; S229-S233 VanDerWaalsContact O-N 3.16Å; S229-F280 WeakPolarHBondContact O-CZ 3.4Å
230	A	95.4	Very high	96.5	Very high	19 Å²	19	42 Å²	42	16%	0.157	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-50.7	174.2	0	0	0	0	0	111.2	Y68 I226 Q227 A228 M232 S233 E234	Y68-A230 HydrophobicContact CD1-CB 4.25Å; Y68-A230 HydrophobicContact CD2-CB 4.17Å; Y68-A230 HydrophobicContact CE1-CB 3.82Å; Y68-A230 HydrophobicContact CE2-CB 3.7Å; Y68-A230 HydrophobicContact CG-CB 4.41Å; I226-A230 PolarHBondContact O-N 2.63Å; Q227-A230 WeakPolarHBondContact O-CB 3.4Å; Q227-A230 PolarHBondContact O-N 3.42Å; Q227-A230 VanDerWaalsContact O-N 3.14Å; A228-A230 VanDerWaalsContact C-N 3.32Å; A228-A230 PolarHBondContact O-N 2.64Å; A230-M232 VanDerWaalsContact C-N 3.33Å; A230-M232 PolarHBondContact O-N 3.15Å; A230-S233 WeakPolarHBondContact O-CB 3Å; A230-S233 PolarHBondContact O-N 3.13Å; A230-S233 PolarHBondContact O-OG 2.99Å; A230-E234 PolarHBondContact O-N 3.48Å
231	M	96.7	Very high	96.5	Very high	65 Å²	65	39.6 Å²	39.6	32%	0.32	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-39.3	-179.7	-64.6	173.2	70.5	0	0	112.6	L179 A211 Q227 A228 S233 E234 S235 Y237	L179-M231 HydrophobicContact CD2-CE 4.05Å; L179-M231 HydrophobicContact CD2-SD 4.07Å; A211-M231 HydrophobicContact CB-CE 3.64Å; Q227-M231 WeakPolarHBondContact O-CG 3.44Å; Q227-M231 PolarHBondContact O-N 2.89Å; A228-M231 PolarHBondContact O-N 2.89Å; M231-S233 VanDerWaalsContact C-N 3.25Å; M231-S233 PolarHBondContact O-N 3.37Å; M231-E234 PolarHBondContact O-N 3.07Å; M231-S235 PolarHBondContact O-N 2.99Å; M231-S235 VanDerWaalsContact O-N 3.12Å; M231-Y237 HydrophobicContact CB-CE2 4.15Å; M231-Y237 WeakPolarHBondContact CE-OH 3.31Å; M231-Y237 WeakPolarHBondContact O-CE2 3.2Å
232	M	96.5	Very high	96.6	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.054	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-21.3	175.8	-67.4	176.9	178.3	0	0	113.2	L179 A228 A230 Y237 L240 L276 F280 V282	L179-M232 HydrophobicContact CD1-CE 3.51Å; L179-M232 HydrophobicContact CD1-CG 3.81Å; L179-M232 HydrophobicContact CD1-SD 4.45Å; A228-M232 WeakPolarHBondContact O-CB 3.46Å; A228-M232 VanDerWaalsContact O-CG 3.23Å; A228-M232 WeakPolarHBondContact O-CG 3.4Å; A228-M232 PolarHBondContact O-N 2.99Å; A230-M232 VanDerWaalsContact C-N 3.33Å; A230-M232 PolarHBondContact O-N 3.15Å; M232-Y237 HydrophobicContact CB-CD2 4.37Å; M232-Y237 HydrophobicContact CG-CD2 3.87Å; M232-Y237 HydrophobicContact CG-CG 4.21Å; M232-L240 HydrophobicContact CE-CB 3.97Å; M232-L240 HydrophobicContact CE-CD2 4.08Å; M232-L240 HydrophobicContact CE-CG 4.45Å; M232-L276 HydrophobicContact SD-CD2 4.49Å; M232-F280 HydrophobicContact CB-CB 4.4Å; M232-F280 HydrophobicContact CB-CD1 3.42Å; M232-F280 VanDerWaalsContact CB-CD1 3.42Å; M232-F280 HydrophobicContact CB-CD2 3.86Å; M232-F280 HydrophobicContact CB-CE1 3.5Å; M232-F280 VanDerWaalsContact CB-CE1 3.5Å; M232-F280 HydrophobicContact CB-CE2 3.91Å; M232-F280 HydrophobicContact CB-CG 3.62Å; M232-F280 HydrophobicContact CB-CZ 3.74Å; M232-F280 HydrophobicContact CG-CD2 4.36Å; M232-F280 HydrophobicContact CG-CG 4.28Å; M232-F280 WeakPolarHBondContact O-CD1 3.36Å; M232-F280 WeakPolarHBondContact O-CE1 3.38Å; M232-F280 HydrophobicContact SD-CB 4.07Å; M232-F280 HydrophobicContact SD-CD2 3.51Å; M232-F280 VanDerWaalsContact SD-CD2 3.51Å; M232-F280 HydrophobicContact SD-CE2 4.09Å; M232-F280 HydrophobicContact SD-CG 3.81Å; M232-V282 HydrophobicContact CE-CG1 4.1Å; M232-V282 HydrophobicContact CE-CG2 4.05Å; M232-V282 HydrophobicContact SD-CG1 4.25Å; M232-V282 HydrophobicContact SD-CG2 4.38Å
233	S	93.5	Very high	96.6	Very high	49 Å²	49	38.4 Å²	38.4	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-80.2	-20	172.9	77.6	0	0	0	0	113.8	S229 A230 M231	S229-S233 PolarHBondContact O-N 3.32Å; S229-S233 VanDerWaalsContact O-N 3.16Å; A230-S233 WeakPolarHBondContact O-CB 3Å; A230-S233 PolarHBondContact O-N 3.13Å; A230-S233 PolarHBondContact O-OG 2.99Å; M231-S233 VanDerWaalsContact C-N 3.25Å; M231-S233 PolarHBondContact O-N 3.37Å
234	E	92.7	Very high	96.5	Very high	160 Å²	160	33.1 Å²	33.1	75%	0.748	17%	0.166	S	C	*	.	H	α-helix	trans	-99.1	-19.2	179.8	-65.4	-179.8	174.2	0	0	113.7	A230 M231	A230-E234 PolarHBondContact O-N 3.48Å; M231-E234 PolarHBondContact O-N 3.07Å
235	S	94.2	Very high	96.3	Very high	46 Å²	46	32.6 Å²	32.6	32%	0.322	16%	0.163	S	C	.	.	S	Bend	trans	-154	145.6	-176.1	-79	0	0	0	0	111.2	M231 Y237	M231-S235 PolarHBondContact O-N 2.99Å; M231-S235 VanDerWaalsContact O-N 3.12Å; S235-Y237 WeakPolarHBondContact O-CD2 3.23Å; S235-Y237 PolarHBondContact O-N 2.75Å
236	R	95.2	Very high	96.1	Very high	129 Å²	129	32.6 Å²	32.6	49%	0.487	16%	0.164	S	C	.	.			trans	-68.8	117.9	174.7	-173.5	-177.5	179.4	-158.4	9.3	111	G174 E175 K177	G174-R236 PolarHBondContact O-NH2 3.37Å; G174-R236 VanDerWaalsContact O-NH2 3.11Å; E175-R236 PolarHBondContact O-NH1 3.21Å; E175-R236 IonicContact OE2-NH1 2.72Å; E175-R236 PolarHBondContact OE2-NH1 3.3Å; K177-R236 PolarHBondContact N-O 3.06Å; K177-R236 VanDerWaalsContact N-O 3.07Å
237	Y	97.9	Very high	96.1	Very high	23 Å²	23	30.6 Å²	30.6	9%	0.09	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151	163.9	-70.8	-96.6	0	0	0	109	K177 L179 A211 M231 M232 S235 V282	K177-Y237 VanDerWaalsContact C-CD1 3.44Å; K177-Y237 HydrophobicContact CB-CD1 3.4Å; K177-Y237 HydrophobicContact CB-CE1 3.35Å; K177-Y237 HydrophobicContact CB-CG 4.02Å; K177-Y237 HydrophobicContact CD-CE1 4.3Å; K177-Y237 HydrophobicContact CG-CE1 4.46Å; K177-Y237 CarbonylContact O-C 3.59Å; K177-Y237 VanDerWaalsContact O-CA 3.29Å; K177-Y237 WeakPolarHBondContact O-CA 3.16Å; K177-Y237 WeakPolarHBondContact O-CB 3.15Å; K177-Y237 WeakPolarHBondContact O-CD1 3.33Å; L179-Y237 HydrophobicContact CB-CD1 4.31Å; L179-Y237 HydrophobicContact CD1-CD1 3.65Å; L179-Y237 HydrophobicContact CD1-CD2 4.11Å; L179-Y237 HydrophobicContact CD1-CE1 3.84Å; L179-Y237 HydrophobicContact CD1-CE2 4.27Å; L179-Y237 HydrophobicContact CD1-CG 3.82Å; L179-Y237 HydrophobicContact CD2-CE1 4.39Å; L179-Y237 HydrophobicContact CG-CD1 3.62Å; L179-Y237 HydrophobicContact CG-CE1 3.55Å; L179-Y237 HydrophobicContact CG-CG 4.31Å; A211-Y237 HydrophobicContact CB-CE1 4.29Å; M231-Y237 HydrophobicContact CB-CE2 4.15Å; M231-Y237 WeakPolarHBondContact CE-OH 3.31Å; M231-Y237 WeakPolarHBondContact O-CE2 3.2Å; M232-Y237 HydrophobicContact CB-CD2 4.37Å; M232-Y237 HydrophobicContact CG-CD2 3.87Å; M232-Y237 HydrophobicContact CG-CG 4.21Å; S235-Y237 WeakPolarHBondContact O-CD2 3.23Å; S235-Y237 PolarHBondContact O-N 2.75Å; Y237-V282 WeakPolarHBondContact O-CG1 3.46Å
238	A	98	Very high	96.1	Very high	6 Å²	6	26 Å²	26	5%	0.05	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-26.9	173.9	0	0	0	0	0	112.1	I123 C165 K177 A283	I123-A238 HydrophobicContact CD1-CB 4.39Å; C165-A238 HydrophobicContact CB-CB 3.95Å; K177-A238 PolarHBondContact O-N 3.44Å; A238-A283 PolarHBondContact O-N 3.33Å
239	L	98.8	Very high	96	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.7	-172.5	-178.5	69.2	0	0	0	112	I123 L161 C165 C178 L179 V241 A283 V285	I123-L239 HydrophobicContact CD1-CB 4.34Å; L161-L239 VanDerWaalsContact C-CD2 3.46Å; L161-L239 HydrophobicContact CB-CD2 3.66Å; L161-L239 WeakPolarHBondContact O-CD2 3.34Å; C165-L239 HydrophobicContact CB-CB 3.71Å; C165-L239 HydrophobicContact CB-CD2 4.24Å; C178-L239 WeakPolarHBondContact CA-O 3.25Å; L179-L239 PolarHBondContact N-O 2.98Å; L239-V241 HydrophobicContact CD1-CG2 4.4Å; L239-V241 HydrophobicContact CD2-CG2 3.77Å; L239-V241 HydrophobicContact CG-CG2 3.9Å; L239-A283 WeakPolarHBondContact CA-O 3.46Å; L239-A283 HydrophobicContact CD1-CB 3.9Å; L239-V285 HydrophobicContact CD1-CB 4.33Å; L239-V285 HydrophobicContact CD1-CG2 3.74Å
240	L	98.8	Very high	95.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.8	165.7	172.3	60.3	0	0	0	109.6	L179 I181 L225 M232 L273 L276 A283 V284 V285	L179-L240 HydrophobicContact CB-CD1 3.67Å; L179-L240 CarbonylContact O-C 3.45Å; L179-L240 WeakPolarHBondContact O-CA 3.49Å; I181-L240 HydrophobicContact CD1-CD1 4.22Å; I181-L240 HydrophobicContact CG1-CD1 4.42Å; L225-L240 HydrophobicContact CD2-CD2 4.3Å; M232-L240 HydrophobicContact CE-CB 3.97Å; M232-L240 HydrophobicContact CE-CD2 4.08Å; M232-L240 HydrophobicContact CE-CG 4.45Å; L240-L273 HydrophobicContact CD2-CD2 3.59Å; L240-L273 HydrophobicContact CG-CD2 4.44Å; L240-L276 HydrophobicContact CD2-CD1 3.83Å; L240-A283 PolarHBondContact N-O 3.47Å; L240-V284 HydrophobicContact CB-CG2 4.38Å; L240-V284 HydrophobicContact CD2-CG2 4.38Å; L240-V284 WeakPolarHBondContact O-CA 3.49Å; L240-V285 PolarHBondContact O-N 2.74Å
241	V	98.8	Very high	95.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.8	175.4	-178.8	0	0	0	0	110.8	C158 L179 Y180 I181 L239 D243 V285	C158-V241 HydrophobicContact CB-CG1 3.86Å; L179-V241 PolarHBondContact O-N 2.84Å; Y180-V241 HydrophobicContact CD1-CG1 4.48Å; Y180-V241 HydrophobicContact CD2-CB 3.77Å; Y180-V241 HydrophobicContact CD2-CG1 3.97Å; Y180-V241 HydrophobicContact CD2-CG2 3.99Å; Y180-V241 HydrophobicContact CE1-CG1 4.18Å; Y180-V241 HydrophobicContact CE2-CB 3.97Å; Y180-V241 HydrophobicContact CE2-CG1 3.66Å; Y180-V241 HydrophobicContact CE2-CG2 4.15Å; Y180-V241 HydrophobicContact CG-CB 4.12Å; Y180-V241 HydrophobicContact CG-CG1 4.38Å; I181-V241 PolarHBondContact N-O 2.79Å; L239-V241 HydrophobicContact CD1-CG2 4.4Å; L239-V241 HydrophobicContact CD2-CG2 3.77Å; L239-V241 HydrophobicContact CG-CG2 3.9Å; V241-D243 HydrophobicContact CG1-CB 4.22Å; V241-V285 CarbonylContact C-O 3.55Å; V241-V285 VanDerWaalsContact CA-O 3.31Å; V241-V285 WeakPolarHBondContact CA-O 3.29Å
242	V	98.6	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	99.3	165.9	-170.4	0	0	0	0	109.9	I181 A245 F269 L273 V285 I286 T287	I181-V242 HydrophobicContact CB-CG2 4.43Å; I181-V242 HydrophobicContact CG2-CG1 4.44Å; I181-V242 CarbonylContact O-C 3.56Å; I181-V242 WeakPolarHBondContact O-CA 3.36Å; V242-A245 HydrophobicContact CB-CB 4.48Å; V242-A245 HydrophobicContact CG1-CB 4.04Å; V242-F269 HydrophobicContact CG1-CE1 4.42Å; V242-F269 HydrophobicContact CG1-CZ 4.05Å; V242-F269 HydrophobicContact CG2-CZ 4.28Å; V242-L273 HydrophobicContact CG2-CD1 4.26Å; V242-L273 HydrophobicContact CG2-CD2 4.09Å; V242-V285 PolarHBondContact N-O 2.73Å; V242-I286 HydrophobicContact CB-CG2 4.1Å; V242-I286 HydrophobicContact CG2-CG2 4.3Å; V242-T287 PolarHBondContact O-N 2.59Å
243	D	97.9	Very high	95.2	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	97.9	-177.4	-167.6	18.8	0	0	0	111.3	T155 Y180 I181 D182 T183 V241 T287	T155-D243 WeakPolarHBondContact CA-OD2 3.23Å; T155-D243 WeakPolarHBondContact CB-OD2 3.34Å; T155-D243 WeakPolarHBondContact CG2-OD2 3.46Å; T155-D243 PolarHBondContact OG1-OD2 3.47Å; Y180-D243 HydrophobicContact CE1-CB 3.93Å; Y180-D243 PolarHBondContact OH-OD2 3.04Å; I181-D243 PolarHBondContact O-N 3.18Å; D182-D243 WeakPolarHBondContact CA-O 3.4Å; T183-D243 PolarHBondContact N-O 3.49Å; T183-D243 PolarHBondContact OG1-O 3.43Å; V241-D243 HydrophobicContact CG1-CB 4.22Å; D243-T287 HydrophobicContact CB-CG2 3.92Å; D243-T287 WeakPolarHBondContact OD1-CB 3.45Å; D243-T287 WeakPolarHBondContact OD1-CG2 3.32Å; D243-T287 PolarHBondContact OD1-OG1 3.17Å
244	S	94.9	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	cis	-109.8	149.2	-5.5	73.4	0	0	0	0	112.6	T183 E184 T246 A247 T287	T183-S244 VanDerWaalsContact CG2-O 3.24Å; T183-S244 WeakPolarHBondContact CG2-O 3.33Å; T183-S244 PolarHBondContact OG1-N 3.12Å; T183-S244 PolarHBondContact OG1-O 3.33Å; E184-S244 VanDerWaalsContact OE1-CB 3.29Å; E184-S244 WeakPolarHBondContact OE1-CB 3.47Å; E184-S244 PolarHBondContact OE1-OG 2.66Å; S244-T246 PolarHBondContact O-N 3.39Å; S244-A247 WeakPolarHBondContact OG-CB 3.28Å; S244-A247 PolarHBondContact OG-N 2.93Å; S244-T287 VanDerWaalsContact CA-OG1 3.23Å; S244-T287 WeakPolarHBondContact CA-OG1 3.48Å; S244-T287 WeakPolarHBondContact CB-O 3.25Å; S244-T287 WeakPolarHBondContact CB-OG1 3.19Å
245	A	93.8	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.1	-177.7	0	0	0	0	0	113.9	V242 Y249 F269 I286 T287 M314	V242-A245 HydrophobicContact CB-CB 4.48Å; V242-A245 HydrophobicContact CG1-CB 4.04Å; A245-Y249 VanDerWaalsContact O-CD2 3.29Å; A245-Y249 WeakPolarHBondContact O-CD2 3.46Å; A245-F269 HydrophobicContact CB-CE1 4.36Å; A245-I286 HydrophobicContact CB-CB 3.94Å; A245-I286 HydrophobicContact CB-CG2 4.28Å; A245-T287 PolarHBondContact N-O 2.82Å; A245-M314 HydrophobicContact CB-CE 4.37Å
246	T	92.9	Very high	94.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	6	-173.6	74.3	0	0	0	0	115.6	S244 R250 N288 V309 M314	S244-T246 PolarHBondContact O-N 3.39Å; T246-R250 WeakPolarHBondContact O-CG 3.42Å; T246-R250 PolarHBondContact O-NE 3.02Å; T246-R250 VanDerWaalsContact O-NE 3.08Å; T246-R250 PolarHBondContact OG1-NH2 3.24Å; T246-N288 VanDerWaalsContact CG2-OD1 3.25Å; T246-N288 WeakPolarHBondContact CG2-OD1 3.29Å; T246-N288 PolarHBondContact OG1-OD1 3.17Å; T246-V309 HydrophobicContact CG2-CG1 4.46Å; T246-M314 HydrophobicContact CG2-CE 3.37Å
247	A	93.9	Very high	94.7	Very high	18 Å²	18	37.3 Å²	37.3	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-65.2	-60	177.3	0	0	0	0	0	111.7	E184 S244 Y249 R250	E184-A247 HydrophobicContact CG-CB 3.94Å; S244-A247 WeakPolarHBondContact OG-CB 3.28Å; S244-A247 PolarHBondContact OG-N 2.93Å; A247-Y249 VanDerWaalsContact C-N 3.27Å; A247-Y249 PolarHBondContact O-N 3.02Å; A247-R250 WeakPolarHBondContact O-CB 3.47Å; A247-R250 PolarHBondContact O-N 2.81Å
248	L	95.9	Very high	94.5	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-38.5	-177.4	-58.2	171.3	0	0	0	111.9	T183 A215 T218 Q221 R250 T251 D252	T183-L248 HydrophobicContact CG2-CD1 3.85Å; T183-L248 HydrophobicContact CG2-CG 4.3Å; A215-L248 HydrophobicContact CB-CD1 3.88Å; T218-L248 HydrophobicContact CG2-CB 3.79Å; Q221-L248 HydrophobicContact CB-CD1 4.29Å; L248-R250 PolarHBondContact O-N 3.07Å; L248-T251 PolarHBondContact O-N 3.39Å; L248-T251 PolarHBondContact O-OG1 2.87Å; L248-D252 WeakPolarHBondContact O-CB 3.39Å; L248-D252 VanDerWaalsContact O-CG 3.24Å; L248-D252 PolarHBondContact O-N 2.87Å
249	Y	94.8	Very high	94.3	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.02	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-12.4	176.4	-74.9	-89.2	0	0	0	115.2	T218 A245 A247 Y253 R262 H265 L266 F269	T218-Y249 HydrophobicContact CG2-CD1 3.85Å; T218-Y249 HydrophobicContact CG2-CD2 3.71Å; T218-Y249 HydrophobicContact CG2-CE1 3.99Å; T218-Y249 HydrophobicContact CG2-CE2 3.84Å; T218-Y249 HydrophobicContact CG2-CG 3.73Å; A245-Y249 VanDerWaalsContact O-CD2 3.29Å; A245-Y249 WeakPolarHBondContact O-CD2 3.46Å; A247-Y249 VanDerWaalsContact C-N 3.27Å; A247-Y249 PolarHBondContact O-N 3.02Å; Y249-Y253 HydrophobicContact CD1-CD2 4.05Å; Y249-Y253 AromaticContact CD1-CE2 3.83Å; Y249-Y253 HydrophobicContact CD1-CE2 3.83Å; Y249-Y253 HydrophobicContact CE1-CE2 4.17Å; Y249-R262 HydrophobicContact CD1-CG 3.94Å; Y249-R262 WeakPolarHBondContact O-CD 3.5Å; Y249-H265 HydrophobicContact CE1-CB 3.98Å; Y249-H265 AromaticContact CE1-ND1 3.58Å; Y249-H265 AromaticContact CZ-ND1 3.67Å; Y249-H265 PolarHBondContact OH-ND1 3.26Å; Y249-H265 VanDerWaalsContact OH-ND1 3.13Å; Y249-H265 PolarHBondContact OH-O 3.14Å; Y249-L266 HydrophobicContact CD1-CB 4.18Å; Y249-L266 HydrophobicContact CD2-CD1 4.3Å; Y249-L266 HydrophobicContact CE1-CB 3.75Å; Y249-L266 HydrophobicContact CE1-CD1 4.27Å; Y249-L266 HydrophobicContact CE2-CD1 3.98Å; Y249-F269 WeakPolarHBondContact OH-CB 3.27Å
250	R	88.4	Confident	94.1	Very high	76 Å²	76	47.4 Å²	47.4	29%	0.287	28%	0.276	S	S	.	.	H	α-helix	trans	-93.2	-25.7	175.9	-63.3	173	-147	-166.8	2.4	113.8	T246 A247 L248 Q289	T246-R250 WeakPolarHBondContact O-CG 3.42Å; T246-R250 PolarHBondContact O-NE 3.02Å; T246-R250 VanDerWaalsContact O-NE 3.08Å; T246-R250 PolarHBondContact OG1-NH2 3.24Å; A247-R250 WeakPolarHBondContact O-CB 3.47Å; A247-R250 PolarHBondContact O-N 2.81Å; L248-R250 PolarHBondContact O-N 3.07Å; R250-Q289 VanDerWaalsContact NH2-CG 3.3Å
251	T	91.1	Very high	94	Very high	96 Å²	96	49.9 Å²	49.9	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-92.1	-43.5	179	45.4	0	0	0	0	110.7	L248 Y253	L248-T251 PolarHBondContact O-N 3.39Å; L248-T251 PolarHBondContact O-OG1 2.87Å; T251-Y253 VanDerWaalsContact C-N 3.29Å; T251-Y253 PolarHBondContact O-N 3.1Å
252	D	94.8	Very high	93.8	Very high	57 Å²	57	52.7 Å²	52.7	31%	0.305	31%	0.307	S	S	.	.	S	Bend	trans	-77	-19.3	-170.6	-59.7	16.5	0	0	0	112	N217 T218 L248	N217-D252 WeakPolarHBondContact CA-OD2 3.46Å; N217-D252 WeakPolarHBondContact CB-OD2 3.18Å; T218-D252 HydrophobicContact CG2-CB 4.21Å; T218-D252 PolarHBondContact N-OD2 2.92Å; L248-D252 WeakPolarHBondContact O-CB 3.39Å; L248-D252 VanDerWaalsContact O-CG 3.24Å; L248-D252 PolarHBondContact O-N 2.87Å
253	Y	94.8	Very high	93.7	Very high	36 Å²	36	54.3 Å²	54.3	14%	0.141	31%	0.314	C	S	.	.	S	Bend	trans	-127.8	110.1	176.9	-61.2	-78.1	0	0	0	111.5	T218 Y249 T251 E258 A261 R262 H265	T218-Y253 HydrophobicContact CG2-CE2 4.03Å; Y249-Y253 HydrophobicContact CD1-CD2 4.05Å; Y249-Y253 AromaticContact CD1-CE2 3.83Å; Y249-Y253 HydrophobicContact CD1-CE2 3.83Å; Y249-Y253 HydrophobicContact CE1-CE2 4.17Å; T251-Y253 VanDerWaalsContact C-N 3.29Å; T251-Y253 PolarHBondContact O-N 3.1Å; Y253-E258 VanDerWaalsContact CA-OE2 3.27Å; Y253-E258 WeakPolarHBondContact CA-OE2 3.45Å; Y253-E258 HydrophobicContact CD1-CB 4.46Å; Y253-A261 HydrophobicContact CE1-CB 4.36Å; Y253-R262 HydrophobicContact CD1-CB 4.07Å; Y253-R262 HydrophobicContact CD2-CB 3.85Å; Y253-R262 HydrophobicContact CD2-CG 3.59Å; Y253-R262 HydrophobicContact CE2-CB 4.48Å; Y253-R262 HydrophobicContact CE2-CG 4.32Å; Y253-R262 HydrophobicContact CG-CB 3.59Å; Y253-R262 HydrophobicContact CG-CG 3.78Å; Y253-H265 HydrophobicContact CE2-CB 4.33Å; Y253-H265 WeakPolarHBondContact OH-CB 3.45Å; Y253-H265 PolarHBondContact OH-CD2 3.47Å
254	S	90.2	Very high	93.6	Very high	79 Å²	79	60 Å²	60	55%	0.552	34%	0.342	S	S	*	.			trans	-108.3	138.1	-168.6	-80.2	0	0	0	0	114.1	E258	S254-E258 PolarHBondContact N-OE2 3.46Å
255	G	89	Confident	93.7	Very high	62 Å²	62	60.7 Å²	60.7	64%	0.639	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-170.8	174.9	0	0	0	0	0	115.2
256	R	90.2	Very high	93.8	Very high	230 Å²	230	60.9 Å²	60.9	87%	0.868	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-25.5	-177.9	-68.8	-175.5	178.7	-173.9	-1.4	113.4	L259	R256-L259 VanDerWaalsContact O-CB 3.28Å; R256-L259 WeakPolarHBondContact O-CB 3.41Å; R256-L259 PolarHBondContact O-N 3.07Å
257	G	94.5	Very high	94	Very high	77 Å²	77	62.7 Å²	62.7	79%	0.794	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-38.4	-177.7	0	0	0	0	0	113.4	L259	G257-L259 VanDerWaalsContact C-N 3.3Å; G257-L259 PolarHBondContact O-N 3.47Å
258	E	95.4	Very high	94.1	Very high	89 Å²	89	69.8 Å²	69.8	42%	0.416	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0	-177.6	-64.4	177.3	-174.2	0	0	113.5	Y253 S254 S260 A261 R262	Y253-E258 VanDerWaalsContact CA-OE2 3.27Å; Y253-E258 WeakPolarHBondContact CA-OE2 3.45Å; Y253-E258 HydrophobicContact CD1-CB 4.46Å; S254-E258 PolarHBondContact N-OE2 3.46Å; E258-S260 VanDerWaalsContact C-N 3.27Å; E258-S260 PolarHBondContact O-N 2.96Å; E258-A261 PolarHBondContact O-N 3.24Å; E258-A261 VanDerWaalsContact O-N 3.16Å; E258-R262 WeakPolarHBondContact O-CB 3.36Å; E258-R262 PolarHBondContact O-N 2.94Å
259	L	92.8	Very high	94.2	Very high	77 Å²	77	69 Å²	69	40%	0.403	38%	0.38	S	S	.	.	H	α-helix	trans	-51.9	-44.9	-179.8	177.1	61.3	0	0	0	112	R256 G257 Q263	R256-L259 VanDerWaalsContact O-CB 3.28Å; R256-L259 WeakPolarHBondContact O-CB 3.41Å; R256-L259 PolarHBondContact O-N 3.07Å; G257-L259 VanDerWaalsContact C-N 3.3Å; G257-L259 PolarHBondContact O-N 3.47Å; L259-Q263 HydrophobicContact CD1-CG 3.91Å; L259-Q263 HydrophobicContact CG-CG 4.42Å; L259-Q263 WeakPolarHBondContact O-CB 3.38Å; L259-Q263 WeakPolarHBondContact O-CG 3.49Å; L259-Q263 PolarHBondContact O-N 2.91Å
260	S	94.7	Very high	94.4	Very high	75 Å²	75	68.9 Å²	68.9	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-62.6	-49.2	-180	-171.6	0	0	0	0	112	E258 R262 Q263 M264	E258-S260 VanDerWaalsContact C-N 3.27Å; E258-S260 PolarHBondContact O-N 2.96Å; S260-R262 PolarHBondContact O-N 3.2Å; S260-Q263 PolarHBondContact O-N 3.07Å; S260-M264 WeakPolarHBondContact O-CG 3.44Å; S260-M264 PolarHBondContact O-N 2.65Å
261	A	95.7	Very high	94.7	Very high	52 Å²	52	73.4 Å²	73.4	43%	0.43	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-45.9	179.1	0	0	0	0	0	111.6	Y253 E258 Q263 M264 H265	Y253-A261 HydrophobicContact CE1-CB 4.36Å; E258-A261 PolarHBondContact O-N 3.24Å; E258-A261 VanDerWaalsContact O-N 3.16Å; A261-Q263 PolarHBondContact O-N 3.41Å; A261-M264 PolarHBondContact O-N 2.94Å; A261-H265 WeakPolarHBondContact O-CB 3.5Å; A261-H265 PolarHBondContact O-N 3.11Å
262	R	95.8	Very high	95	Very high	59 Å²	59	70.9 Å²	70.9	22%	0.223	38%	0.377	C	S	.	.	H	α-helix	trans	-55.7	-49.3	174.6	-172.4	-176.5	71.7	-158.3	10.7	112.2	Y249 Y253 E258 S260 H265 L266	Y249-R262 HydrophobicContact CD1-CG 3.94Å; Y249-R262 WeakPolarHBondContact O-CD 3.5Å; Y253-R262 HydrophobicContact CD1-CB 4.07Å; Y253-R262 HydrophobicContact CD2-CB 3.85Å; Y253-R262 HydrophobicContact CD2-CG 3.59Å; Y253-R262 HydrophobicContact CE2-CB 4.48Å; Y253-R262 HydrophobicContact CE2-CG 4.32Å; Y253-R262 HydrophobicContact CG-CB 3.59Å; Y253-R262 HydrophobicContact CG-CG 3.78Å; E258-R262 WeakPolarHBondContact O-CB 3.36Å; E258-R262 PolarHBondContact O-N 2.94Å; S260-R262 PolarHBondContact O-N 3.2Å; R262-H265 PolarHBondContact O-N 3.35Å; R262-L266 WeakPolarHBondContact O-CB 3.48Å; R262-L266 PolarHBondContact O-N 3.05Å
263	Q	95.3	Very high	95.1	Very high	33 Å²	33	68.2 Å²	68.2	15%	0.154	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-40.4	-178.3	-72.9	-51.1	121.9	0	0	111.6	L259 S260 A261 A267 G310 I313	L259-Q263 HydrophobicContact CD1-CG 3.91Å; L259-Q263 HydrophobicContact CG-CG 4.42Å; L259-Q263 WeakPolarHBondContact O-CB 3.38Å; L259-Q263 WeakPolarHBondContact O-CG 3.49Å; L259-Q263 PolarHBondContact O-N 2.91Å; S260-Q263 PolarHBondContact O-N 3.07Å; A261-Q263 PolarHBondContact O-N 3.41Å; Q263-A267 WeakPolarHBondContact O-CB 3.39Å; Q263-A267 PolarHBondContact O-N 3.28Å; Q263-G310 PolarHBondContact NE2-O 2.87Å; Q263-I313 HydrophobicContact CB-CD1 3.64Å; Q263-I313 HydrophobicContact CG-CD1 4.35Å; Q263-I313 VanDerWaalsContact O-CD1 3.28Å; Q263-I313 WeakPolarHBondContact O-CD1 3.39Å
264	M	96.2	Very high	95.2	Very high	123 Å²	123	68.5 Å²	68.5	61%	0.606	37%	0.366	S	S	*	.	H	α-helix	trans	-64.9	-40.7	173	-70.5	-175.9	-175.6	0	0	112.4	S260 A261 A267 R268	S260-M264 WeakPolarHBondContact O-CG 3.44Å; S260-M264 PolarHBondContact O-N 2.65Å; A261-M264 PolarHBondContact O-N 2.94Å; M264-A267 PolarHBondContact O-N 2.85Å; M264-R268 WeakPolarHBondContact O-CG 3.31Å; M264-R268 PolarHBondContact O-N 3.28Å; M264-R268 VanDerWaalsContact O-N 3.15Å
265	H	97.3	Very high	95.4	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.065	35%	0.346	C	S	.	.	H	α-helix	trans	-64.5	-43.9	177.6	-160.1	-80.9	0	0	0	111.7	T218 D219 T222 Y249 Y253 A261 R262 R268 F269	T218-H265 PolarHBondContact O-CE1 3.36Å; D219-H265 IonicContact OD1-CE1 2.76Å; D219-H265 IonicContact OD1-NE2 3.94Å; D219-H265 PolarHBondContact OD1-NE2 3.24Å; T222-H265 PolarHBondContact OG1-CE1 3.4Å; Y249-H265 HydrophobicContact CE1-CB 3.98Å; Y249-H265 AromaticContact CE1-ND1 3.58Å; Y249-H265 AromaticContact CZ-ND1 3.67Å; Y249-H265 PolarHBondContact OH-ND1 3.26Å; Y249-H265 VanDerWaalsContact OH-ND1 3.13Å; Y249-H265 PolarHBondContact OH-O 3.14Å; Y253-H265 HydrophobicContact CE2-CB 4.33Å; Y253-H265 WeakPolarHBondContact OH-CB 3.45Å; Y253-H265 PolarHBondContact OH-CD2 3.47Å; A261-H265 WeakPolarHBondContact O-CB 3.5Å; A261-H265 PolarHBondContact O-N 3.11Å; R262-H265 PolarHBondContact O-N 3.35Å; H265-R268 PolarHBondContact CD2-NH2 2.76Å; H265-R268 PolarHBondContact O-N 3.27Å; H265-F269 PolarHBondContact O-N 3.43Å; H265-F269 VanDerWaalsContact O-N 3.1Å
266	L	97	Very high	95.8	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-40.9	175.8	-177.4	61.6	0	0	0	111.9	Y249 R262 R268 F269 L270 I313 M314	Y249-L266 HydrophobicContact CD1-CB 4.18Å; Y249-L266 HydrophobicContact CD2-CD1 4.3Å; Y249-L266 HydrophobicContact CE1-CB 3.75Å; Y249-L266 HydrophobicContact CE1-CD1 4.27Å; Y249-L266 HydrophobicContact CE2-CD1 3.98Å; R262-L266 WeakPolarHBondContact O-CB 3.48Å; R262-L266 PolarHBondContact O-N 3.05Å; L266-R268 PolarHBondContact O-N 3.21Å; L266-F269 PolarHBondContact O-N 2.98Å; L266-L270 HydrophobicContact CD1-CD1 3.91Å; L266-L270 HydrophobicContact CD1-CG 4.06Å; L266-L270 HydrophobicContact CD2-CD1 4.45Å; L266-L270 HydrophobicContact CG-CD1 3.76Å; L266-L270 HydrophobicContact CG-CG 4.34Å; L266-L270 WeakPolarHBondContact O-CB 3.37Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 2.86Å; L266-I313 HydrophobicContact CG-CG2 4.48Å; L266-M314 HydrophobicContact CD1-CE 4.22Å
267	A	97.2	Very high	96.2	Very high	39 Å²	39	52.5 Å²	52.5	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.6	0	0	0	0	0	112.7	Q263 M264 R271 I313	Q263-A267 WeakPolarHBondContact O-CB 3.39Å; Q263-A267 PolarHBondContact O-N 3.28Å; M264-A267 PolarHBondContact O-N 2.85Å; A267-R271 VanDerWaalsContact O-CB 3.31Å; A267-R271 WeakPolarHBondContact O-CB 3.39Å; A267-R271 PolarHBondContact O-N 2.84Å; A267-I313 HydrophobicContact CB-CD1 4.26Å; A267-I313 HydrophobicContact CB-CG2 3.75Å
268	R	96	Very high	96.1	Very high	167 Å²	167	53 Å²	53	63%	0.63	26%	0.259	S	S	*	.	H	α-helix	trans	-65.2	-44.2	176.6	-67.9	-173.2	-54.8	-174.5	8.5	111.7	M264 H265 L266 R271 Y272	M264-R268 WeakPolarHBondContact O-CG 3.31Å; M264-R268 PolarHBondContact O-N 3.28Å; M264-R268 VanDerWaalsContact O-N 3.15Å; H265-R268 PolarHBondContact CD2-NH2 2.76Å; H265-R268 PolarHBondContact O-N 3.27Å; L266-R268 PolarHBondContact O-N 3.21Å; R268-R271 PolarHBondContact O-N 2.83Å; R268-Y272 PolarHBondContact O-N 2.84Å
269	F	97.6	Very high	96	Very high	1 Å²	1	49 Å²	49	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-49.9	177.3	177.3	-101.2	0	0	0	112.1	Q221 L225 V242 A245 Y249 H265 L266 R271 Y272 L273	Q221-F269 HydrophobicContact CG-CE2 3.73Å; Q221-F269 HydrophobicContact CG-CZ 3.94Å; Q221-F269 VanDerWaalsContact NE2-CZ 3.34Å; L225-F269 HydrophobicContact CD1-CD2 3.65Å; L225-F269 HydrophobicContact CD1-CE2 3.44Å; L225-F269 VanDerWaalsContact CD1-CE2 3.44Å; L225-F269 HydrophobicContact CD1-CZ 4.2Å; L225-F269 HydrophobicContact CD2-CE2 4.24Å; L225-F269 HydrophobicContact CG-CD2 4.37Å; L225-F269 HydrophobicContact CG-CE2 3.83Å; V242-F269 HydrophobicContact CG1-CE1 4.42Å; V242-F269 HydrophobicContact CG1-CZ 4.05Å; V242-F269 HydrophobicContact CG2-CZ 4.28Å; A245-F269 HydrophobicContact CB-CE1 4.36Å; Y249-F269 WeakPolarHBondContact OH-CB 3.27Å; H265-F269 PolarHBondContact O-N 3.43Å; H265-F269 VanDerWaalsContact O-N 3.1Å; L266-F269 PolarHBondContact O-N 2.98Å; F269-R271 VanDerWaalsContact C-N 3.33Å; F269-R271 PolarHBondContact O-N 2.97Å; F269-Y272 WeakPolarHBondContact O-CB 3.39Å; F269-Y272 PolarHBondContact O-N 2.85Å; F269-Y272 VanDerWaalsContact O-N 3.12Å; F269-L273 HydrophobicContact CD1-CD1 4.16Å; F269-L273 HydrophobicContact CE1-CD1 3.53Å; F269-L273 HydrophobicContact CE1-CG 4.17Å; F269-L273 HydrophobicContact CZ-CD1 3.9Å; F269-L273 HydrophobicContact CZ-CD2 4.46Å; F269-L273 HydrophobicContact CZ-CG 4.2Å; F269-L273 PolarHBondContact O-N 2.91Å
270	L	97.7	Very high	96.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-35.4	178.3	-67	169	0	0	0	112.4	L266 Y272 L273 L274 I286 I313 M314 A317	L266-L270 HydrophobicContact CD1-CD1 3.91Å; L266-L270 HydrophobicContact CD1-CG 4.06Å; L266-L270 HydrophobicContact CD2-CD1 4.45Å; L266-L270 HydrophobicContact CG-CD1 3.76Å; L266-L270 HydrophobicContact CG-CG 4.34Å; L266-L270 WeakPolarHBondContact O-CB 3.37Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 2.86Å; L270-Y272 VanDerWaalsContact C-N 3.33Å; L270-L273 HydrophobicContact CD2-CD1 4.34Å; L270-L273 PolarHBondContact O-N 3.41Å; L270-L274 PolarHBondContact O-N 2.69Å; L270-I286 HydrophobicContact CD2-CD1 3.89Å; L270-I313 HydrophobicContact CD1-CG2 4.18Å; L270-M314 HydrophobicContact CD1-CE 4.2Å; L270-M314 HydrophobicContact CD1-SD 3.79Å; L270-M314 HydrophobicContact CD2-CE 4.13Å; L270-M314 HydrophobicContact CD2-SD 3.75Å; L270-M314 HydrophobicContact CG-SD 4.44Å; L270-A317 HydrophobicContact CB-CB 3.83Å; L270-A317 HydrophobicContact CD1-CB 3.95Å; L270-A317 HydrophobicContact CG-CB 4.38Å
271	R	96.1	Very high	96.2	Very high	171 Å²	171	44.9 Å²	44.9	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-67.9	-32.9	173.3	-177.4	57.6	-179.7	-140.8	5.8	112.5	A267 R268 F269 R275	A267-R271 VanDerWaalsContact O-CB 3.31Å; A267-R271 WeakPolarHBondContact O-CB 3.39Å; A267-R271 PolarHBondContact O-N 2.84Å; R268-R271 PolarHBondContact O-N 2.83Å; F269-R271 VanDerWaalsContact C-N 3.33Å; F269-R271 PolarHBondContact O-N 2.97Å; R271-R275 PolarHBondContact O-N 2.75Å
272	Y	96.3	Very high	96.3	Very high	43 Å²	43	42.4 Å²	42.4	17%	0.169	20%	0.2	C	C	.	.	H	α-helix	trans	-68	-45	174.1	-149.1	128.7	0	0	0	110.4	L225 I226 R268 F269 L270 L274 R275 L276	L225-Y272 HydrophobicContact CB-CD2 3.97Å; L225-Y272 HydrophobicContact CB-CE2 4.2Å; L225-Y272 HydrophobicContact CB-CG 4.35Å; L225-Y272 HydrophobicContact CD1-CD2 4.23Å; L225-Y272 HydrophobicContact CD1-CG 4.11Å; I226-Y272 HydrophobicContact CG1-CE1 4.2Å; R268-Y272 PolarHBondContact O-N 2.84Å; F269-Y272 WeakPolarHBondContact O-CB 3.39Å; F269-Y272 PolarHBondContact O-N 2.85Å; F269-Y272 VanDerWaalsContact O-N 3.12Å; L270-Y272 VanDerWaalsContact C-N 3.33Å; Y272-L274 VanDerWaalsContact C-N 3.34Å; Y272-L274 PolarHBondContact O-N 3.21Å; Y272-R275 WeakPolarHBondContact O-CB 3.33Å; Y272-R275 PolarHBondContact O-N 2.83Å; Y272-R275 VanDerWaalsContact O-N 3.15Å; Y272-R275 PolarHBondContact OH-NH2 2.83Å; Y272-R275 VanDerWaalsContact OH-NH2 3.16Å; Y272-L276 HydrophobicContact CD2-CD1 4.41Å; Y272-L276 HydrophobicContact CD2-CG 4.17Å; Y272-L276 HydrophobicContact CE2-CD2 4.28Å; Y272-L276 HydrophobicContact CE2-CG 4.43Å; Y272-L276 PolarHBondContact O-N 3.48Å
273	L	97.9	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-45.7	173.1	-76.1	-179.1	0	0	0	112.6	I143 L225 L240 V242 F269 L270 R275 L276 A277 V284 I286	I143-L273 HydrophobicContact CD1-CB 3.94Å; L225-L273 HydrophobicContact CD1-CD2 3.85Å; L225-L273 HydrophobicContact CD1-CG 3.96Å; L225-L273 HydrophobicContact CD2-CD2 3.62Å; L225-L273 HydrophobicContact CG-CD2 4.42Å; L240-L273 HydrophobicContact CD2-CD2 3.59Å; L240-L273 HydrophobicContact CG-CD2 4.44Å; V242-L273 HydrophobicContact CG2-CD1 4.26Å; V242-L273 HydrophobicContact CG2-CD2 4.09Å; F269-L273 HydrophobicContact CD1-CD1 4.16Å; F269-L273 HydrophobicContact CE1-CD1 3.53Å; F269-L273 HydrophobicContact CE1-CG 4.17Å; F269-L273 HydrophobicContact CZ-CD1 3.9Å; F269-L273 HydrophobicContact CZ-CD2 4.46Å; F269-L273 HydrophobicContact CZ-CG 4.2Å; F269-L273 PolarHBondContact O-N 2.91Å; L270-L273 HydrophobicContact CD2-CD1 4.34Å; L270-L273 PolarHBondContact O-N 3.41Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-R275 PolarHBondContact O-N 2.88Å; L273-L276 PolarHBondContact O-N 3.41Å; L273-A277 PolarHBondContact O-N 3.1Å; L273-A277 VanDerWaalsContact O-N 3.07Å; L273-V284 HydrophobicContact CB-CG1 4.22Å; L273-V284 HydrophobicContact CD1-CG1 4.17Å; L273-V284 HydrophobicContact CD2-CG1 4.04Å; L273-V284 HydrophobicContact CG-CG1 4.39Å; L273-I286 HydrophobicContact CD1-CG2 3.68Å
274	L	96.8	Very high	96.6	Very high	42 Å²	42	38 Å²	38	22%	0.22	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-42.9	176.6	-178.3	61.8	0	0	0	111.1	I143 L270 Y272 L276 A277 D278	I143-L274 HydrophobicContact CD1-CB 4Å; L270-L274 PolarHBondContact O-N 2.69Å; Y272-L274 VanDerWaalsContact C-N 3.34Å; Y272-L274 PolarHBondContact O-N 3.21Å; L274-L276 VanDerWaalsContact C-N 3.31Å; L274-L276 PolarHBondContact O-N 2.71Å; L274-A277 WeakPolarHBondContact O-CB 3.13Å; L274-A277 PolarHBondContact O-N 3.32Å; L274-A277 VanDerWaalsContact O-N 3.09Å; L274-D278 PolarHBondContact O-N 2.81Å
275	R	95	Very high	96.7	Very high	36 Å²	36	32.1 Å²	32.1	14%	0.136	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-40.8	175.5	-165.1	-174.9	79	-179.2	2.4	111.9	R271 Y272 L273 A277 D278 E279	R271-R275 PolarHBondContact O-N 2.75Å; Y272-R275 WeakPolarHBondContact O-CB 3.33Å; Y272-R275 PolarHBondContact O-N 2.83Å; Y272-R275 VanDerWaalsContact O-N 3.15Å; Y272-R275 PolarHBondContact OH-NH2 2.83Å; Y272-R275 VanDerWaalsContact OH-NH2 3.16Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-R275 PolarHBondContact O-N 2.88Å; R275-A277 VanDerWaalsContact C-N 3.32Å; R275-A277 PolarHBondContact O-N 3.32Å; R275-D278 PolarHBondContact O-N 3.15Å; R275-E279 IonicContact NE-OE2 3.27Å; R275-E279 WeakPolarHBondContact O-CB 3.36Å; R275-E279 PolarHBondContact O-N 3.15Å
276	L	97	Very high	96.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-37.6	175.7	-65.4	177.4	0	0	0	112.1	L225 M232 L240 Y272 L273 L274 F280	L225-L276 HydrophobicContact CB-CD1 4.19Å; L225-L276 HydrophobicContact CD2-CD1 4.13Å; M232-L276 HydrophobicContact SD-CD2 4.49Å; L240-L276 HydrophobicContact CD2-CD1 3.83Å; Y272-L276 HydrophobicContact CD2-CD1 4.41Å; Y272-L276 HydrophobicContact CD2-CG 4.17Å; Y272-L276 HydrophobicContact CE2-CD2 4.28Å; Y272-L276 HydrophobicContact CE2-CG 4.43Å; Y272-L276 PolarHBondContact O-N 3.48Å; L273-L276 PolarHBondContact O-N 3.41Å; L274-L276 VanDerWaalsContact C-N 3.31Å; L274-L276 PolarHBondContact O-N 2.71Å; L276-F280 HydrophobicContact CD2-CD2 4.03Å; L276-F280 HydrophobicContact CD2-CE2 3.74Å; L276-F280 PolarHBondContact O-N 3.14Å
277	A	97.1	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-47.6	174.5	0	0	0	0	0	111.6	L273 L274 R275 G281 V284	L273-A277 PolarHBondContact O-N 3.1Å; L273-A277 VanDerWaalsContact O-N 3.07Å; L274-A277 WeakPolarHBondContact O-CB 3.13Å; L274-A277 PolarHBondContact O-N 3.32Å; L274-A277 VanDerWaalsContact O-N 3.09Å; R275-A277 VanDerWaalsContact C-N 3.32Å; R275-A277 PolarHBondContact O-N 3.32Å; A277-G281 VanDerWaalsContact O-CA 3.25Å; A277-G281 WeakPolarHBondContact O-CA 3.42Å; A277-G281 PolarHBondContact O-N 3.4Å; A277-V284 HydrophobicContact CB-CG2 3.86Å
278	D	93.5	Very high	96.8	Very high	86 Å²	86	29.5 Å²	29.5	46%	0.46	13%	0.134	S	C	.	.	H	α-helix	trans	-65	-37.5	177.4	-64.2	-33.1	0	0	0	112.6	F75 L274 R275	F75-D278 HydrophobicContact CE2-CB 4.39Å; L274-D278 PolarHBondContact O-N 2.81Å; R275-D278 PolarHBondContact O-N 3.15Å
279	E	94.1	Very high	96.6	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-78.4	-46.5	-174.2	-177.5	179.6	160.5	0	0	112.4	P43 T69 E71 S72 R275	P43-E279 WeakPolarHBondContact CB-O 3.31Å; P43-E279 WeakPolarHBondContact CG-O 3.42Å; T69-E279 HydrophobicContact CG2-CG 4.13Å; T69-E279 VanDerWaalsContact CG2-OE1 3.25Å; T69-E279 WeakPolarHBondContact CG2-OE1 3.35Å; T69-E279 WeakPolarHBondContact OG1-CG 3.45Å; T69-E279 PolarHBondContact OG1-OE1 3.1Å; E71-E279 HydrophobicContact CB-CG 4.22Å; S72-E279 WeakPolarHBondContact CB-OE1 3.42Å; S72-E279 WeakPolarHBondContact CB-OE2 3.16Å; R275-E279 IonicContact NE-OE2 3.27Å; R275-E279 WeakPolarHBondContact O-CB 3.36Å; R275-E279 PolarHBondContact O-N 3.15Å
280	F	95.6	Very high	96.4	Very high	26 Å²	26	25.3 Å²	25.3	11%	0.114	12%	0.123	C	C	.	.	H	α-helix	trans	-106.4	-3.9	-173.7	-62.1	-79	0	0	0	114	P43 T69 S229 M232 L276 V282	P43-F280 HydrophobicContact CG-CD1 3.54Å; P43-F280 HydrophobicContact CG-CE1 3.88Å; P43-F280 HydrophobicContact CG-CG 4.41Å; T69-F280 HydrophobicContact CG2-CE1 3.65Å; T69-F280 HydrophobicContact CG2-CZ 3.73Å; S229-F280 WeakPolarHBondContact O-CZ 3.4Å; M232-F280 HydrophobicContact CB-CB 4.4Å; M232-F280 HydrophobicContact CB-CD1 3.42Å; M232-F280 VanDerWaalsContact CB-CD1 3.42Å; M232-F280 HydrophobicContact CB-CD2 3.86Å; M232-F280 HydrophobicContact CB-CE1 3.5Å; M232-F280 VanDerWaalsContact CB-CE1 3.5Å; M232-F280 HydrophobicContact CB-CE2 3.91Å; M232-F280 HydrophobicContact CB-CG 3.62Å; M232-F280 HydrophobicContact CB-CZ 3.74Å; M232-F280 HydrophobicContact CG-CD2 4.36Å; M232-F280 HydrophobicContact CG-CG 4.28Å; M232-F280 WeakPolarHBondContact O-CD1 3.36Å; M232-F280 WeakPolarHBondContact O-CE1 3.38Å; M232-F280 HydrophobicContact SD-CB 4.07Å; M232-F280 HydrophobicContact SD-CD2 3.51Å; M232-F280 VanDerWaalsContact SD-CD2 3.51Å; M232-F280 HydrophobicContact SD-CE2 4.09Å; M232-F280 HydrophobicContact SD-CG 3.81Å; L276-F280 HydrophobicContact CD2-CD2 4.03Å; L276-F280 HydrophobicContact CD2-CE2 3.74Å; L276-F280 PolarHBondContact O-N 3.14Å; F280-V282 HydrophobicContact CB-CG1 3.99Å; F280-V282 HydrophobicContact CB-CG2 4.49Å; F280-V282 PolarHBondContact O-N 3.34Å
281	G	95.3	Very high	96	Very high	39 Å²	39	28.6 Å²	28.6	40%	0.402	14%	0.144	S	C	.	.			trans	64.7	26	-176.3	0	0	0	0	0	113.5	T140 A277	T140-G281 VanDerWaalsContact CB-O 3.23Å; T140-G281 WeakPolarHBondContact CB-O 3.49Å; T140-G281 PolarHBondContact OG1-O 2.93Å; A277-G281 VanDerWaalsContact O-CA 3.25Å; A277-G281 WeakPolarHBondContact O-CA 3.42Å; A277-G281 PolarHBondContact O-N 3.4Å
282	V	97.6	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.			trans	-83	147.7	179.9	-67.5	0	0	0	0	111.9	G141 M232 Y237 F280 V284	G141-V282 PolarHBondContact N-O 3.08Å; M232-V282 HydrophobicContact CE-CG1 4.1Å; M232-V282 HydrophobicContact CE-CG2 4.05Å; M232-V282 HydrophobicContact SD-CG1 4.25Å; M232-V282 HydrophobicContact SD-CG2 4.38Å; Y237-V282 WeakPolarHBondContact O-CG1 3.46Å; F280-V282 HydrophobicContact CB-CG1 3.99Å; F280-V282 HydrophobicContact CB-CG2 4.49Å; F280-V282 PolarHBondContact O-N 3.34Å; V282-V284 HydrophobicContact CG2-CG2 4.19Å
283	A	98.6	Very high	94.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.3	161.7	0	0	0	0	0	109.5	I123 I138 T140 A238 L239 L240	I123-A283 HydrophobicContact CD1-CB 3.81Å; I138-A283 HydrophobicContact CG2-CB 3.98Å; T140-A283 HydrophobicContact CG2-CB 3.93Å; A238-A283 PolarHBondContact O-N 3.33Å; L239-A283 WeakPolarHBondContact CA-O 3.46Å; L239-A283 HydrophobicContact CD1-CB 3.9Å; L240-A283 PolarHBondContact N-O 3.47Å
284	V	98.8	Very high	92.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.1	172.7	179.4	0	0	0	0	109.3	S142 I143 T144 L240 L273 A277 V282 I286	S142-V284 PolarHBondContact O-N 3.29Å; I143-V284 WeakPolarHBondContact CA-O 3.37Å; I143-V284 HydrophobicContact CG1-CB 4.13Å; I143-V284 HydrophobicContact CG1-CG1 4.19Å; T144-V284 PolarHBondContact N-O 3.32Å; L240-V284 HydrophobicContact CB-CG2 4.38Å; L240-V284 HydrophobicContact CD2-CG2 4.38Å; L240-V284 WeakPolarHBondContact O-CA 3.49Å; L273-V284 HydrophobicContact CB-CG1 4.22Å; L273-V284 HydrophobicContact CD1-CG1 4.17Å; L273-V284 HydrophobicContact CD2-CG1 4.04Å; L273-V284 HydrophobicContact CG-CG1 4.39Å; A277-V284 HydrophobicContact CB-CG2 3.86Å; V282-V284 HydrophobicContact CG2-CG2 4.19Å; V284-I286 HydrophobicContact CG1-CG2 4.06Å
285	V	98.7	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114	177.4	178.1	0	0	0	0	109.4	I138 T144 V146 L161 L239 L240 V241 V242	I138-V285 HydrophobicContact CG2-CG2 3.74Å; T144-V285 WeakPolarHBondContact O-CA 3.45Å; V146-V285 HydrophobicContact CG2-CG1 4.09Å; L161-V285 HydrophobicContact CD1-CG1 4.39Å; L161-V285 HydrophobicContact CD1-CG2 4.12Å; L239-V285 HydrophobicContact CD1-CB 4.33Å; L239-V285 HydrophobicContact CD1-CG2 3.74Å; L240-V285 PolarHBondContact O-N 2.74Å; V241-V285 CarbonylContact C-O 3.55Å; V241-V285 VanDerWaalsContact CA-O 3.31Å; V241-V285 WeakPolarHBondContact CA-O 3.29Å; V242-V285 PolarHBondContact N-O 2.73Å
286	I	98.5	Very high	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.1	176	65.4	179.5	0	0	0	109.6	I143 T144 E145 V146 V242 A245 L270 L273 V284 M314	I143-I286 HydrophobicContact CG2-CD1 3.74Å; I143-I286 HydrophobicContact CG2-CG1 4.04Å; I143-I286 HydrophobicContact CG2-CG2 4.44Å; T144-I286 PolarHBondContact O-N 3.29Å; E145-I286 CarbonylContact C-O 3.57Å; E145-I286 WeakPolarHBondContact CA-O 3.13Å; E145-I286 HydrophobicContact CB-CD1 4.25Å; E145-I286 HydrophobicContact CB-CG1 3.96Å; E145-I286 HydrophobicContact CG-CD1 4.42Å; E145-I286 HydrophobicContact CG-CG1 4.18Å; V146-I286 PolarHBondContact N-O 3.06Å; V242-I286 HydrophobicContact CB-CG2 4.1Å; V242-I286 HydrophobicContact CG2-CG2 4.3Å; A245-I286 HydrophobicContact CB-CB 3.94Å; A245-I286 HydrophobicContact CB-CG2 4.28Å; L270-I286 HydrophobicContact CD2-CD1 3.89Å; L273-I286 HydrophobicContact CD1-CG2 3.68Å; V284-I286 HydrophobicContact CG1-CG2 4.06Å; I286-M314 HydrophobicContact CD1-CE 4.14Å; I286-M314 HydrophobicContact CD1-SD 3.45Å; I286-M314 WeakPolarHBondContact CD1-SD 2.95Å
287	T	98.2	Very high	87.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	149.4	168.3	91	0	0	0	0	110.7	V146 K154 C158 V242 D243 S244 A245	V146-T287 VanDerWaalsContact O-CA 3.31Å; V146-T287 WeakPolarHBondContact O-CA 3.42Å; K154-T287 HydrophobicContact CB-CG2 4.21Å; C158-T287 WeakPolarHBondContact SG-CG2 3.38Å; V242-T287 PolarHBondContact O-N 2.59Å; D243-T287 HydrophobicContact CB-CG2 3.92Å; D243-T287 WeakPolarHBondContact OD1-CB 3.45Å; D243-T287 WeakPolarHBondContact OD1-CG2 3.32Å; D243-T287 PolarHBondContact OD1-OG1 3.17Å; S244-T287 VanDerWaalsContact CA-OG1 3.23Å; S244-T287 WeakPolarHBondContact CA-OG1 3.48Å; S244-T287 WeakPolarHBondContact CB-O 3.25Å; S244-T287 WeakPolarHBondContact CB-OG1 3.19Å; A245-T287 PolarHBondContact N-O 2.82Å
288	N	96.7	Very high	85.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.5	176.9	-164.9	6.1	0	0	0	110.5	E145 V146 F147 G148 K154 T246 V309	E145-N288 HydrophobicContact CG-CB 4.08Å; E145-N288 WeakPolarHBondContact OE1-CB 3.4Å; E145-N288 PolarHBondContact OE1-ND2 3.36Å; V146-N288 PolarHBondContact O-N 2.75Å; F147-N288 WeakPolarHBondContact CA-O 3.31Å; F147-N288 HydrophobicContact CB-CB 3.86Å; G148-N288 PolarHBondContact N-O 3.3Å; K154-N288 WeakPolarHBondContact CD-O 3.31Å; K154-N288 WeakPolarHBondContact CE-O 3.38Å; T246-N288 VanDerWaalsContact CG2-OD1 3.25Å; T246-N288 WeakPolarHBondContact CG2-OD1 3.29Å; T246-N288 PolarHBondContact OG1-OD1 3.17Å; N288-V309 PolarHBondContact ND2-O 3.17Å
289	Q	91.9	Very high	83.3	Confident	55 Å²	55	49.3 Å²	49.3	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	161.2	174.8	-25.5	171	-10.3	0	0	109.9	E184 R250 V309	E184-Q289 PolarHBondContact OE1-NE2 2.62Å; E184-Q289 PolarHBondContact OE2-NE2 3.42Å; R250-Q289 VanDerWaalsContact NH2-CG 3.3Å; Q289-V309 WeakPolarHBondContact O-CG2 3.47Å; Q289-V309 PolarHBondContact O-N 2.83Å; Q289-V309 VanDerWaalsContact O-N 3.15Å
290	V	92.6	Very high	81.4	Confident	25 Å²	25	57.3 Å²	57.3	15%	0.152	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	154.9	178.9	-63.9	0	0	0	0	112.2	F147 E149 K306 K307	F147-V290 HydrophobicContact CD2-CG1 3.74Å; F147-V290 HydrophobicContact CE2-CG1 4.34Å; E149-V290 HydrophobicContact CB-CG2 4.45Å; E149-V290 HydrophobicContact CG-CG2 3.81Å; V290-K306 HydrophobicContact CB-CB 4.29Å; V290-K306 HydrophobicContact CG2-CB 4.37Å; V290-K306 HydrophobicContact CG2-CD 4.1Å; V290-K307 CarbonylContact C-O 3.48Å; V290-K307 VanDerWaalsContact CA-O 3.27Å; V290-K307 WeakPolarHBondContact CA-O 3.31Å
291	V	89.3	Confident	79.9	Confident	72 Å²	72	64.3 Å²	64.3	44%	0.436	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.5	167.2	-71.7	0	0	0	0	109.9	K306 K307 V309	V291-K306 WeakPolarHBondContact O-CA 3.42Å; V291-K307 PolarHBondContact N-O 3.34Å; V291-K307 PolarHBondContact O-N 2.78Å; V291-V309 HydrophobicContact CB-CG2 4.42Å; V291-V309 HydrophobicContact CG1-CG2 3.62Å; V291-V309 HydrophobicContact CG2-CG2 4.1Å
292	A	84.5	Confident	78.2	Confident	70 Å²	70	66.7 Å²	66.7	58%	0.579	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	137.9	170.5	0	0	0	0	0	110.2
293	Q	76.1	Confident	76.6	Confident	74 Å²	74	72.1 Å²	72.1	35%	0.346	42%	0.416	S	S	.	.			trans	-77.1	123.1	165.8	-63.9	-150	-97.7	0	0	109.6	P305 K307	Q293-P305 PolarHBondContact N-O 2.82Å; Q293-K307 HydrophobicContact CG-CD 4.04Å; Q293-K307 HydrophobicContact CG-CG 4.21Å
294	V	65.4	Low	75.3	Confident	136 Å²	136	74.6 Å²	74.6	82%	0.824	43%	0.429	S	S	*	.			trans	-105.8	-4.4	180	-152.3	0	0	0	0	112.1	N296	V294-N296 PolarHBondContact O-N 3.32Å
295	D	62	Low	74.4	Confident	130 Å²	130	76.8 Å²	76.8	70%	0.695	44%	0.443	S	S	*	.			trans	-85.4	105.6	-177.8	-87.1	-45.5	0	0	0	113.1
296	N	51.8	Low	73.8	Confident	127 Å²	127	79.8 Å²	79.8	68%	0.679	46%	0.456	S	S	*	.	S	Bend	trans	57.5	126.7	141.2	-64.4	-36.3	0	0	0	121.9	V294 M298	V294-N296 PolarHBondContact O-N 3.32Å; N296-M298 VanDerWaalsContact C-N 3.28Å; N296-M298 PolarHBondContact O-N 3.26Å
297	S	55.7	Low	73.4	Confident	105 Å²	105	84.3 Å²	84.3	73%	0.734	48%	0.476	S	S	*	.	S	Bend	trans	55.7	-27.4	159.4	59.6	0	0	0	0	121.3
298	M	54.3	Low	73.1	Confident	106 Å²	106	85.1 Å²	85.1	52%	0.522	48%	0.481	S	S	.	.			trans	-105.9	-3.6	-176.6	-71.6	-67.7	123.1	0	0	115.2	N296 M300 F301 Q302	N296-M298 VanDerWaalsContact C-N 3.28Å; N296-M298 PolarHBondContact O-N 3.26Å; M298-M300 PolarHBondContact O-N 3.29Å; M298-M300 VanDerWaalsContact O-N 3.12Å; M298-F301 PolarHBondContact O-N 3.19Å; M298-F301 HydrophobicContact SD-CD2 4.41Å; M298-Q302 PolarHBondContact O-N 2.98Å
299	A	53.7	Low	72.9	Confident	64 Å²	64	86.1 Å²	86.1	53%	0.529	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25.4	-178.6	0	0	0	0	0	114.2	F301	A299-F301 PolarHBondContact O-N 3.05Å
300	M	54.9	Low	72.7	Confident	174 Å²	174	83.9 Å²	83.9	86%	0.857	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.6	174.6	-71.1	-77.1	-81.7	0	0	113.9	M298	M298-M300 PolarHBondContact O-N 3.29Å; M298-M300 VanDerWaalsContact O-N 3.12Å
301	F	62.4	Low	72.6	Confident	174 Å²	174	84.6 Å²	84.6	76%	0.763	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-4.3	-177.8	-61.1	-74.5	0	0	0	113.6	M298 A299	M298-F301 PolarHBondContact O-N 3.19Å; M298-F301 HydrophobicContact SD-CD2 4.41Å; A299-F301 PolarHBondContact O-N 3.05Å
302	Q	61	Low	72.8	Confident	89 Å²	89	87.1 Å²	87.1	42%	0.416	50%	0.502	S	S	.	.			trans	-91.5	113.2	174.8	-71.6	-173.3	0.5	0	0	110.5	M298 D304	M298-Q302 PolarHBondContact O-N 2.98Å; Q302-D304 PolarHBondContact O-N 2.88Å; Q302-D304 VanDerWaalsContact O-N 3.15Å
303	A	64.1	Low	73.2	Confident	114 Å²	114	86.2 Å²	86.2	94%	0.942	49%	0.487	S	S	*	.	S	Bend	trans	-61.3	-22.6	-177.6	0	0	0	0	0	114.3
304	D	70.9	Confident	74.1	Confident	51 Å²	51	82.8 Å²	82.8	27%	0.273	47%	0.471	S	S	.	.			trans	-144.8	103.7	171.6	-160.5	-16.3	0	0	0	111	Q302 K306 Y323	Q302-D304 PolarHBondContact O-N 2.88Å; Q302-D304 VanDerWaalsContact O-N 3.15Å; D304-K306 PolarHBondContact O-N 3.43Å; D304-K306 VanDerWaalsContact O-N 3.08Å; D304-K306 WeakPolarHBondContact OD1-CB 3.35Å; D304-K306 VanDerWaalsContact OD1-CG 3.3Å; D304-K306 WeakPolarHBondContact OD1-CG 3.47Å; D304-K306 PolarHBondContact OD1-N 2.78Å; D304-K306 IonicContact OD1-NZ 2.67Å; D304-K306 PolarHBondContact OD1-NZ 3.19Å; D304-K306 IonicContact OD2-NZ 2.7Å; D304-Y323 PolarHBondContact OD2-OH 3.36Å
305	P	79.6	Confident	75.4	Confident	47 Å²	47	77.3 Å²	77.3	31%	0.305	44%	0.44	S	S	.	.			trans	-80.3	20.8	-175.5	34.3	-37.9	0	0	0	113.3	Q293	Q293-P305 PolarHBondContact N-O 2.82Å
306	K	85.7	Confident	76.9	Confident	63 Å²	63	78.9 Å²	78.9	27%	0.274	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.1	-173.7	-59.7	-175.6	-145	81.3	0	111.3	E149 V290 V291 D304	E149-K306 HydrophobicContact CG-CD 3.83Å; E149-K306 WeakPolarHBondContact OE1-CE 3.24Å; V290-K306 HydrophobicContact CB-CB 4.29Å; V290-K306 HydrophobicContact CG2-CB 4.37Å; V290-K306 HydrophobicContact CG2-CD 4.1Å; V291-K306 WeakPolarHBondContact O-CA 3.42Å; D304-K306 PolarHBondContact O-N 3.43Å; D304-K306 VanDerWaalsContact O-N 3.08Å; D304-K306 WeakPolarHBondContact OD1-CB 3.35Å; D304-K306 VanDerWaalsContact OD1-CG 3.3Å; D304-K306 WeakPolarHBondContact OD1-CG 3.47Å; D304-K306 PolarHBondContact OD1-N 2.78Å; D304-K306 IonicContact OD1-NZ 2.67Å; D304-K306 PolarHBondContact OD1-NZ 3.19Å; D304-K306 IonicContact OD2-NZ 2.7Å
307	K	90.3	Very high	79	Confident	94 Å²	94	74 Å²	74	41%	0.409	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.8	174.8	-73.3	-174.4	172.8	160.4	0	112.1	V290 V291 Q293	V290-K307 CarbonylContact C-O 3.48Å; V290-K307 VanDerWaalsContact CA-O 3.27Å; V290-K307 WeakPolarHBondContact CA-O 3.31Å; V291-K307 PolarHBondContact N-O 3.34Å; V291-K307 PolarHBondContact O-N 2.78Å; Q293-K307 HydrophobicContact CG-CD 4.04Å; Q293-K307 HydrophobicContact CG-CG 4.21Å
308	P	92.8	Very high	80.9	Confident	18 Å²	18	69.4 Å²	69.4	12%	0.117	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	150.3	173.6	26	-32.7	0	0	0	111.8	F147	F147-P308 HydrophobicContact CB-CB 4.29Å; F147-P308 HydrophobicContact CD1-CB 4.42Å; F147-P308 HydrophobicContact CD2-CB 3.83Å; F147-P308 HydrophobicContact CD2-CG 4.22Å; F147-P308 HydrophobicContact CE1-CG 4.48Å; F147-P308 HydrophobicContact CE2-CB 4.17Å; F147-P308 HydrophobicContact CE2-CG 4.05Å; F147-P308 HydrophobicContact CG-CB 3.95Å; F147-P308 HydrophobicContact CZ-CG 4.17Å
309	V	91.2	Very high	82.9	Confident	21 Å²	21	66.6 Å²	66.6	13%	0.127	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	155.9	178.1	174.3	0	0	0	0	111.4	T246 N288 Q289 V291	T246-V309 HydrophobicContact CG2-CG1 4.46Å; N288-V309 PolarHBondContact ND2-O 3.17Å; Q289-V309 WeakPolarHBondContact O-CG2 3.47Å; Q289-V309 PolarHBondContact O-N 2.83Å; Q289-V309 VanDerWaalsContact O-N 3.15Å; V291-V309 HydrophobicContact CB-CG2 4.42Å; V291-V309 HydrophobicContact CG1-CG2 3.62Å; V291-V309 HydrophobicContact CG2-CG2 4.1Å
310	G	89.1	Confident	85	Confident	7 Å²	7	64.2 Å²	64.2	7%	0.072	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-17.7	179.5	0	0	0	0	0	114.4	Q263	Q263-G310 PolarHBondContact NE2-O 2.87Å
311	G	90.7	Very high	87.1	Confident	41 Å²	41	56.5 Å²	56.5	42%	0.423	32%	0.318	S	S	.	.	H	α-helix	trans	61	-147.7	175.2	0	0	0	0	0	113	I313 M314 A315	G311-I313 PolarHBondContact O-N 2.95Å; G311-I313 VanDerWaalsContact O-N 3.15Å; G311-M314 PolarHBondContact O-N 3.22Å; G311-M314 VanDerWaalsContact O-N 3.14Å; G311-A315 PolarHBondContact O-N 2.81Å; G311-A315 VanDerWaalsContact O-N 3.1Å
312	N	91.7	Very high	88.8	Confident	124 Å²	124	48.6 Å²	48.6	66%	0.663	28%	0.283	S	S	*	.	H	α-helix	trans	-60.3	-28.3	-173	-59.3	5.6	0	0	0	113.5	A315 H316	N312-A315 PolarHBondContact O-N 2.61Å; N312-H316 WeakPolarHBondContact O-CB 3.08Å; N312-H316 PolarHBondContact O-CD2 3.04Å; N312-H316 PolarHBondContact O-N 2.91Å
313	I	94.3	Very high	90.5	Very high	52 Å²	52	45.3 Å²	45.3	27%	0.267	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-41.5	179.1	-64.3	-172.2	0	0	0	111.2	Q263 L266 A267 L270 G311 A317	Q263-I313 HydrophobicContact CB-CD1 3.64Å; Q263-I313 HydrophobicContact CG-CD1 4.35Å; Q263-I313 VanDerWaalsContact O-CD1 3.28Å; Q263-I313 WeakPolarHBondContact O-CD1 3.39Å; L266-I313 HydrophobicContact CG-CG2 4.48Å; A267-I313 HydrophobicContact CB-CD1 4.26Å; A267-I313 HydrophobicContact CB-CG2 3.75Å; L270-I313 HydrophobicContact CD1-CG2 4.18Å; G311-I313 PolarHBondContact O-N 2.95Å; G311-I313 VanDerWaalsContact O-N 3.15Å; I313-A317 WeakPolarHBondContact O-CB 3.45Å; I313-A317 PolarHBondContact O-N 2.81Å
314	M	94.1	Very high	92.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-43.1	172.6	-172.6	63.9	82.5	0	0	110.9	E145 A245 T246 L266 L270 I286 G311 H316 A317 S318	E145-M314 WeakPolarHBondContact OE2-CG 3.01Å; A245-M314 HydrophobicContact CB-CE 4.37Å; T246-M314 HydrophobicContact CG2-CE 3.37Å; L266-M314 HydrophobicContact CD1-CE 4.22Å; L270-M314 HydrophobicContact CD1-CE 4.2Å; L270-M314 HydrophobicContact CD1-SD 3.79Å; L270-M314 HydrophobicContact CD2-CE 4.13Å; L270-M314 HydrophobicContact CD2-SD 3.75Å; L270-M314 HydrophobicContact CG-SD 4.44Å; I286-M314 HydrophobicContact CD1-CE 4.14Å; I286-M314 HydrophobicContact CD1-SD 3.45Å; I286-M314 WeakPolarHBondContact CD1-SD 2.95Å; G311-M314 PolarHBondContact O-N 3.22Å; G311-M314 VanDerWaalsContact O-N 3.14Å; M314-H316 PolarHBondContact O-N 3.22Å; M314-A317 PolarHBondContact O-N 3.31Å; M314-S318 WeakPolarHBondContact O-CB 3.37Å; M314-S318 PolarHBondContact O-N 3.23Å; M314-S318 VanDerWaalsContact O-N 3.1Å; M314-S318 PolarHBondContact O-OG 2.86Å
315	A	93.9	Very high	93.4	Very high	21 Å²	21	41.4 Å²	41.4	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-37.1	-177.7	0	0	0	0	0	113.8	G311 N312	G311-A315 PolarHBondContact O-N 2.81Å; G311-A315 VanDerWaalsContact O-N 3.1Å; N312-A315 PolarHBondContact O-N 2.61Å
316	H	93.3	Very high	94.1	Very high	163 Å²	163	42.9 Å²	42.9	76%	0.755	23%	0.226	S	C	*	.	H	α-helix	trans	-87	-15.5	179.1	-68.3	-54.8	0	0	0	114.6	N312 M314	N312-H316 WeakPolarHBondContact O-CB 3.08Å; N312-H316 PolarHBondContact O-CD2 3.04Å; N312-H316 PolarHBondContact O-N 2.91Å; M314-H316 PolarHBondContact O-N 3.22Å
317	A	95.1	Very high	94.6	Very high	26 Å²	26	41.2 Å²	41.2	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-93.1	-26.6	178.9	0	0	0	0	0	113.1	L270 I313 M314	L270-A317 HydrophobicContact CB-CB 3.83Å; L270-A317 HydrophobicContact CD1-CB 3.95Å; L270-A317 HydrophobicContact CG-CB 4.38Å; I313-A317 WeakPolarHBondContact O-CB 3.45Å; I313-A317 PolarHBondContact O-N 2.81Å; M314-A317 PolarHBondContact O-N 3.31Å
318	S	95.6	Very high	94.7	Very high	8 Å²	8	47.4 Å²	47.4	6%	0.056	25%	0.248	C	C	.	.			trans	-81.9	123.5	177.6	-50.6	0	0	0	0	109.8	E145 M314	E145-S318 PolarHBondContact OE2-OG 3.39Å; M314-S318 WeakPolarHBondContact O-CB 3.37Å; M314-S318 PolarHBondContact O-N 3.23Å; M314-S318 VanDerWaalsContact O-N 3.1Å; M314-S318 PolarHBondContact O-OG 2.86Å
319	T	97.1	Very high	94.8	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.282	28%	0.276	S	S	.	.	S	Bend	trans	-70.9	-46.2	179.1	-46.6	0	0	0	0	111.3	I143 P340	I143-T319 PolarHBondContact N-OG1 3.03Å; I143-T319 WeakPolarHBondContact O-CB 3.27Å; I143-T319 PolarHBondContact O-N 3.25Å; T319-P340 HydrophobicContact CG2-CG 4.05Å; T319-P340 WeakPolarHBondContact O-CD 3.45Å
320	T	98.1	Very high	95	Very high	14 Å²	14	52.6 Å²	52.6	9%	0.086	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.2	177.9	-69.7	0	0	0	0	109.4	I143 T144 E145 L322 D338 S339 L342	I143-T320 PolarHBondContact O-N 2.94Å; T144-T320 CarbonylContact C-O 3.5Å; T144-T320 WeakPolarHBondContact CA-O 3.47Å; E145-T320 PolarHBondContact N-O 3.48Å; T320-L322 HydrophobicContact CG2-CD2 3.9Å; T320-L322 HydrophobicContact CG2-CG 4.38Å; T320-D338 WeakPolarHBondContact CA-O 3.42Å; T320-S339 PolarHBondContact OG1-OG 2.66Å; T320-L342 HydrophobicContact CG2-CD1 4.42Å
321	R	98.1	Very high	95.4	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.045	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119.2	-172.7	-50.8	-176.3	72.3	-153.7	0.2	110	E145 F147 Y337 D338	E145-R321 HydrophobicContact CB-CG 4.42Å; E145-R321 CarbonylContact O-C 3.49Å; E145-R321 WeakPolarHBondContact O-CA 3.48Å; E145-R321 IonicContact OE1-NH2 3.6Å; E145-R321 PolarHBondContact OE1-NH2 3.13Å; E145-R321 IonicContact OE2-CZ 3.57Å; E145-R321 IonicContact OE2-NE 3.9Å; E145-R321 PolarHBondContact OE2-NE 3.38Å; E145-R321 IonicContact OE2-NH2 2.66Å; E145-R321 PolarHBondContact OE2-NH2 3.18Å; F147-R321 HydrophobicContact CE1-CB 4.34Å; R321-Y337 WeakPolarHBondContact O-CB 3.39Å; R321-Y337 PolarHBondContact O-N 3.15Å; R321-D338 HydrophobicContact CB-CB 3.91Å; R321-D338 HydrophobicContact CG-CB 3.86Å; R321-D338 PolarHBondContact N-O 2.56Å; R321-D338 PolarHBondContact O-N 3.05Å
322	L	98.1	Very high	95.7	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.9	-173.8	-56	-176	0	0	0	110.4	L134 T144 E145 V146 F147 T320 I336	L134-L322 HydrophobicContact CD1-CD1 4.43Å; L134-L322 HydrophobicContact CD2-CD1 3.98Å; L134-L322 HydrophobicContact CD2-CD2 3.73Å; L134-L322 HydrophobicContact CD2-CG 4.49Å; T144-L322 HydrophobicContact CG2-CD1 3.92Å; T144-L322 HydrophobicContact CG2-CG 4.14Å; E145-L322 PolarHBondContact O-N 3.43Å; V146-L322 HydrophobicContact CG2-CD1 4.39Å; F147-L322 WeakPolarHBondContact CD1-O 3.41Å; F147-L322 PolarHBondContact N-O 2.81Å; T320-L322 HydrophobicContact CG2-CD2 3.9Å; T320-L322 HydrophobicContact CG2-CG 4.38Å; L322-I336 HydrophobicContact CD2-CG1 4.13Å
323	Y	97.6	Very high	96	Very high	20 Å²	20	47.7 Å²	47.7	8%	0.078	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.6	177.4	-179.2	-148.1	0	0	0	111.4	F147 D304 R325 K335	F147-Y323 AromaticContact CD2-CD2 3.72Å; F147-Y323 HydrophobicContact CD2-CD2 3.72Å; F147-Y323 HydrophobicContact CD2-CE2 4.4Å; F147-Y323 HydrophobicContact CD2-CG 4.42Å; F147-Y323 AromaticContact CE2-CD2 3.39Å; F147-Y323 HydrophobicContact CE2-CD2 3.39Å; F147-Y323 HydrophobicContact CE2-CE2 4.12Å; F147-Y323 AromaticContact CE2-CG 3.72Å; F147-Y323 HydrophobicContact CE2-CG 3.72Å; F147-Y323 HydrophobicContact CZ-CD2 4.07Å; F147-Y323 AromaticContact CZ-CG 3.95Å; F147-Y323 HydrophobicContact CZ-CG 3.95Å; D304-Y323 PolarHBondContact OD2-OH 3.36Å; Y323-R325 HydrophobicContact CD1-CG 4.23Å; Y323-R325 HydrophobicContact CE1-CG 3.65Å; Y323-R325 HydrophobicContact CE2-CG 4.02Å; Y323-K335 PolarHBondContact N-O 2.9Å; Y323-K335 PolarHBondContact O-N 2.82Å
324	L	98	Very high	96.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.6	177.6	-52.7	-172.5	0	0	0	112.8	V146 F147 T152 K154 I157 I333 C334 F349	V146-L324 HydrophobicContact CG1-CD1 3.59Å; V146-L324 HydrophobicContact CG1-CD2 4.27Å; V146-L324 HydrophobicContact CG1-CG 3.82Å; F147-L324 PolarHBondContact O-N 3.26Å; T152-L324 WeakPolarHBondContact CG2-O 3.44Å; K154-L324 HydrophobicContact CG-CD1 3.83Å; I157-L324 HydrophobicContact CD1-CD1 3.63Å; I157-L324 HydrophobicContact CD1-CD2 4.11Å; I157-L324 HydrophobicContact CD1-CG 4.5Å; L324-I333 CarbonylContact C-O 3.59Å; L324-I333 WeakPolarHBondContact CA-O 3.36Å; L324-C334 HydrophobicContact CD2-CB 3.79Å; L324-F349 HydrophobicContact CD1-CZ 4.44Å; L324-F349 HydrophobicContact CD2-CE1 4.03Å; L324-F349 HydrophobicContact CD2-CZ 4.15Å
325	R	96.2	Very high	96.4	Very high	82 Å²	82	48 Å²	48	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	157.6	173.1	-66.1	-179	-68.5	169.8	3.7	111.5	Y323 R332 I333 E346	Y323-R325 HydrophobicContact CD1-CG 4.23Å; Y323-R325 HydrophobicContact CE1-CG 3.65Å; Y323-R325 HydrophobicContact CE2-CG 4.02Å; R325-R332 WeakPolarHBondContact O-CA 3.33Å; R325-I333 HydrophobicContact CB-CB 4.49Å; R325-I333 PolarHBondContact N-O 2.83Å; R325-I333 PolarHBondContact O-N 2.87Å; R325-E346 IonicContact CZ-OE2 2.63Å; R325-E346 IonicContact NH2-OE2 2.63Å; R325-E346 PolarHBondContact NH2-OE2 2.82Å
326	K	95.9	Very high	96.6	Very high	77 Å²	77	47.1 Å²	47.1	34%	0.335	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.8	175.1	-67	163.8	-174.1	149.2	0	109.8	E149 F150 T152	E149-K326 IonicContact OE2-NZ 2.77Å; F150-K326 WeakPolarHBondContact O-CE 3.31Å; F150-K326 PolarHBondContact O-NZ 2.62Å; T152-K326 HydrophobicContact CG2-CG 4.24Å
327	G	94.7	Very high	96.7	Very high	28 Å²	28	44 Å²	44	29%	0.289	23%	0.226	S	C	.	.			trans	-92.6	-149.8	167.2	0	0	0	0	0	111.3	T331	G327-T331 CarbonylContact C-O 3.6Å; G327-T331 WeakPolarHBondContact CA-O 3.08Å; G327-T331 PolarHBondContact N-O 2.91Å
328	R	93.7	Very high	96.7	Very high	225 Å²	225	46.3 Å²	46.3	85%	0.849	24%	0.235	S	C	*	.	S	Bend	trans	-93.7	129.5	176.3	-66.5	-177.9	178.7	179.2	0.6	109.3	D330 T331	R328-D330 PolarHBondContact O-N 3.46Å; R328-T331 PolarHBondContact N-OG1 2.77Å; R328-T331 PolarHBondContact O-N 3.22Å; R328-T331 VanDerWaalsContact O-N 3.09Å; R328-T331 PolarHBondContact O-OG1 2.95Å
329	G	94.6	Very high	96.8	Very high	70 Å²	70	46.8 Å²	46.8	72%	0.722	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	-117.9	178.1	0	0	0	0	0	113.4	R332	G329-R332 PolarHBondContact O-NH1 2.84Å
330	D	95.2	Very high	96.7	Very high	77 Å²	77	49.5 Å²	49.5	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.4	175.4	58.1	-11.9	0	0	0	113.5	R328 R332 I351	R328-D330 PolarHBondContact O-N 3.46Å; D330-R332 VanDerWaalsContact C-NH1 3.32Å; D330-R332 PolarHBondContact O-NH1 2.85Å; D330-I351 PolarHBondContact O-N 2.9Å
331	T	97.6	Very high	96.5	Very high	18 Å²	18	52.4 Å²	52.4	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	149.3	-179.5	78.1	0	0	0	0	113.5	G327 R328 M348 F349 A359	G327-T331 CarbonylContact C-O 3.6Å; G327-T331 WeakPolarHBondContact CA-O 3.08Å; G327-T331 PolarHBondContact N-O 2.91Å; R328-T331 PolarHBondContact N-OG1 2.77Å; R328-T331 PolarHBondContact O-N 3.22Å; R328-T331 VanDerWaalsContact O-N 3.09Å; R328-T331 PolarHBondContact O-OG1 2.95Å; T331-M348 HydrophobicContact CG2-SD 4.08Å; T331-F349 CarbonylContact C-O 3.59Å; T331-F349 VanDerWaalsContact CA-O 3.27Å; T331-F349 WeakPolarHBondContact CA-O 3.37Å; T331-A359 HydrophobicContact CG2-CB 3.9Å
332	R	98	Very high	96.4	Very high	16 Å²	16	52.9 Å²	52.9	6%	0.06	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.7	-177.3	-60.8	-62.3	178.4	-85.2	-9.7	108.5	R151 T152 R325 G329 D330 M348 F349 I351	R151-R332 PolarHBondContact O-NE 3.14Å; R151-R332 PolarHBondContact O-NH2 2.98Å; T152-R332 VanDerWaalsContact O-CD 3.31Å; T152-R332 WeakPolarHBondContact O-CD 3.42Å; T152-R332 WeakPolarHBondContact O-CG 3.3Å; R325-R332 WeakPolarHBondContact O-CA 3.33Å; G329-R332 PolarHBondContact O-NH1 2.84Å; D330-R332 VanDerWaalsContact C-NH1 3.32Å; D330-R332 PolarHBondContact O-NH1 2.85Å; R332-M348 WeakPolarHBondContact O-CA 3.42Å; R332-M348 WeakPolarHBondContact O-CG 3.18Å; R332-F349 HydrophobicContact CB-CD1 3.97Å; R332-F349 HydrophobicContact CB-CD2 4.12Å; R332-F349 HydrophobicContact CB-CE1 3.45Å; R332-F349 VanDerWaalsContact CB-CE1 3.45Å; R332-F349 HydrophobicContact CB-CE2 3.65Å; R332-F349 HydrophobicContact CB-CG 4.29Å; R332-F349 HydrophobicContact CB-CZ 3.3Å; R332-F349 HydrophobicContact CG-CE2 4Å; R332-F349 HydrophobicContact CG-CZ 3.98Å; R332-F349 PolarHBondContact N-O 3.09Å; R332-F349 PolarHBondContact O-N 3.06Å; R332-I351 HydrophobicContact CG-CD1 3.91Å; R332-I351 HydrophobicContact CG-CG1 4.06Å
333	I	97.8	Very high	96.3	Very high	36 Å²	36	56.2 Å²	56.2	19%	0.185	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.9	179.2	-59	168.6	0	0	0	107.5	L324 R325 E346 A347	L324-I333 CarbonylContact C-O 3.59Å; L324-I333 WeakPolarHBondContact CA-O 3.36Å; R325-I333 HydrophobicContact CB-CB 4.49Å; R325-I333 PolarHBondContact N-O 2.83Å; R325-I333 PolarHBondContact O-N 2.87Å; I333-E346 HydrophobicContact CG2-CB 4.12Å; I333-E346 HydrophobicContact CG2-CG 4.49Å; I333-A347 WeakPolarHBondContact CA-O 3.39Å
334	C	98.3	Very high	96.1	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.5	169.4	-177.5	0	0	0	0	108.6	L130 L133 L324 E346 A347 F349	L130-C334 HydrophobicContact CD2-CB 3.47Å; L130-C334 VanDerWaalsContact CD2-CB 3.47Å; L133-C334 HydrophobicContact CD2-CB 4.13Å; L324-C334 HydrophobicContact CD2-CB 3.79Å; C334-E346 CarbonylContact O-C 3.53Å; C334-E346 WeakPolarHBondContact O-CA 3.38Å; C334-E346 WeakPolarHBondContact O-CB 3.33Å; C334-A347 PolarHBondContact N-O 3.01Å; C334-A347 PolarHBondContact O-N 2.78Å; C334-F349 HydrophobicContact CB-CD1 4.17Å; C334-F349 HydrophobicContact CB-CE1 3.91Å
335	K	97.8	Very high	96	Very high	57 Å²	57	64.1 Å²	64.1	25%	0.248	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.2	170.5	169.7	171.1	-177.6	-174.1	0	109.7	Y323 Y337 E344 S345 E346	Y323-K335 PolarHBondContact N-O 2.9Å; Y323-K335 PolarHBondContact O-N 2.82Å; K335-Y337 PolarHBondContact O-N 2.93Å; K335-E344 VanDerWaalsContact CE-OE2 3.24Å; K335-E344 WeakPolarHBondContact CE-OE2 3.27Å; K335-E344 IonicContact NZ-OE2 2.8Å; K335-E344 PolarHBondContact NZ-OE2 3.29Å; K335-S345 WeakPolarHBondContact CA-O 3.14Å; K335-E346 HydrophobicContact CB-CB 4.08Å
336	I	97.9	Very high	96.1	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	116.8	163.5	-58.5	-173.3	0	0	0	108	L133 L322 L342 S345	L133-I336 HydrophobicContact CD1-CD1 4.18Å; L133-I336 HydrophobicContact CD1-CG1 4.11Å; L133-I336 HydrophobicContact CD2-CG1 4.12Å; L133-I336 HydrophobicContact CG-CD1 3.97Å; L133-I336 HydrophobicContact CG-CG1 3.9Å; L133-I336 WeakPolarHBondContact O-CD1 3.48Å; L322-I336 HydrophobicContact CD2-CG1 4.13Å; I336-L342 HydrophobicContact CD1-CB 3.53Å; I336-L342 HydrophobicContact CD1-CD1 3.74Å; I336-L342 HydrophobicContact CD1-CG 4.24Å; I336-L342 HydrophobicContact CG2-CB 4.41Å; I336-S345 PolarHBondContact N-O 3.41Å
337	Y	95.6	Very high	96.1	Very high	96 Å²	96	62.5 Å²	62.5	38%	0.376	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-33.6	-178.6	-171.7	-88.7	0	0	0	112	F147 R321 K335	F147-Y337 HydrophobicContact CE1-CD1 4.12Å; F147-Y337 HydrophobicContact CE1-CD2 4.33Å; F147-Y337 AromaticContact CE1-CG 3.85Å; F147-Y337 HydrophobicContact CE1-CG 3.85Å; F147-Y337 HydrophobicContact CZ-CD1 4.01Å; F147-Y337 AromaticContact CZ-CD2 3.61Å; F147-Y337 HydrophobicContact CZ-CD2 3.61Å; F147-Y337 HydrophobicContact CZ-CE1 4.42Å; F147-Y337 HydrophobicContact CZ-CE2 4.03Å; F147-Y337 AromaticContact CZ-CG 3.58Å; F147-Y337 HydrophobicContact CZ-CG 3.58Å; R321-Y337 WeakPolarHBondContact O-CB 3.39Å; R321-Y337 PolarHBondContact O-N 3.15Å; K335-Y337 PolarHBondContact O-N 2.93Å
338	D	96	Very high	96.3	Very high	75 Å²	75	65.5 Å²	65.5	40%	0.401	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	140.5	178.1	-160.8	-2.7	0	0	0	109	T320 R321	T320-D338 WeakPolarHBondContact CA-O 3.42Å; R321-D338 HydrophobicContact CB-CB 3.91Å; R321-D338 HydrophobicContact CG-CB 3.86Å; R321-D338 PolarHBondContact N-O 2.56Å; R321-D338 PolarHBondContact O-N 3.05Å
339	S	96.9	Very high	96.5	Very high	19 Å²	19	54.8 Å²	54.8	13%	0.133	31%	0.311	C	S	.	.			trans	-170.5	143.3	175.9	-175.2	0	0	0	0	109.9	T320 C341 L342	T320-S339 PolarHBondContact OG1-OG 2.66Å; S339-C341 VanDerWaalsContact C-N 3.29Å; S339-C341 PolarHBondContact O-N 3.08Å; S339-L342 PolarHBondContact OG-N 3.49Å
340	P	95.4	Very high	96.7	Very high	103 Å²	103	51.4 Å²	51.4	67%	0.669	28%	0.276	S	S	*	.	S	Bend	trans	-71.7	-19.4	177.8	29.1	-37.5	0	0	0	114.2	T319	T319-P340 HydrophobicContact CG2-CG 4.05Å; T319-P340 WeakPolarHBondContact O-CD 3.45Å
341	C	93	Very high	96.8	Very high	75 Å²	75	49.4 Å²	49.4	51%	0.507	27%	0.265	S	S	.	.	S	Bend	trans	-128.8	-26.1	-172.5	54.6	0	0	0	0	114.4	S339	S339-C341 VanDerWaalsContact C-N 3.29Å; S339-C341 PolarHBondContact O-N 3.08Å
342	L	95.7	Very high	96.8	Very high	22 Å²	22	49.5 Å²	49.5	12%	0.115	27%	0.265	C	S	.	.	S	Bend	trans	-92.6	133.8	-175.7	-54.7	174.5	0	0	0	111.5	L134 Q135 T320 I336 S339	L134-L342 HydrophobicContact CD2-CD1 4.14Å; Q135-L342 HydrophobicContact CB-CD2 3.93Å; Q135-L342 VanDerWaalsContact CD-CD2 3.47Å; Q135-L342 HydrophobicContact CG-CD2 3.65Å; T320-L342 HydrophobicContact CG2-CD1 4.42Å; I336-L342 HydrophobicContact CD1-CB 3.53Å; I336-L342 HydrophobicContact CD1-CD1 3.74Å; I336-L342 HydrophobicContact CD1-CG 4.24Å; I336-L342 HydrophobicContact CG2-CB 4.41Å; S339-L342 PolarHBondContact OG-N 3.49Å
343	P	95.7	Very high	96.8	Very high	79 Å²	79	53.6 Å²	53.6	51%	0.513	29%	0.294	S	S	.	.			trans	-72.2	149.4	177.8	30.6	-35.1	0	0	0	112	S345	P343-S345 PolarHBondContact O-N 2.83Å; P343-S345 PolarHBondContact O-OG 3.36Å
344	E	94.5	Very high	96.7	Very high	143 Å²	143	54.5 Å²	54.5	67%	0.668	30%	0.299	S	S	*	.	S	Bend	trans	-55.2	113.9	170.4	-82.4	-161.7	-131.7	0	0	110.9	K335	K335-E344 VanDerWaalsContact CE-OE2 3.24Å; K335-E344 WeakPolarHBondContact CE-OE2 3.27Å; K335-E344 IonicContact NZ-OE2 2.8Å; K335-E344 PolarHBondContact NZ-OE2 3.29Å
345	S	96.4	Very high	96.7	Very high	43 Å²	43	54.4 Å²	54.4	30%	0.301	30%	0.299	S	S	.	.			trans	-157	165.2	-173.8	48.4	0	0	0	0	109.8	L133 K335 I336 P343	L133-S345 WeakPolarHBondContact CD1-OG 3.4Å; K335-S345 WeakPolarHBondContact CA-O 3.14Å; I336-S345 PolarHBondContact N-O 3.41Å; P343-S345 PolarHBondContact O-N 2.83Å; P343-S345 PolarHBondContact O-OG 3.36Å
346	E	97	Very high	96.7	Very high	114 Å²	114	51.8 Å²	51.8	53%	0.533	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.4	177.2	65	-179.8	-164.4	0	0	112.5	R325 I333 C334 K335	R325-E346 IonicContact CZ-OE2 2.63Å; R325-E346 IonicContact NH2-OE2 2.63Å; R325-E346 PolarHBondContact NH2-OE2 2.82Å; I333-E346 HydrophobicContact CG2-CB 4.12Å; I333-E346 HydrophobicContact CG2-CG 4.49Å; C334-E346 CarbonylContact O-C 3.53Å; C334-E346 WeakPolarHBondContact O-CA 3.38Å; C334-E346 WeakPolarHBondContact O-CB 3.33Å; K335-E346 HydrophobicContact CB-CB 4.08Å
347	A	97.5	Very high	96.8	Very high	12 Å²	12	51.7 Å²	51.7	10%	0.099	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.1	176.1	0	0	0	0	0	111	E129 L133 I333 C334	E129-A347 HydrophobicContact CB-CB 4.31Å; E129-A347 WeakPolarHBondContact O-CB 3.23Å; L133-A347 HydrophobicContact CB-CB 3.95Å; L133-A347 HydrophobicContact CD1-CB 4.24Å; L133-A347 HydrophobicContact CD2-CB 3.97Å; L133-A347 HydrophobicContact CG-CB 4.27Å; I333-A347 WeakPolarHBondContact CA-O 3.39Å; C334-A347 PolarHBondContact N-O 3.01Å; C334-A347 PolarHBondContact O-N 2.78Å
348	M	97.6	Very high	96.8	Very high	90 Å²	90	49.5 Å²	49.5	44%	0.443	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.9	176.1	-163.9	179.5	-55.8	0	0	110.4	T331 R332 A359	T331-M348 HydrophobicContact CG2-SD 4.08Å; R332-M348 WeakPolarHBondContact O-CA 3.42Å; R332-M348 WeakPolarHBondContact O-CG 3.18Å; M348-A359 HydrophobicContact CG-CB 4.28Å; M348-A359 HydrophobicContact SD-CB 4.25Å
349	F	98.1	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	168	174.8	68.9	-83.6	0	0	0	110	L130 I157 L324 T331 R332 C334 I351 I356	L130-F349 HydrophobicContact CD1-CB 3.93Å; L130-F349 HydrophobicContact CD1-CD1 4.04Å; L130-F349 HydrophobicContact CD1-CD2 4.31Å; L130-F349 HydrophobicContact CD1-CG 3.85Å; L130-F349 HydrophobicContact CD2-CB 4.43Å; L130-F349 HydrophobicContact CD2-CD1 3.85Å; L130-F349 HydrophobicContact CD2-CE1 4.47Å; L130-F349 HydrophobicContact CD2-CG 4.37Å; L130-F349 HydrophobicContact CG-CB 3.96Å; L130-F349 HydrophobicContact CG-CD1 4.21Å; L130-F349 HydrophobicContact CG-CG 4.22Å; I157-F349 HydrophobicContact CD1-CE2 4.3Å; I157-F349 HydrophobicContact CD1-CZ 4Å; I157-F349 HydrophobicContact CG1-CE2 4.39Å; L324-F349 HydrophobicContact CD1-CZ 4.44Å; L324-F349 HydrophobicContact CD2-CE1 4.03Å; L324-F349 HydrophobicContact CD2-CZ 4.15Å; T331-F349 CarbonylContact C-O 3.59Å; T331-F349 VanDerWaalsContact CA-O 3.27Å; T331-F349 WeakPolarHBondContact CA-O 3.37Å; R332-F349 HydrophobicContact CB-CD1 3.97Å; R332-F349 HydrophobicContact CB-CD2 4.12Å; R332-F349 HydrophobicContact CB-CE1 3.45Å; R332-F349 VanDerWaalsContact CB-CE1 3.45Å; R332-F349 HydrophobicContact CB-CE2 3.65Å; R332-F349 HydrophobicContact CB-CG 4.29Å; R332-F349 HydrophobicContact CB-CZ 3.3Å; R332-F349 HydrophobicContact CG-CE2 4Å; R332-F349 HydrophobicContact CG-CZ 3.98Å; R332-F349 PolarHBondContact N-O 3.09Å; R332-F349 PolarHBondContact O-N 3.06Å; C334-F349 HydrophobicContact CB-CD1 4.17Å; C334-F349 HydrophobicContact CB-CE1 3.91Å; F349-I351 HydrophobicContact CE2-CG1 4.39Å; F349-I356 HydrophobicContact CB-CG2 4.49Å; F349-I356 HydrophobicContact CD2-CD1 4.03Å; F349-I356 HydrophobicContact CD2-CG2 3.84Å; F349-I356 HydrophobicContact CE2-CD1 3.85Å; F349-I356 HydrophobicContact CE2-CG2 4.48Å; F349-I356 HydrophobicContact CG-CG2 4.47Å
350	A	98.3	Very high	96.1	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.5	175.8	0	0	0	0	0	112	L352 G357	A350-L352 HydrophobicContact CB-CD2 3.77Å; A350-L352 HydrophobicContact CB-CG 4.08Å; A350-G357 PolarHBondContact N-O 3.31Å; A350-G357 PolarHBondContact O-N 3.15Å
351	I	97.8	Very high	94.7	Very high	34 Å²	34	62.9 Å²	62.9	17%	0.174	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	102.2	169.2	-56	176.3	0	0	0	107.5	Q156 D330 R332 F349 I356	Q156-I351 HydrophobicContact CB-CG2 4.23Å; Q156-I351 HydrophobicContact CG-CD1 4.49Å; Q156-I351 HydrophobicContact CG-CG2 3.9Å; D330-I351 PolarHBondContact O-N 2.9Å; R332-I351 HydrophobicContact CG-CD1 3.91Å; R332-I351 HydrophobicContact CG-CG1 4.06Å; F349-I351 HydrophobicContact CE2-CG1 4.39Å; I351-I356 HydrophobicContact CG1-CD1 3.98Å
352	L	97.7	Very high	94.8	Very high	20 Å²	20	62.3 Å²	62.3	11%	0.105	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	167.9	-174.4	-56.3	178	0	0	0	111.4	R191 A350 D354 G355	R191-L352 PolarHBondContact NH2-O 3.39Å; R191-L352 VanDerWaalsContact NH2-O 3.17Å; A350-L352 HydrophobicContact CB-CD2 3.77Å; A350-L352 HydrophobicContact CB-CG 4.08Å; L352-D354 WeakPolarHBondContact CB-OD1 3.3Å; L352-D354 PolarHBondContact O-N 2.79Å; L352-G355 WeakPolarHBondContact CA-O 3.34Å; L352-G355 PolarHBondContact N-O 3.02Å; L352-G355 PolarHBondContact O-N 2.63Å
353	P	96.8	Very high	94.8	Very high	103 Å²	103	64.4 Å²	64.4	67%	0.669	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.4	172.2	-25.2	36.3	0	0	0	112.5	R191 P194	R191-P353 PolarHBondContact NH1-O 2.9Å; P194-P353 WeakPolarHBondContact CB-O 3.15Å
354	D	97.6	Very high	94.7	Very high	55 Å²	55	63.6 Å²	63.6	29%	0.294	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	26.5	-179.2	60.9	-35.3	0	0	0	114	R198 L352	R198-D354 HydrophobicContact CB-CB 4.22Å; R198-D354 WeakPolarHBondContact CD-O 3.41Å; R198-D354 WeakPolarHBondContact CD-OD2 3.46Å; R198-D354 IonicContact NE-OD2 2.82Å; L352-D354 WeakPolarHBondContact CB-OD1 3.3Å; L352-D354 PolarHBondContact O-N 2.79Å
355	G	97.8	Very high	94.7	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.9	-149.9	171.1	0	0	0	0	0	114.3	L352	L352-G355 WeakPolarHBondContact CA-O 3.34Å; L352-G355 PolarHBondContact N-O 3.02Å; L352-G355 PolarHBondContact O-N 2.63Å
356	I	98.3	Very high	94.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.7	172.2	-63.1	-53.8	0	0	0	109.8	G126 L130 Q156 I157 T160 R198 F349 I351	G126-I356 CarbonylContact C-O 3.39Å; L130-I356 HydrophobicContact CD1-CG2 3.86Å; Q156-I356 HydrophobicContact CB-CD1 3.89Å; I157-I356 HydrophobicContact CB-CG1 4.35Å; I157-I356 HydrophobicContact CG1-CD1 4.06Å; I157-I356 HydrophobicContact CG1-CG1 3.78Å; T160-I356 HydrophobicContact CG2-CB 4.19Å; T160-I356 PolarHBondContact OG1-N 2.9Å; R198-I356 PolarHBondContact NH1-O 2.63Å; F349-I356 HydrophobicContact CB-CG2 4.49Å; F349-I356 HydrophobicContact CD2-CD1 4.03Å; F349-I356 HydrophobicContact CD2-CG2 3.84Å; F349-I356 HydrophobicContact CE2-CD1 3.85Å; F349-I356 HydrophobicContact CE2-CG2 4.48Å; F349-I356 HydrophobicContact CG-CG2 4.47Å; I351-I356 HydrophobicContact CG1-CD1 3.98Å
357	G	98.1	Very high	94.5	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	-179	176.6	0	0	0	0	0	111.9	A350	A350-G357 PolarHBondContact N-O 3.31Å; A350-G357 PolarHBondContact O-N 3.15Å
358	D	97.1	Very high	94.3	Very high	50 Å²	50	59.4 Å²	59.4	27%	0.267	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	150.6	176.9	-58.2	-49.7	0	0	0	111.1	S127 K128 E129	S127-D358 WeakPolarHBondContact CA-OD1 3.35Å; S127-D358 WeakPolarHBondContact CB-OD1 3.46Å; S127-D358 PolarHBondContact OG-OD1 2.97Å; K128-D358 WeakPolarHBondContact CB-OD2 3.19Å; K128-D358 WeakPolarHBondContact CG-OD2 3.24Å; K128-D358 PolarHBondContact N-OD1 3.12Å; K128-D358 PolarHBondContact N-OD2 3.34Å; E129-D358 PolarHBondContact N-OD1 2.81Å
359	A	91.7	Very high	94	Very high	34 Å²	34	57.1 Å²	57.1	28%	0.281	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-66.8	135.9	174.3	0	0	0	0	0	110.2	T331 M348	T331-A359 HydrophobicContact CG2-CB 3.9Å; M348-A359 HydrophobicContact CG-CB 4.28Å; M348-A359 HydrophobicContact SD-CB 4.25Å
360	K	85	Confident	93.6	Very high	174 Å²	174	61.8 Å²	61.8	76%	0.757	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-72.5	138.4	170.6	-62.9	-179.5	-178.6	179.1	0	108.9
361	E	67.5	Low	93.2	Very high	269 Å²	269	67.5 Å²	67.5	100%	1.257	35%	0.348	S	S	*	.			trans	-61.9	0	175.7	-62.1	-173.8	157.1	0	0	112.7

Retrieved 361 of 361 residues in 141.1 ms (Link to these results)

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