A0A3Q0KKD2_SCHMA Loading...

Glycylpeptide N-tetradecanoyltransferase

Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KKD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 458 aa.

Structure Viewer

Loading PAE data...

(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	37.8	Very low	40.4	Very low	240 Å²	240	160.8 Å²	160.8	100%	1.182	87%	0.867	S	S	*	*				0	109.8	0	-85.8	171.9	168.8	0	0	107.2
2	T	41.6	Very low	39.6	Very low	125 Å²	125	164.4 Å²	164.4	77%	0.767	87%	0.869	S	S	*	*			trans	55.5	99.9	163.6	57.9	0	0	0	0	117.4
3	D	40.4	Very low	39.3	Very low	142 Å²	142	164.8 Å²	164.8	76%	0.759	87%	0.866	S	S	*	*				91.3	132.5	74.2	-90.7	-38	0	0	0	110.3
4	T	45.7	Very low	39.1	Very low	121 Å²	121	166.1 Å²	166.1	74%	0.742	86%	0.861	S	S	*	*			cis	-168.7	156.2	-3.2	-17.6	0	0	0	0	105.4
5	P	40.9	Very low	38.4	Very low	117 Å²	117	169.3 Å²	169.3	76%	0.76	87%	0.866	S	S	*	*			trans	-105.8	153.5	177	36.2	-25.5	0	0	0	112.5
6	E	44.4	Very low	38.2	Very low	203 Å²	203	166.1 Å²	166.1	95%	0.949	86%	0.864	S	S	*	*			trans	-148.2	152.7	168.6	-105.7	-177.7	-176.7	0	0	114.8
7	E	41.8	Very low	37.8	Very low	187 Å²	187	161.3 Å²	161.3	87%	0.874	85%	0.854	S	S	*	*			trans	-88.2	175.9	-152.8	-92.9	-174.8	151.6	0	0	118
8	P	37.9	Very low	37.5	Very low	119 Å²	119	161.8 Å²	161.8	77%	0.773	86%	0.857	S	S	*	*			trans	-97.8	154.6	-176.2	37.7	-30.9	0	0	0	114.6
9	L	41	Very low	37.2	Very low	180 Å²	180	159.5 Å²	159.5	94%	0.942	85%	0.85	S	S	*	*			trans	-120.6	122.5	175.6	-90.4	156.4	0	0	0	112.8
10	K	32.5	Very low	37	Very low	208 Å²	208	159.4 Å²	159.4	90%	0.904	85%	0.848	S	S	*	*			trans	-85.6	142.6	162.6	-77.2	175.1	175.5	170.3	0	109.6
11	S	40.7	Very low	36.7	Very low	127 Å²	127	159 Å²	159	89%	0.888	85%	0.846	S	S	*	*			trans	-142.1	135.7	155.4	66.3	0	0	0	0	111.7
12	K	30.4	Very low	36.5	Very low	204 Å²	204	153.3 Å²	153.3	89%	0.887	82%	0.824	S	S	*	*			trans	-99	145	173.2	-81.2	177.8	170.1	177.4	0	108.9
13	M	36	Very low	36	Very low	169 Å²	169	152.4 Å²	152.4	83%	0.833	82%	0.823	S	S	*	*			trans	176.1	150.2	152.2	-100.4	166.6	109.6	0	0	107.3
14	K	35.8	Very low	35.7	Very low	183 Å²	183	153.2 Å²	153.2	80%	0.796	83%	0.828	S	S	*	*			cis	-171	146.6	-12.6	-123.6	-178.7	-175.5	179.1	0	104.3
15	K	29	Very low	34.9	Very low	214 Å²	214	152.6 Å²	152.6	93%	0.93	83%	0.828	S	S	*	*			trans	-68.6	146.5	172.9	-77.9	176	171.1	-179.7	0	111.5
16	S	34.8	Very low	34.7	Very low	119 Å²	119	153.3 Å²	153.3	83%	0.832	83%	0.83	S	S	*	*			trans	-142.4	138.6	142.4	83	0	0	0	0	110.5
17	A	31.5	Very low	34.2	Very low	84 Å²	84	150.5 Å²	150.5	69%	0.694	82%	0.821	S	S	*	*			trans	-80.8	156.2	171.8	0	0	0	0	0	110.5
18	N	33.4	Very low	33.7	Very low	170 Å²	170	146.6 Å²	146.6	91%	0.909	82%	0.815	S	S	*	*			trans	-150.2	125.3	148.9	-103.1	-8.5	0	0	0	109.5
19	T	30.6	Very low	33.4	Very low	119 Å²	119	149.3 Å²	149.3	73%	0.73	82%	0.822	S	S	*	*			trans	-92.3	135.4	175.1	-46.8	0	0	0	0	108.4
20	I	34.5	Very low	33.1	Very low	156 Å²	156	145.5 Å²	145.5	80%	0.8	81%	0.808	S	S	*	*			trans	-144.5	113.6	154.5	-60.4	-175.9	0	0	0	108.1	V22	I20-V22 HydrophobicContact CG2-CG2 4.21Å
21	D	29.1	Very low	33.3	Very low	151 Å²	151	143.3 Å²	143.3	81%	0.807	81%	0.806	S	S	*	*			trans	-73.4	138.4	160.1	-91.4	-42.7	0	0	0	109.7
22	V	35.1	Very low	33	Very low	121 Å²	121	141.2 Å²	141.2	73%	0.733	80%	0.796	S	S	*	*			trans	-144.8	113.4	148.7	-174.6	0	0	0	0	108.5	I20	I20-V22 HydrophobicContact CG2-CG2 4.21Å
23	S	30.6	Very low	33.2	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	79%	0.79	S	S	*	*			trans	-74	137.5	162.5	51.4	0	0	0	0	110.4
24	D	33.9	Very low	33.1	Very low	160 Å²	160	139.2 Å²	139.2	86%	0.856	79%	0.79	S	S	*	*			trans	-142.1	128.2	154.4	-96.1	-29.8	0	0	0	110.1
25	S	28.6	Very low	32.9	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	79%	0.785	S	S	*	*			trans	-119.6	123.1	-179.8	47.7	0	0	0	0	108.1
26	V	36.8	Very low	33	Very low	131 Å²	131	132.3 Å²	132.3	79%	0.794	78%	0.779	S	S	*	*			trans	-149.3	110.1	163.4	-169.7	0	0	0	0	111.2
27	D	34.3	Very low	32.8	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	77%	0.771	S	S	*	*			trans	44.6	108.5	135.7	-61	-25.6	0	0	0	123.9
28	S	31.3	Very low	32.6	Very low	105 Å²	105	133 Å²	133	73%	0.734	78%	0.779	S	S	*	*				37.6	125.8	119	64.8	0	0	0	0	122.5
29	L	31.5	Very low	32.3	Very low	176 Å²	176	128.6 Å²	128.6	92%	0.921	77%	0.773	S	S	*	*			trans	-150.7	129.8	141.5	-93.4	161.7	0	0	0	109.3
30	P	35.1	Very low	32	Very low	100 Å²	100	131.9 Å²	131.9	65%	0.649	78%	0.78	S	S	*	*			trans	-112.9	173.1	-178.5	39.5	-30.2	0	0	0	115.3
31	N	36.6	Very low	31.8	Very low	162 Å²	162	134.1 Å²	134.1	87%	0.866	79%	0.785	S	S	*	*			trans	84.7	139.5	166.9	-58.1	-24.2	0	0	0	116.1
32	A	34.8	Very low	31.9	Very low	83 Å²	83	132.8 Å²	132.8	69%	0.686	78%	0.784	S	S	*	*			cis	-161	150.6	-1.3	0	0	0	0	0	104.9
33	D	34.1	Very low	31.7	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	79%	0.793	S	S	*	*				-170.6	143	66.8	-102.2	-41.4	0	0	0	112.5
34	K	33.6	Very low	31.8	Very low	189 Å²	189	133.3 Å²	133.3	82%	0.822	79%	0.79	S	S	*	*			trans	-5.2	145.3	147.1	-68.1	166.2	179.6	175.5	0	117.5
35	S	32.2	Very low	31.6	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	79%	0.786	S	S	*	*			cis	179.8	162.3	28.2	41	0	0	0	0	112.1
36	L	30.9	Very low	32.3	Very low	153 Å²	153	131 Å²	131	80%	0.801	77%	0.768	S	S	*	*			trans	90.5	87.9	160.1	-65.5	138.1	0	0	0	117.1
37	S	30.5	Very low	32.1	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	77%	0.767	S	S	*	*				80.6	90.8	86.3	72.5	0	0	0	0	113
38	S	26.4	Very low	32.2	Very low	123 Å²	123	133.6 Å²	133.6	86%	0.86	76%	0.764	S	S	*	*				82.4	113.1	85.5	70.4	0	0	0	0	114.7
39	G	27.1	Very low	32.2	Very low	77 Å²	77	131.1 Å²	131.1	79%	0.794	74%	0.743	S	S	*	*			trans	-173.4	86.2	165.3	0	0	0	0	0	110.7
40	Q	25.8	Very low	32.2	Very low	189 Å²	189	128.4 Å²	128.4	88%	0.883	73%	0.728	S	S	*	*			trans	-65.5	138.1	175	-74.6	169.9	-24.4	0	0	111.8
41	F	29	Very low	32.1	Very low	203 Å²	203	130.3 Å²	130.3	89%	0.89	73%	0.727	S	S	*	*			trans	-136.4	148.9	145.5	-79.7	-74.2	0	0	0	110.5
42	P	32.5	Very low	32	Very low	123 Å²	123	127.5 Å²	127.5	80%	0.799	71%	0.708	S	S	*	*			trans	-94.1	164.2	-153	4.9	16	0	0	0	114.3
43	N	31.3	Very low	31.8	Very low	170 Å²	170	126.5 Å²	126.5	91%	0.909	69%	0.691	S	S	*	*			trans	-45.2	140.5	179.6	-71.4	-33.6	0	0	0	116.7
44	G	31	Very low	31.8	Very low	67 Å²	67	121 Å²	121	69%	0.691	66%	0.662	S	S	*	*			trans	92	87.3	137.9	0	0	0	0	0	115.2
45	I	31.1	Very low	31.7	Very low	150 Å²	150	112.4 Å²	112.4	77%	0.769	63%	0.626	S	S	*	*			trans	-163.4	113.9	151.6	-89.8	134.4	0	0	0	108.2
46	N	42.4	Very low	31.7	Very low	70 Å²	70	108.2 Å²	108.2	37%	0.374	60%	0.595	S	S	.	*			trans	87.6	53.7	143.8	-102.5	-27.4	0	0	0	123.6	K48 L49 L50	N46-K48 PolarHBondContact O-N 3.19Å; N46-L49 HydrophobicContact CB-CB 3.53Å; N46-L49 HydrophobicContact CB-CD2 4.41Å; N46-L49 WeakPolarHBondContact ND2-CB 3.26Å; N46-L49 WeakPolarHBondContact ND2-CD2 3.43Å; N46-L49 PolarHBondContact O-N 3.2Å; N46-L49 VanDerWaalsContact OD1-CB 3.25Å; N46-L49 WeakPolarHBondContact OD1-CB 3.35Å; N46-L49 PolarHBondContact OD1-N 3.47Å; N46-L50 WeakPolarHBondContact O-CB 3.48Å; N46-L50 WeakPolarHBondContact O-CD1 3.49Å; N46-L50 PolarHBondContact O-N 3.28Å
47	E	33.8	Very low	31.7	Very low	163 Å²	163	101.5 Å²	101.5	76%	0.762	56%	0.56	S	S	*	*	H	α-helix	trans	-55.8	-27.9	157.6	-110.6	-172.9	162.9	0	0	113.3	K51	E47-K51 VanDerWaalsContact O-CB 3.29Å; E47-K51 WeakPolarHBondContact O-CB 3.18Å; E47-K51 WeakPolarHBondContact O-CD 3.4Å; E47-K51 WeakPolarHBondContact O-CG 3.23Å; E47-K51 PolarHBondContact O-N 3Å
48	K	35.7	Very low	31.7	Very low	167 Å²	167	98.3 Å²	98.3	73%	0.726	54%	0.536	S	S	*	.	H	α-helix	trans	-81.5	-31.5	177.5	-102.2	-176.2	176.7	-179.4	0	114.3	N46 Q52	N46-K48 PolarHBondContact O-N 3.19Å; K48-Q52 WeakPolarHBondContact O-CG 3.23Å
49	L	31.1	Very low	32	Very low	53 Å²	53	95.3 Å²	95.3	28%	0.277	51%	0.512	S	S	.	.	H	α-helix	trans	-87	-26.8	176.8	-165.7	91.3	0	0	0	111.6	N46 Q52	N46-L49 HydrophobicContact CB-CB 3.53Å; N46-L49 HydrophobicContact CB-CD2 4.41Å; N46-L49 WeakPolarHBondContact ND2-CB 3.26Å; N46-L49 WeakPolarHBondContact ND2-CD2 3.43Å; N46-L49 PolarHBondContact O-N 3.2Å; N46-L49 VanDerWaalsContact OD1-CB 3.25Å; N46-L49 WeakPolarHBondContact OD1-CB 3.35Å; N46-L49 PolarHBondContact OD1-N 3.47Å; L49-Q52 PolarHBondContact O-N 3.31Å
50	L	31.9	Very low	32.1	Very low	118 Å²	118	93 Å²	93	62%	0.618	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-51.7	163.6	-99.2	96.9	0	0	0	109	N46 Q52 L53 T54	N46-L50 WeakPolarHBondContact O-CB 3.48Å; N46-L50 WeakPolarHBondContact O-CD1 3.49Å; N46-L50 PolarHBondContact O-N 3.28Å; L50-Q52 PolarHBondContact O-N 3.48Å; L50-L53 PolarHBondContact O-N 3.27Å; L50-T54 WeakPolarHBondContact O-CG2 3.42Å; L50-T54 PolarHBondContact O-OG1 2.88Å
51	K	33.1	Very low	32.1	Very low	141 Å²	141	86.9 Å²	86.9	61%	0.613	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-2	175.2	-83	178	-177.6	178.4	0	117.2	E47 T54	E47-K51 VanDerWaalsContact O-CB 3.29Å; E47-K51 WeakPolarHBondContact O-CB 3.18Å; E47-K51 WeakPolarHBondContact O-CD 3.4Å; E47-K51 WeakPolarHBondContact O-CG 3.23Å; E47-K51 PolarHBondContact O-N 3Å; K51-T54 VanDerWaalsContact CA-OG1 3.3Å; K51-T54 WeakPolarHBondContact CA-OG1 3.37Å; K51-T54 PolarHBondContact O-OG1 3.35Å
52	Q	33.7	Very low	32.1	Very low	102 Å²	102	83 Å²	83	48%	0.477	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-16.5	176.4	-72.4	-179.7	-31.7	0	0	112.9	K48 L49 L50 T54 H275	K48-Q52 WeakPolarHBondContact O-CG 3.23Å; L49-Q52 PolarHBondContact O-N 3.31Å; L50-Q52 PolarHBondContact O-N 3.48Å; Q52-T54 PolarHBondContact N-OG1 2.93Å; Q52-T54 PolarHBondContact O-N 2.81Å; Q52-H275 PolarHBondContact O-NE2 2.81Å
53	L	30.9	Very low	31.8	Very low	62 Å²	62	80.2 Å²	80.2	33%	0.325	46%	0.463	S	S	.	.	S	Bend	trans	-81.9	7.7	174.4	-73.1	164.2	0	0	0	112.8	L50 H275	L50-L53 PolarHBondContact O-N 3.27Å; L53-H275 HydrophobicContact CD2-CB 3.72Å; L53-H275 HydrophobicContact CG-CB 4.49Å
54	T	33.5	Very low	31.7	Very low	26 Å²	26	77.4 Å²	77.4	16%	0.16	46%	0.457	C	S	.	.			trans	-123.4	63.6	-152	38.1	0	0	0	0	110.2	L50 K51 Q52 D433	L50-T54 WeakPolarHBondContact O-CG2 3.42Å; L50-T54 PolarHBondContact O-OG1 2.88Å; K51-T54 VanDerWaalsContact CA-OG1 3.3Å; K51-T54 WeakPolarHBondContact CA-OG1 3.37Å; K51-T54 PolarHBondContact O-OG1 3.35Å; Q52-T54 PolarHBondContact N-OG1 2.93Å; Q52-T54 PolarHBondContact O-N 2.81Å; T54-D433 VanDerWaalsContact C-OD1 3.24Å; T54-D433 WeakPolarHBondContact CA-OD1 3.16Å; T54-D433 VanDerWaalsContact CA-OD2 3.22Å; T54-D433 WeakPolarHBondContact CA-OD2 3.24Å; T54-D433 WeakPolarHBondContact CB-OD2 3.34Å; T54-D433 HydrophobicContact CG2-CB 2.99Å; T54-D433 VanDerWaalsContact CG2-CG 3.47Å
55	N	32.3	Very low	31.6	Very low	10 Å²	10	80.3 Å²	80.3	5%	0.053	47%	0.466	C	S	.	.			trans	-152.4	54.1	-166	-84.7	-48.6	0	0	0	114.8	D145 D147 F150	N55-D145 HydrophobicContact CB-CB 3.93Å; N55-D145 WeakPolarHBondContact CB-OD2 3.41Å; N55-D145 WeakPolarHBondContact O-CB 3.46Å; N55-D147 PolarHBondContact ND2-OD2 3.12Å; N55-D147 WeakPolarHBondContact OD1-CB 3.25Å; N55-D147 PolarHBondContact OD1-N 3.42Å; N55-D147 VanDerWaalsContact OD1-N 3.09Å; N55-F150 VanDerWaalsContact O-CD2 3.32Å; N55-F150 WeakPolarHBondContact O-CD2 3.47Å
56	V	32.1	Very low	31.5	Very low	11 Å²	11	78 Å²	78	7%	0.067	46%	0.464	C	S	.	.	S	Bend	trans	-130.5	-20.9	-177.1	-173.6	0	0	0	0	116.8	F273	V56-F273 HydrophobicContact CB-CE2 4.07Å; V56-F273 HydrophobicContact CG1-CE2 3.66Å; V56-F273 HydrophobicContact CG1-CZ 4.29Å; V56-F273 HydrophobicContact CG2-CD2 3.57Å; V56-F273 HydrophobicContact CG2-CE1 4.47Å; V56-F273 HydrophobicContact CG2-CE2 3.13Å; V56-F273 HydrophobicContact CG2-CG 4.45Å; V56-F273 HydrophobicContact CG2-CZ 3.64Å
57	M	31.5	Very low	30.7	Very low	13 Å²	13	78.8 Å²	78.8	6%	0.064	49%	0.488	C	S	.	.	S	Bend	trans	-147.5	17.1	-167.3	-59.8	-159.8	-139.5	0	0	119.6	F152 Y258 Y382 N413	M57-F152 HydrophobicContact CB-CZ 3.9Å; M57-F152 HydrophobicContact CG-CE1 4Å; M57-F152 HydrophobicContact CG-CZ 3.61Å; M57-F152 HydrophobicContact SD-CE1 4.36Å; M57-F152 HydrophobicContact SD-CZ 4Å; M57-Y258 HydrophobicContact CB-CD2 4.26Å; M57-Y258 HydrophobicContact CB-CE2 3.9Å; M57-Y258 HydrophobicContact CE-CD1 3.46Å; M57-Y258 VanDerWaalsContact CE-CD1 3.46Å; M57-Y258 HydrophobicContact CE-CD2 4.35Å; M57-Y258 HydrophobicContact CE-CE1 3.52Å; M57-Y258 HydrophobicContact CE-CE2 4.4Å; M57-Y258 HydrophobicContact CE-CG 3.9Å; M57-Y258 HydrophobicContact CG-CE2 4.28Å; M57-Y258 HydrophobicContact SD-CD1 3.8Å; M57-Y258 HydrophobicContact SD-CD2 3.99Å; M57-Y258 HydrophobicContact SD-CE1 3.31Å; M57-Y258 WeakPolarHBondContact SD-CE1 3.34Å; M57-Y258 HydrophobicContact SD-CE2 3.52Å; M57-Y258 VanDerWaalsContact SD-CE2 3.52Å; M57-Y258 HydrophobicContact SD-CG 4.11Å; M57-Y258 PolarHBondContact SD-OH 3.38Å; M57-Y382 HydrophobicContact CE-CD1 4.38Å; M57-Y382 HydrophobicContact CE-CE1 3.29Å; M57-Y382 WeakPolarHBondContact CE-OH 3.16Å; M57-Y382 HydrophobicContact SD-CE1 3.45Å; M57-Y382 WeakPolarHBondContact SD-CE1 3.47Å; M57-Y382 PolarHBondContact SD-OH 3.3Å; M57-Y382 VanDerWaalsContact SD-OH 3.37Å; M57-N413 HydrophobicContact CE-CB 4.12Å; M57-N413 WeakPolarHBondContact CE-ND2 3.29Å
58	L	29.9	Very low	30.4	Very low	26 Å²	26	74.5 Å²	74.5	14%	0.136	49%	0.488	C	S	.	.			trans	-115.8	127.6	-171.4	-57.3	-178.1	0	0	0	114.7	S60 D435	L58-S60 PolarHBondContact O-N 3.39Å; L58-D435 VanDerWaalsContact CD2-O 3.3Å; L58-D435 WeakPolarHBondContact CD2-O 3.48Å
59	V	33.5	Very low	30.4	Very low	61 Å²	61	73.8 Å²	73.8	37%	0.37	50%	0.498	S	S	.	.			trans	-47	106	176.6	-172.2	0	0	0	0	111.9	G61 V143 T247	V59-G61 PolarHBondContact O-N 2.83Å; V59-V143 HydrophobicContact CG2-CG2 4.05Å; V59-T247 HydrophobicContact CB-CG2 3.98Å; V59-T247 WeakPolarHBondContact O-CG2 3.48Å
60	S	27.4	Very low	30.9	Very low	27 Å²	27	79.6 Å²	79.6	19%	0.189	52%	0.523	C	S	.	.			trans	-73.2	90	170.2	36	0	0	0	0	111.7	L58	L58-S60 PolarHBondContact O-N 3.39Å
61	G	27.5	Very low	31.8	Very low	62 Å²	62	83.4 Å²	83.4	64%	0.639	54%	0.535	S	S	*	.			trans	-94.1	107.7	147.4	0	0	0	0	0	108.6	V59 G63	V59-G61 PolarHBondContact O-N 2.83Å; G61-G63 PolarHBondContact O-N 2.88Å
62	S	27.6	Very low	33.1	Very low	122 Å²	122	83.3 Å²	83.3	85%	0.853	53%	0.534	S	S	*	.			trans	-49.6	105.8	177	55.1	0	0	0	0	111.9
63	G	27.6	Very low	34.2	Very low	63 Å²	63	79.8 Å²	79.8	65%	0.649	52%	0.521	S	S	*	.			trans	-160.9	82.2	173.1	0	0	0	0	0	108.5	G61 S65	G61-G63 PolarHBondContact O-N 2.88Å; G63-S65 PolarHBondContact O-N 3.47Å; G63-S65 VanDerWaalsContact O-N 3.07Å
64	S	27.8	Very low	35.8	Very low	112 Å²	112	78.5 Å²	78.5	78%	0.783	51%	0.513	S	S	*	.			trans	-47	110.2	174.6	46.9	0	0	0	0	111.8	S66	S64-S66 VanDerWaalsContact C-N 3.28Å; S64-S66 PolarHBondContact O-N 2.87Å; S64-S66 VanDerWaalsContact O-N 3.11Å
65	S	28.6	Very low	37.3	Very low	127 Å²	127	80.9 Å²	80.9	89%	0.888	53%	0.531	S	S	*	.			trans	-79	81.6	162.7	51.2	0	0	0	0	109.3	G63	G63-S65 PolarHBondContact O-N 3.47Å; G63-S65 VanDerWaalsContact O-N 3.07Å
66	S	29.3	Very low	39.4	Very low	102 Å²	102	85.2 Å²	85.2	71%	0.713	55%	0.554	S	S	*	*			trans	-92	108.9	154.5	53.9	0	0	0	0	108.5	S64	S64-S66 VanDerWaalsContact C-N 3.28Å; S64-S66 PolarHBondContact O-N 2.87Å; S64-S66 VanDerWaalsContact O-N 3.11Å
67	G	26.6	Very low	41.7	Very low	86 Å²	86	86.6 Å²	86.6	89%	0.887	56%	0.558	S	S	*	*	S	Bend	trans	56	103.2	152.3	0	0	0	0	0	118.5
68	G	27.4	Very low	44.2	Very low	73 Å²	73	94.1 Å²	94.1	75%	0.753	59%	0.586	S	S	*	*			trans	142.6	102.4	164	0	0	0	0	0	112.3	E70	G68-E70 PolarHBondContact O-N 3.43Å
69	T	34.5	Very low	47.1	Very low	153 Å²	153	94.2 Å²	94.2	94%	0.939	59%	0.585	S	S	*	*			trans	-72	65.2	168.2	30	0	0	0	0	110.4
70	E	43.1	Very low	49.7	Very low	175 Å²	175	92.8 Å²	92.8	82%	0.818	57%	0.573	S	S	*	*			trans	-76	120.3	158.1	-80.7	-173.2	160.6	0	0	107.9	G68 K72	G68-E70 PolarHBondContact O-N 3.43Å; E70-K72 PolarHBondContact O-N 2.93Å
71	K	49.7	Very low	52.6	Low	198 Å²	198	98.2 Å²	98.2	86%	0.861	59%	0.59	S	S	*	*			trans	-61.3	98	177.6	-71.8	-179.5	177.3	-179.7	0	109	S73	K71-S73 PolarHBondContact O-N 3.26Å
72	K	59.8	Low	55.6	Low	138 Å²	138	99.1 Å²	99.1	60%	0.6	58%	0.583	S	S	*	*			trans	-58.6	134.2	172.4	-68.8	-177.3	-179.9	174.9	0	109.7	E70 D76 Y77 L88	E70-K72 PolarHBondContact O-N 2.93Å; K72-D76 WeakPolarHBondContact CA-OD2 3.25Å; K72-Y77 HydrophobicContact CB-CE2 4.4Å; K72-L88 HydrophobicContact CB-CD1 4.31Å; K72-L88 VanDerWaalsContact O-CD1 3.31Å; K72-L88 WeakPolarHBondContact O-CD1 3.15Å
73	S	57.3	Low	58.7	Low	29 Å²	29	94 Å²	94	20%	0.203	55%	0.546	C	S	.	.			trans	-107.7	166.2	177.5	63.1	0	0	0	0	110.3	K71 S75 D76 Y77	K71-S73 PolarHBondContact O-N 3.26Å; S73-S75 PolarHBondContact O-N 3Å; S73-S75 PolarHBondContact OG-OG 3.27Å; S73-D76 PolarHBondContact N-OD2 3.2Å; S73-D76 PolarHBondContact O-N 3.27Å; S73-D76 PolarHBondContact OG-OD2 3.26Å; S73-D76 VanDerWaalsContact OG-OD2 3.07Å; S73-Y77 WeakPolarHBondContact O-CD2 3.43Å
74	K	65.2	Low	61.9	Low	35 Å²	35	91.4 Å²	91.4	15%	0.152	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.2	174.3	-164	-172.4	-177	-174.2	0	111.6	D76 Y77 W80 R81 Q83 V85 D87 P250	K74-D76 PolarHBondContact O-N 3.28Å; K74-Y77 PolarHBondContact O-N 2.89Å; K74-W80 WeakPolarHBondContact CE-O 3.32Å; K74-R81 HydrophobicContact CG-CB 4.3Å; K74-Q83 PolarHBondContact NZ-O 2.95Å; K74-V85 VanDerWaalsContact CE-O 3.3Å; K74-V85 WeakPolarHBondContact CE-O 3.31Å; K74-V85 PolarHBondContact NZ-O 3.07Å; K74-D87 HydrophobicContact CB-CB 4.07Å; K74-D87 VanDerWaalsContact CB-CG 3.48Å; K74-D87 WeakPolarHBondContact CB-OD2 3.35Å; K74-D87 HydrophobicContact CD-CB 4.45Å; K74-D87 PolarHBondContact N-OD1 3.33Å; K74-D87 PolarHBondContact N-OD2 2.89Å; K74-P250 HydrophobicContact CB-CB 4.36Å; K74-P250 HydrophobicContact CB-CG 4.45Å; K74-P250 HydrophobicContact CG-CB 3.95Å; K74-P250 HydrophobicContact CG-CG 4.13Å
75	S	64	Low	65.1	Low	76 Å²	76	86.2 Å²	86.2	53%	0.531	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24.8	179	42.8	0	0	0	0	114.4	S73 Y77	S73-S75 PolarHBondContact O-N 3Å; S73-S75 PolarHBondContact OG-OG 3.27Å; S75-Y77 PolarHBondContact O-N 3.48Å
76	D	76.7	Confident	68.2	Low	101 Å²	101	80.6 Å²	80.6	54%	0.54	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-72.2	-20.8	176.5	-57.7	-40.4	0	0	0	112.1	K72 S73 K74 R78	K72-D76 WeakPolarHBondContact CA-OD2 3.25Å; S73-D76 PolarHBondContact N-OD2 3.2Å; S73-D76 PolarHBondContact O-N 3.27Å; S73-D76 PolarHBondContact OG-OD2 3.26Å; S73-D76 VanDerWaalsContact OG-OD2 3.07Å; K74-D76 PolarHBondContact O-N 3.28Å; D76-R78 PolarHBondContact O-N 2.84Å
77	Y	79.9	Confident	71.1	Confident	39 Å²	39	77.5 Å²	77.5	15%	0.153	42%	0.416	C	S	.	.			trans	-95.6	91.7	-179.4	-64.2	-97.7	0	0	0	111.5	K72 S73 K74 S75 F79 W80 R81 L88 L248 L249 P250	K72-Y77 HydrophobicContact CB-CE2 4.4Å; S73-Y77 WeakPolarHBondContact O-CD2 3.43Å; K74-Y77 PolarHBondContact O-N 2.89Å; S75-Y77 PolarHBondContact O-N 3.48Å; Y77-F79 PolarHBondContact O-N 2.61Å; Y77-W80 AromaticContact CD1-CD1 4Å; Y77-W80 PolarHBondContact O-N 3.18Å; Y77-R81 VanDerWaalsContact O-CB 3.32Å; Y77-R81 WeakPolarHBondContact O-CB 3.43Å; Y77-R81 WeakPolarHBondContact O-CG 3.49Å; Y77-R81 PolarHBondContact O-N 3.08Å; Y77-L88 HydrophobicContact CE2-CD1 3.83Å; Y77-L248 PolarHBondContact OH-O 3.3Å; Y77-L249 HydrophobicContact CE1-CD2 4.29Å; Y77-P250 HydrophobicContact CD1-CG 4.3Å; Y77-P250 HydrophobicContact CD2-CG 3.46Å; Y77-P250 VanDerWaalsContact CD2-CG 3.46Å; Y77-P250 HydrophobicContact CE2-CG 3.75Å; Y77-P250 HydrophobicContact CG-CG 3.77Å
78	R	85.7	Confident	74.1	Confident	172 Å²	172	74.9 Å²	74.9	65%	0.649	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-35.6	-176.9	-68.4	-177.1	179.7	179.6	-1.8	115.6	D76 R81	D76-R78 PolarHBondContact O-N 2.84Å; R78-R81 PolarHBondContact O-NE 2.56Å
79	F	89.3	Confident	77	Confident	27 Å²	27	76 Å²	76	12%	0.118	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-54.3	177.8	172.8	-107.8	0	0	0	111.9	Y77 R81 T82 Q83 P223 I226 R227	Y77-F79 PolarHBondContact O-N 2.61Å; F79-R81 PolarHBondContact O-N 2.96Å; F79-T82 PolarHBondContact O-N 3.13Å; F79-T82 PolarHBondContact O-OG1 3.06Å; F79-T82 VanDerWaalsContact O-OG1 3.13Å; F79-Q83 HydrophobicContact CD1-CG 4.33Å; F79-Q83 HydrophobicContact CE1-CG 3.91Å; F79-Q83 HydrophobicContact CE2-CG 4.41Å; F79-Q83 HydrophobicContact CZ-CG 3.96Å; F79-P223 HydrophobicContact CB-CG 4.32Å; F79-P223 HydrophobicContact CD2-CB 3.62Å; F79-P223 HydrophobicContact CD2-CG 4.15Å; F79-P223 HydrophobicContact CE2-CB 3.8Å; F79-P223 HydrophobicContact CG-CB 4.07Å; F79-P223 HydrophobicContact CG-CG 4.09Å; F79-P223 HydrophobicContact CZ-CB 4.42Å; F79-I226 HydrophobicContact CE1-CB 4.4Å; F79-I226 HydrophobicContact CE1-CD1 3.86Å; F79-I226 HydrophobicContact CE1-CG2 4.07Å; F79-I226 HydrophobicContact CZ-CB 4.01Å; F79-I226 HydrophobicContact CZ-CD1 4.3Å; F79-I226 HydrophobicContact CZ-CG2 3.73Å; F79-R227 HydrophobicContact CE2-CG 4.19Å
80	W	89.7	Confident	79.6	Confident	32 Å²	32	71.4 Å²	71.4	12%	0.121	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-63.6	-27.4	-175.1	-67.8	108.6	0	0	0	113.6	K74 Y77 T82 Q83 V85 F243 L249 P250	K74-W80 WeakPolarHBondContact CE-O 3.32Å; Y77-W80 AromaticContact CD1-CD1 4Å; Y77-W80 PolarHBondContact O-N 3.18Å; W80-T82 PolarHBondContact O-N 3.34Å; W80-T82 VanDerWaalsContact O-N 3.13Å; W80-Q83 HydrophobicContact CE3-CB 4.08Å; W80-Q83 HydrophobicContact CE3-CG 3.97Å; W80-Q83 HydrophobicContact CZ3-CG 4.44Å; W80-Q83 PolarHBondContact O-N 3.49Å; W80-V85 HydrophobicContact CE3-CG1 4.37Å; W80-V85 HydrophobicContact CE3-CG2 4.17Å; W80-V85 HydrophobicContact CZ3-CG1 4.29Å; W80-F243 HydrophobicContact CH2-CE1 4.5Å; W80-F243 HydrophobicContact CH2-CE2 4.04Å; W80-F243 AromaticContact CH2-CZ 3.66Å; W80-F243 HydrophobicContact CH2-CZ 3.66Å; W80-F243 HydrophobicContact CZ3-CZ 4.07Å; W80-L249 HydrophobicContact CZ2-CD1 3.8Å; W80-P250 HydrophobicContact CB-CG 4.18Å
81	R	87.8	Confident	81.9	Confident	141 Å²	141	71.8 Å²	71.8	53%	0.532	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.6	171.7	75.7	-173.1	-175.7	169	9.4	114.3	K74 Y77 R78 F79	K74-R81 HydrophobicContact CG-CB 4.3Å; Y77-R81 VanDerWaalsContact O-CB 3.32Å; Y77-R81 WeakPolarHBondContact O-CB 3.43Å; Y77-R81 WeakPolarHBondContact O-CG 3.49Å; Y77-R81 PolarHBondContact O-N 3.08Å; R78-R81 PolarHBondContact O-NE 2.56Å; F79-R81 PolarHBondContact O-N 2.96Å
82	T	90	Very high	83.9	Confident	80 Å²	80	63.5 Å²	63.5	49%	0.491	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-98.3	6.7	179.1	85.4	0	0	0	0	112.9	F79 W80	F79-T82 PolarHBondContact O-N 3.13Å; F79-T82 PolarHBondContact O-OG1 3.06Å; F79-T82 VanDerWaalsContact O-OG1 3.13Å; W80-T82 PolarHBondContact O-N 3.34Å; W80-T82 VanDerWaalsContact O-N 3.13Å
83	Q	93.7	Very high	85.4	Confident	16 Å²	16	63.3 Å²	63.3	8%	0.075	32%	0.319	C	S	.	.	S	Bend	trans	-103.5	151.9	-179.4	-58.4	-51.6	-63.5	0	0	110.3	K74 F79 W80 V85 Y441	K74-Q83 PolarHBondContact NZ-O 2.95Å; F79-Q83 HydrophobicContact CD1-CG 4.33Å; F79-Q83 HydrophobicContact CE1-CG 3.91Å; F79-Q83 HydrophobicContact CE2-CG 4.41Å; F79-Q83 HydrophobicContact CZ-CG 3.96Å; W80-Q83 HydrophobicContact CE3-CB 4.08Å; W80-Q83 HydrophobicContact CE3-CG 3.97Å; W80-Q83 HydrophobicContact CZ3-CG 4.44Å; W80-Q83 PolarHBondContact O-N 3.49Å; Q83-V85 HydrophobicContact CB-CG2 4.28Å; Q83-V85 PolarHBondContact O-N 2.98Å; Q83-Y441 HydrophobicContact CB-CE2 4.21Å; Q83-Y441 PolarHBondContact OE1-OH 2.9Å
84	P	94.6	Very high	87.2	Confident	7 Å²	7	65.6 Å²	65.6	5%	0.045	33%	0.329	C	S	.	.	S	Bend	trans	-74.2	72.3	174.7	32.6	-36.9	0	0	0	110.1	I98 E99 Y441 N442	P84-I98 HydrophobicContact CB-CB 4.3Å; P84-I98 HydrophobicContact CB-CG2 4.18Å; P84-I98 WeakPolarHBondContact O-CD1 2.96Å; P84-E99 HydrophobicContact CB-CG 3.98Å; P84-Y441 VanDerWaalsContact CD-OH 3.31Å; P84-Y441 WeakPolarHBondContact CD-OH 3.4Å; P84-Y441 HydrophobicContact CG-CD1 4.32Å; P84-Y441 HydrophobicContact CG-CE1 3.63Å; P84-Y441 HydrophobicContact CG-CE2 3.92Å; P84-Y441 VanDerWaalsContact CG-CZ 3.41Å; P84-Y441 WeakPolarHBondContact CG-OH 3.45Å; P84-N442 HydrophobicContact CB-CB 4.09Å; P84-N442 HydrophobicContact CG-CB 3.88Å; P84-N442 WeakPolarHBondContact O-CA 3.37Å; P84-N442 PolarHBondContact O-N 3.37Å
85	V	94.4	Very high	88.6	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.024	33%	0.327	C	S	.	.			trans	-136.3	150.6	174.8	-63	0	0	0	0	108.8	K74 W80 Q83 P250 Y441	K74-V85 VanDerWaalsContact CE-O 3.3Å; K74-V85 WeakPolarHBondContact CE-O 3.31Å; K74-V85 PolarHBondContact NZ-O 3.07Å; W80-V85 HydrophobicContact CE3-CG1 4.37Å; W80-V85 HydrophobicContact CE3-CG2 4.17Å; W80-V85 HydrophobicContact CZ3-CG1 4.29Å; Q83-V85 HydrophobicContact CB-CG2 4.28Å; Q83-V85 PolarHBondContact O-N 2.98Å; V85-P250 WeakPolarHBondContact CB-O 3.42Å; V85-P250 VanDerWaalsContact CG2-O 3.22Å; V85-P250 WeakPolarHBondContact CG2-O 3.38Å; V85-Y441 HydrophobicContact CG1-CD2 4.36Å
86	P	93.6	Very high	90.2	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.052	31%	0.305	C	S	.	.			trans	-65	160.7	179.8	-20.4	34.4	0	0	0	113	E90 I92 I98 K251 R444	P86-E90 WeakPolarHBondContact CA-OE2 3.42Å; P86-E90 WeakPolarHBondContact CB-OE2 3.25Å; P86-I92 HydrophobicContact CB-CD1 3.59Å; P86-I92 HydrophobicContact CG-CD1 3.5Å; P86-I98 HydrophobicContact CG-CD1 4Å; P86-K251 HydrophobicContact CB-CB 4.23Å; P86-R444 HydrophobicContact CG-CB 4.29Å
87	D	90.4	Very high	91.1	Very high	37 Å²	37	59.7 Å²	59.7	20%	0.198	30%	0.298	C	S	.	.			trans	-71.4	151.4	166.3	-164.5	-63.4	0	0	0	110.3	K74 T89 E90 K251	K74-D87 HydrophobicContact CB-CB 4.07Å; K74-D87 VanDerWaalsContact CB-CG 3.48Å; K74-D87 WeakPolarHBondContact CB-OD2 3.35Å; K74-D87 HydrophobicContact CD-CB 4.45Å; K74-D87 PolarHBondContact N-OD1 3.33Å; K74-D87 PolarHBondContact N-OD2 2.89Å; D87-T89 PolarHBondContact O-N 3.36Å; D87-T89 PolarHBondContact OD1-N 3.26Å; D87-T89 PolarHBondContact OD1-OG1 2.86Å; D87-E90 HydrophobicContact CB-CB 4.16Å; D87-E90 PolarHBondContact N-OE2 2.66Å; D87-E90 WeakPolarHBondContact O-CB 3.27Å; D87-E90 PolarHBondContact O-N 3.45Å; D87-K251 WeakPolarHBondContact O-CD 3.19Å
88	L	89.6	Confident	91.9	Very high	32 Å²	32	60 Å²	60	17%	0.168	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.3	174.8	-75.1	169.7	0	0	0	112.4	K72 Y77 L248 P250 K251	K72-L88 HydrophobicContact CB-CD1 4.31Å; K72-L88 VanDerWaalsContact O-CD1 3.31Å; K72-L88 WeakPolarHBondContact O-CD1 3.15Å; Y77-L88 HydrophobicContact CE2-CD1 3.83Å; L88-L248 HydrophobicContact CD2-CD1 4.39Å; L88-L248 HydrophobicContact CD2-CG 4.47Å; L88-P250 HydrophobicContact CD1-CG 4.34Å; L88-P250 HydrophobicContact CD2-CB 4.48Å; L88-P250 HydrophobicContact CG-CB 4.05Å; L88-P250 HydrophobicContact CG-CG 4.19Å; L88-K251 HydrophobicContact CD2-CB 4.42Å; L88-K251 HydrophobicContact CD2-CG 4.36Å
89	T	87.7	Confident	92.4	Very high	96 Å²	96	56.6 Å²	56.6	59%	0.589	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-5.9	-177.3	57.7	0	0	0	0	114.1	D87	D87-T89 PolarHBondContact O-N 3.36Å; D87-T89 PolarHBondContact OD1-N 3.26Å; D87-T89 PolarHBondContact OD1-OG1 2.86Å
90	E	90	Very high	92.6	Very high	56 Å²	56	60.5 Å²	60.5	26%	0.262	32%	0.321	S	S	.	.			trans	-71.6	127.9	-178.9	-171	177.3	160.4	0	0	110.8	P86 D87 I92 K251 R444	P86-E90 WeakPolarHBondContact CA-OE2 3.42Å; P86-E90 WeakPolarHBondContact CB-OE2 3.25Å; D87-E90 HydrophobicContact CB-CB 4.16Å; D87-E90 PolarHBondContact N-OE2 2.66Å; D87-E90 WeakPolarHBondContact O-CB 3.27Å; D87-E90 PolarHBondContact O-N 3.45Å; E90-I92 HydrophobicContact CG-CG1 4.05Å; E90-K251 PolarHBondContact O-NZ 2.86Å; E90-R444 IonicContact OE1-CZ 3.76Å; E90-R444 IonicContact OE1-NE 3.8Å; E90-R444 IonicContact OE1-NH2 2.73Å; E90-R444 PolarHBondContact OE1-NH2 3.32Å
91	E	90.7	Very high	92.9	Very high	184 Å²	184	62.6 Å²	62.6	86%	0.86	34%	0.335	S	S	*	.			trans	-88.6	123.4	167.3	-68.8	-172.8	175	0	0	109.1
92	I	92.5	Very high	93.2	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.118	33%	0.328	C	S	.	.			trans	-115.1	125.6	-172.1	-55.5	170.8	0	0	0	108.1	P86 E90 D94 R444	P86-I92 HydrophobicContact CB-CD1 3.59Å; P86-I92 HydrophobicContact CG-CD1 3.5Å; E90-I92 HydrophobicContact CG-CG1 4.05Å; I92-D94 WeakPolarHBondContact CG2-O 3.49Å; I92-D94 WeakPolarHBondContact CG2-OD1 3.48Å; I92-R444 HydrophobicContact CD1-CB 4.23Å; I92-R444 HydrophobicContact CG2-CB 3.97Å
93	T	91.7	Very high	93.3	Very high	135 Å²	135	61.9 Å²	61.9	83%	0.828	34%	0.336	S	S	*	.			trans	-117.6	-17.8	177.9	53.4	0	0	0	0	112.7
94	D	93.4	Very high	93.3	Very high	76 Å²	76	67 Å²	67	41%	0.406	36%	0.36	S	S	.	.			trans	-93.1	160.7	177.5	61.9	-36.2	0	0	0	112.2	I92 R444 C445	I92-D94 WeakPolarHBondContact CG2-O 3.49Å; I92-D94 WeakPolarHBondContact CG2-OD1 3.48Å; D94-R444 WeakPolarHBondContact OD1-CD 3.45Å; D94-R444 WeakPolarHBondContact OD2-CD 3.12Å; D94-C445 WeakPolarHBondContact O-CA 3.31Å
95	N	96.2	Very high	93.3	Very high	21 Å²	21	75.2 Å²	75.2	11%	0.112	40%	0.397	C	S	.	.			trans	-124.6	112.4	178	-178.7	31.3	0	0	0	109.4	I197 D199 K200 W443 R444	N95-I197 PolarHBondContact ND2-O 3.39Å; N95-D199 PolarHBondContact ND2-OD1 2.94Å; N95-K200 WeakPolarHBondContact O-CE 3.05Å; N95-K200 PolarHBondContact O-NZ 3.08Å; N95-W443 PolarHBondContact OD1-NE1 3.47Å; N95-R444 CarbonylContact C-O 3.54Å; N95-R444 WeakPolarHBondContact CA-O 3.48Å
96	G	96.6	Very high	93.3	Very high	6 Å²	6	80.6 Å²	80.6	6%	0.062	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	168.4	-178.7	-177.9	0	0	0	0	0	115.9	W443 R444	G96-W443 WeakPolarHBondContact O-CA 3.32Å; G96-R444 PolarHBondContact N-O 2.81Å; G96-R444 VanDerWaalsContact O-CG 3.27Å; G96-R444 WeakPolarHBondContact O-CG 3.29Å; G96-R444 PolarHBondContact O-N 3.49Å
97	P	96.6	Very high	93.3	Very high	62 Å²	62	81 Å²	81	40%	0.403	43%	0.428	S	S	.	.			trans	-69.1	148	179.1	29.6	-34.5	0	0	0	111.9	N442 W443	P97-N442 WeakPolarHBondContact CA-O 3.33Å; P97-W443 HydrophobicContact CB-CE3 4.35Å; P97-W443 HydrophobicContact CB-CZ3 4.5Å
98	I	96.2	Very high	93.6	Very high	44 Å²	44	84.3 Å²	84.3	23%	0.226	44%	0.437	C	S	.	.	S	Bend	trans	-83.3	-42.1	178	-66.2	168.2	0	0	0	110.3	P84 P86 N442 R444	P84-I98 HydrophobicContact CB-CB 4.3Å; P84-I98 HydrophobicContact CB-CG2 4.18Å; P84-I98 WeakPolarHBondContact O-CD1 2.96Å; P86-I98 HydrophobicContact CG-CD1 4Å; I98-N442 PolarHBondContact N-O 3.44Å; I98-N442 PolarHBondContact N-OD1 3.07Å; I98-R444 HydrophobicContact CD1-CB 4.33Å; I98-R444 HydrophobicContact CG1-CB 3.97Å; I98-R444 HydrophobicContact CG1-CG 4Å
99	E	95.2	Very high	93.8	Very high	101 Å²	101	86.9 Å²	86.9	47%	0.472	46%	0.458	S	S	.	.	S	Bend	trans	-120.1	144	174.2	-67.9	176.6	-175.4	0	0	109.5	P84 N442	P84-E99 HydrophobicContact CB-CG 3.98Å; E99-N442 PolarHBondContact N-OD1 2.79Å; E99-N442 PolarHBondContact O-ND2 3.26Å; E99-N442 PolarHBondContact O-OD1 2.86Å
100	P	95.1	Very high	94.2	Very high	109 Å²	109	88.4 Å²	88.4	71%	0.708	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-65.3	150.5	176.1	28.8	-34.8	0	0	0	111.6	S102	P100-S102 PolarHBondContact O-N 2.85Å
101	D	95.5	Very high	94.5	Very high	77 Å²	77	88.1 Å²	88.1	41%	0.412	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-57.8	124.3	176.3	-66.6	-5.2	0	0	0	109.7	K202 F239 Q240	D101-K202 IonicContact OD2-NZ 3.67Å; D101-K202 PolarHBondContact OD2-NZ 2.93Å; D101-F239 HydrophobicContact CB-CD1 4.48Å; D101-F239 HydrophobicContact CB-CD2 3.55Å; D101-F239 HydrophobicContact CB-CE2 3.7Å; D101-F239 HydrophobicContact CB-CG 3.98Å; D101-F239 HydrophobicContact CB-CZ 4.23Å; D101-F239 WeakPolarHBondContact OD1-CB 3.3Å; D101-Q240 PolarHBondContact OD1-NE2 2.8Å
102	S	92.9	Very high	94.7	Very high	55 Å²	55	83 Å²	83	39%	0.385	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-73	146.7	-179.8	-53.8	0	0	0	0	110.9	P100 F239	P100-S102 PolarHBondContact O-N 2.85Å; S102-F239 WeakPolarHBondContact O-CZ 3.3Å
103	K	93.5	Very high	94.8	Very high	151 Å²	151	87.4 Å²	87.4	66%	0.657	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-67.6	149.4	172.2	-61.2	178.7	-179.8	177.2	0	109.5	E105 D106 I107	K103-E105 PolarHBondContact O-N 3.17Å; K103-E105 VanDerWaalsContact O-N 3.14Å; K103-D106 WeakPolarHBondContact CB-OD2 3.44Å; K103-D106 WeakPolarHBondContact O-CB 3.29Å; K103-D106 PolarHBondContact O-N 2.81Å; K103-I107 WeakPolarHBondContact O-CG1 3.39Å
104	H	92.4	Very high	94.9	Very high	123 Å²	123	82.4 Å²	82.4	57%	0.569	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-54.7	-36.6	-179.3	-172.2	82	0	0	0	112.8	D106 I107 L235	H104-D106 VanDerWaalsContact C-N 3.29Å; H104-D106 PolarHBondContact O-N 3.04Å; H104-I107 PolarHBondContact O-N 2.9Å; H104-L235 PolarHBondContact CE1-O 2.83Å; H104-L235 VanDerWaalsContact CE1-O 3.25Å; H104-L235 PolarHBondContact ND1-O 2.79Å
105	E	94.4	Very high	94.8	Very high	179 Å²	179	81.7 Å²	81.7	84%	0.836	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-65.8	-28.1	178.5	-62.3	167.8	-159.7	0	0	113.5	K103 I107	K103-E105 PolarHBondContact O-N 3.17Å; K103-E105 VanDerWaalsContact O-N 3.14Å; E105-I107 VanDerWaalsContact C-N 3.31Å
106	D	94.4	Very high	94.6	Very high	117 Å²	117	90.1 Å²	90.1	63%	0.626	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-82.8	-12.3	179.5	-59.4	-38.4	0	0	0	111.9	K103 H104	K103-D106 WeakPolarHBondContact CB-OD2 3.44Å; K103-D106 WeakPolarHBondContact O-CB 3.29Å; K103-D106 PolarHBondContact O-N 2.81Å; H104-D106 VanDerWaalsContact C-N 3.29Å; H104-D106 PolarHBondContact O-N 3.04Å
107	I	95	Very high	94.5	Very high	17 Å²	17	91.3 Å²	91.3	9%	0.087	48%	0.482	C	S	.	.	S	Bend	trans	-84.4	126.7	-177.7	-58.6	162.1	0	0	0	109.1	K103 H104 E105 S109 H234 L235 F239	K103-I107 WeakPolarHBondContact O-CG1 3.39Å; H104-I107 PolarHBondContact O-N 2.9Å; E105-I107 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.3Å; I107-H234 HydrophobicContact CD1-CB 3.98Å; I107-H234 WeakPolarHBondContact CD1-O 3.5Å; I107-H234 HydrophobicContact CG1-CB 4.27Å; I107-H234 HydrophobicContact CG2-CB 3.89Å; I107-L235 HydrophobicContact CB-CD2 4.17Å; I107-L235 HydrophobicContact CG2-CD2 3.7Å; I107-L235 HydrophobicContact CG2-CG 3.8Å; I107-F239 HydrophobicContact CD1-CE1 3.97Å; I107-F239 HydrophobicContact CD1-CZ 4.07Å
108	R	95.7	Very high	94.4	Very high	106 Å²	106	90.6 Å²	90.6	40%	0.4	47%	0.472	S	S	.	.			trans	-53.5	113.4	179.4	-173.8	-171.9	169.7	131.2	-2.7	111.4	Q110 P111 R231	R108-Q110 VanDerWaalsContact CD-O 3.3Å; R108-Q110 WeakPolarHBondContact CD-O 3.49Å; R108-Q110 VanDerWaalsContact CG-O 3.27Å; R108-Q110 WeakPolarHBondContact CG-O 3.45Å; R108-Q110 PolarHBondContact NE-O 3.07Å; R108-P111 PolarHBondContact NE-O 3.25Å; R108-P111 PolarHBondContact NH2-O 2.59Å; R108-R231 HydrophobicContact CB-CG 4.33Å; R108-R231 VanDerWaalsContact O-CD 3.25Å; R108-R231 WeakPolarHBondContact O-CD 3.49Å; R108-R231 VanDerWaalsContact O-CG 3.31Å; R108-R231 WeakPolarHBondContact O-CG 3.13Å; R108-R231 PolarHBondContact O-NH1 3.43Å
109	S	94.1	Very high	94.5	Very high	87 Å²	87	92.4 Å²	92.4	61%	0.608	48%	0.477	S	S	*	.			trans	-70.1	-36.6	179.3	58.9	0	0	0	0	113.2	I107 R231	I107-S109 PolarHBondContact O-N 3.3Å; S109-R231 PolarHBondContact O-NH1 3.34Å
110	Q	95.6	Very high	94.6	Very high	127 Å²	127	89.5 Å²	89.5	59%	0.593	46%	0.462	S	S	*	.	S	Bend	trans	-86.8	145.1	-178.8	-63.4	-59	-38.3	0	0	112.7	R108 R231	R108-Q110 VanDerWaalsContact CD-O 3.3Å; R108-Q110 WeakPolarHBondContact CD-O 3.49Å; R108-Q110 VanDerWaalsContact CG-O 3.27Å; R108-Q110 WeakPolarHBondContact CG-O 3.45Å; R108-Q110 PolarHBondContact NE-O 3.07Å; Q110-R231 WeakPolarHBondContact O-CD 3.46Å
111	P	96.8	Very high	94.7	Very high	51 Å²	51	85.3 Å²	85.3	33%	0.331	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-53.7	154.2	174.4	-25.5	34.4	0	0	0	113.4	R108 W120 E228	R108-P111 PolarHBondContact NE-O 3.25Å; R108-P111 PolarHBondContact NH2-O 2.59Å; P111-W120 HydrophobicContact CB-CG 4.49Å; P111-E228 WeakPolarHBondContact CA-OE2 3.47Å
112	Y	95.6	Very high	94.8	Very high	77 Å²	77	85.4 Å²	85.4	30%	0.302	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-63.5	142.9	171.2	-82.5	-84.7	0	0	0	111.4	L114 W120 R227 E228 R231	Y112-L114 PolarHBondContact O-N 2.74Å; Y112-W120 PolarHBondContact O-NE1 3.14Å; Y112-R227 HydrophobicContact CD2-CB 3.95Å; Y112-R227 HydrophobicContact CE1-CB 4.41Å; Y112-R227 HydrophobicContact CE2-CB 3.78Å; Y112-R227 VanDerWaalsContact CE2-O 3.29Å; Y112-R227 WeakPolarHBondContact CE2-O 3.22Å; Y112-R227 HydrophobicContact CG-CB 4.31Å; Y112-E228 PolarHBondContact N-OE2 3.33Å; Y112-R231 HydrophobicContact CD2-CB 4.36Å; Y112-R231 HydrophobicContact CE2-CB 3.94Å; Y112-R231 HydrophobicContact CE2-CG 4.31Å
113	T	94.4	Very high	95	Very high	115 Å²	115	82.9 Å²	82.9	71%	0.706	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-64.9	133.2	180	-50	0	0	0	0	110.7
114	L	94	Very high	95.1	Very high	30 Å²	30	77.9 Å²	77.9	16%	0.157	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-101.9	156	174.1	-71.3	173.4	0	0	0	110.9	Y112 F118 W120 L176 V224	Y112-L114 PolarHBondContact O-N 2.74Å; L114-F118 HydrophobicContact CB-CB 4.32Å; L114-F118 HydrophobicContact CD1-CB 4.16Å; L114-W120 HydrophobicContact CD1-CD2 3.71Å; L114-W120 HydrophobicContact CD1-CE3 4.35Å; L114-W120 HydrophobicContact CD1-CG 3.81Å; L114-W120 HydrophobicContact CD1-CZ2 4.25Å; L114-W120 HydrophobicContact CD2-CD2 4.36Å; L114-W120 HydrophobicContact CD2-CH2 3.82Å; L114-W120 HydrophobicContact CD2-CZ2 3.41Å; L114-W120 VanDerWaalsContact CD2-CZ2 3.41Å; L114-W120 HydrophobicContact CD2-CZ3 4.41Å; L114-W120 HydrophobicContact CG-CD2 4.21Å; L114-W120 HydrophobicContact CG-CZ2 3.84Å; L114-L176 HydrophobicContact CD1-CD1 3.44Å; L114-L176 VanDerWaalsContact CD1-CD1 3.44Å; L114-L176 HydrophobicContact CD2-CD1 3.56Å; L114-L176 HydrophobicContact CG-CD1 4.13Å; L114-V224 HydrophobicContact CD2-CG1 3.75Å
115	P	90	Very high	95.2	Very high	60 Å²	60	72 Å²	72	39%	0.39	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-57.4	153.2	165.1	-18.6	30.9	0	0	0	111.1	G117 F118 M221	P115-G117 PolarHBondContact O-N 3.24Å; P115-F118 HydrophobicContact CB-CD2 4.06Å; P115-F118 HydrophobicContact CB-CE2 4.3Å; P115-F118 HydrophobicContact CG-CD2 4.44Å; P115-F118 PolarHBondContact O-N 3.18Å; P115-M221 HydrophobicContact CG-CE 3.93Å
116	E	92.1	Very high	95.2	Very high	198 Å²	198	68.5 Å²	68.5	93%	0.925	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	139.6	175	-167.2	-175	166.3	0	0	111.2
117	G	94.2	Very high	95.3	Very high	31 Å²	31	66 Å²	66	32%	0.32	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	5.6	-179.8	0	0	0	0	0	115.2	P115 V178 T179	P115-G117 PolarHBondContact O-N 3.24Å; G117-V178 CarbonylContact O-C 3.56Å; G117-V178 WeakPolarHBondContact O-CA 3.42Å; G117-T179 PolarHBondContact O-N 3.33Å; G117-T179 PolarHBondContact O-OG1 3.04Å
118	F	96.4	Very high	95.4	Very high	47 Å²	47	71.3 Å²	71.3	21%	0.206	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	155.1	171	-57.3	-86.7	0	0	0	112	L114 P115 L176 R177 V178 T179 V185 L216	L114-F118 HydrophobicContact CB-CB 4.32Å; L114-F118 HydrophobicContact CD1-CB 4.16Å; P115-F118 HydrophobicContact CB-CD2 4.06Å; P115-F118 HydrophobicContact CB-CE2 4.3Å; P115-F118 HydrophobicContact CG-CD2 4.44Å; P115-F118 PolarHBondContact O-N 3.18Å; F118-L176 HydrophobicContact CB-CD1 3.88Å; F118-L176 HydrophobicContact CD1-CD2 4.37Å; F118-L176 HydrophobicContact CD1-CG 4.27Å; F118-L176 HydrophobicContact CG-CD1 4.49Å; F118-R177 CarbonylContact C-O 3.54Å; F118-R177 VanDerWaalsContact CA-O 3.23Å; F118-R177 WeakPolarHBondContact CA-O 3.12Å; F118-V178 HydrophobicContact CD1-CG2 4.13Å; F118-V178 HydrophobicContact CE1-CG2 3.84Å; F118-T179 PolarHBondContact N-OG1 3.05Å; F118-V185 HydrophobicContact CD1-CG2 4.15Å; F118-V185 HydrophobicContact CE1-CG2 4.06Å; F118-L216 HydrophobicContact CE1-CD1 3.75Å; F118-L216 HydrophobicContact CE1-CD2 4.41Å; F118-L216 HydrophobicContact CZ-CD1 4.16Å; F118-L216 HydrophobicContact CZ-CD2 4.04Å
119	Y	97.2	Very high	95.4	Very high	83 Å²	83	70.5 Å²	70.5	33%	0.325	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.7	171	70.4	-82.5	0	0	0	111.5	C121 R177	Y119-C121 HydrophobicContact CE2-CB 4.4Å; Y119-R177 HydrophobicContact CD1-CB 3.97Å; Y119-R177 HydrophobicContact CE1-CB 3.41Å; Y119-R177 VanDerWaalsContact CE1-CB 3.41Å; Y119-R177 HydrophobicContact CE2-CB 4.01Å; Y119-R177 HydrophobicContact CG-CB 4.49Å; Y119-R177 VanDerWaalsContact CZ-CB 3.44Å; Y119-R177 PolarHBondContact N-O 3.01Å; Y119-R177 PolarHBondContact O-N 2.93Å; Y119-R177 WeakPolarHBondContact OH-CD 3.34Å
120	W	97.8	Very high	95.6	Very high	40 Å²	40	68.9 Å²	68.9	15%	0.152	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	142.7	174.9	-65.7	117.9	0	0	0	111.3	P111 Y112 L114 V174 L176 V224 L225 E228	P111-W120 HydrophobicContact CB-CG 4.49Å; Y112-W120 PolarHBondContact O-NE1 3.14Å; L114-W120 HydrophobicContact CD1-CD2 3.71Å; L114-W120 HydrophobicContact CD1-CE3 4.35Å; L114-W120 HydrophobicContact CD1-CG 3.81Å; L114-W120 HydrophobicContact CD1-CZ2 4.25Å; L114-W120 HydrophobicContact CD2-CD2 4.36Å; L114-W120 HydrophobicContact CD2-CH2 3.82Å; L114-W120 HydrophobicContact CD2-CZ2 3.41Å; L114-W120 VanDerWaalsContact CD2-CZ2 3.41Å; L114-W120 HydrophobicContact CD2-CZ3 4.41Å; L114-W120 HydrophobicContact CG-CD2 4.21Å; L114-W120 HydrophobicContact CG-CZ2 3.84Å; W120-V174 HydrophobicContact CE3-CG1 3.77Å; W120-V174 HydrophobicContact CZ3-CG1 3.75Å; W120-L176 HydrophobicContact CE3-CD1 4.25Å; W120-L176 HydrophobicContact CZ3-CD1 4.25Å; W120-V224 HydrophobicContact CH2-CG1 3.79Å; W120-V224 HydrophobicContact CZ2-CG1 3.74Å; W120-L225 HydrophobicContact CH2-CD2 4.48Å; W120-L225 HydrophobicContact CZ3-CD2 3.84Å; W120-E228 HydrophobicContact CD2-CG 4.08Å; W120-E228 HydrophobicContact CE3-CG 4.16Å; W120-E228 HydrophobicContact CH2-CB 3.57Å; W120-E228 HydrophobicContact CH2-CG 3.94Å; W120-E228 HydrophobicContact CZ2-CB 3.66Å; W120-E228 HydrophobicContact CZ2-CG 3.86Å; W120-E228 HydrophobicContact CZ3-CB 4.12Å; W120-E228 HydrophobicContact CZ3-CG 4.11Å
121	C	97	Very high	95.7	Very high	20 Å²	20	63 Å²	63	14%	0.135	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	162.6	166.3	66.7	0	0	0	0	111.3	Y119 G175 R177	Y119-C121 HydrophobicContact CE2-CB 4.4Å; C121-G175 PolarHBondContact N-O 3.4Å; C121-G175 PolarHBondContact O-N 3.31Å; C121-G175 VanDerWaalsContact SG-CA 3.58Å; C121-R177 PolarHBondContact SG-NE 2.89Å; C121-R177 VanDerWaalsContact SG-NE 3.36Å
122	E	97.1	Very high	95.7	Very high	80 Å²	80	63.5 Å²	63.5	37%	0.374	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.8	167	-67	172.5	-169.6	0	0	105.9	S124 K170 H173	E122-S124 PolarHBondContact O-N 2.61Å; E122-K170 WeakPolarHBondContact OE2-CE 3.34Å; E122-K170 IonicContact OE2-NZ 3.57Å; E122-H173 WeakPolarHBondContact CA-O 3.44Å
123	V	96.9	Very high	95.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.012	33%	0.329	C	S	.	.			trans	-75.3	118	-176.2	-178.6	0	0	0	0	109.3	L125 E130 L134 H173 L184 F187	V123-L125 HydrophobicContact CG1-CD2 4.42Å; V123-E130 WeakPolarHBondContact CA-OE2 3.5Å; V123-E130 HydrophobicContact CG1-CB 4.29Å; V123-L134 HydrophobicContact CG1-CB 4.25Å; V123-L134 HydrophobicContact CG1-CD2 4.38Å; V123-H173 PolarHBondContact N-O 2.97Å; V123-L184 HydrophobicContact CG2-CD1 4.17Å; V123-L184 HydrophobicContact CG2-CD2 4.46Å; V123-F187 HydrophobicContact CB-CD2 4.44Å; V123-F187 HydrophobicContact CB-CE2 3.87Å; V123-F187 HydrophobicContact CG2-CD2 3.79Å; V123-F187 HydrophobicContact CG2-CE2 3.72Å
124	S	96.3	Very high	95.9	Very high	45 Å²	45	57.2 Å²	57.2	32%	0.315	30%	0.295	S	S	.	.			trans	-80	121.9	175.4	-176.6	0	0	0	0	110.5	E122 D126 D127 E130	E122-S124 PolarHBondContact O-N 2.61Å; S124-D126 VanDerWaalsContact C-N 3.31Å; S124-D126 PolarHBondContact OG-N 3.13Å; S124-D127 PolarHBondContact OG-N 3.32Å; S124-E130 PolarHBondContact N-OE2 3.01Å; S124-E130 WeakPolarHBondContact O-CB 3.26Å
125	L	95	Very high	96.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.297	C	S	.	.	S	Bend	trans	-88.4	-4.6	176	-54.4	179.4	0	0	0	113	V123 L131 L134 Q160 L163 K164 H173	V123-L125 HydrophobicContact CG1-CD2 4.42Å; L125-L131 HydrophobicContact CD2-CD1 3.98Å; L125-L134 HydrophobicContact CD2-CD2 3.67Å; L125-Q160 HydrophobicContact CB-CG 4.4Å; L125-Q160 PolarHBondContact O-NE2 3.34Å; L125-L163 HydrophobicContact CD1-CB 3.31Å; L125-L163 HydrophobicContact CD1-CD1 3.83Å; L125-L163 HydrophobicContact CD1-CG 4.2Å; L125-L163 HydrophobicContact CD2-CD1 4.27Å; L125-K164 HydrophobicContact CB-CD 4.29Å; L125-K164 HydrophobicContact CD1-CG 3.99Å; L125-H173 VanDerWaalsContact CD1-CE1 3.5Å; L125-H173 WeakPolarHBondContact CD1-CE1 3.39Å
126	D	94.8	Very high	96.4	Very high	105 Å²	105	58.4 Å²	58.4	56%	0.561	30%	0.295	S	S	*	.	S	Bend	trans	-92.8	-15.2	174.6	-67.6	-49.1	0	0	0	112.1	S124 K164	S124-D126 VanDerWaalsContact C-N 3.31Å; S124-D126 PolarHBondContact OG-N 3.13Å; D126-K164 VanDerWaalsContact CG-NZ 3.34Å; D126-K164 IonicContact OD1-NZ 3.72Å; D126-K164 PolarHBondContact OD1-NZ 3.02Å; D126-K164 IonicContact OD2-NZ 2.75Å; D126-K164 PolarHBondContact OD2-NZ 2.93Å
127	D	96.1	Very high	96.6	Very high	65 Å²	65	49.2 Å²	49.2	35%	0.348	25%	0.252	S	S	.	.	S	Bend	trans	-91.5	119.3	170.7	179.9	63.2	0	0	0	110	S124 T129 E130 L131	S124-D127 PolarHBondContact OG-N 3.32Å; D127-T129 PolarHBondContact O-N 2.66Å; D127-T129 VanDerWaalsContact OD2-CB 3.25Å; D127-T129 WeakPolarHBondContact OD2-CB 3.46Å; D127-T129 PolarHBondContact OD2-N 2.9Å; D127-E130 HydrophobicContact CB-CB 4.24Å; D127-E130 HydrophobicContact CB-CG 4.44Å; D127-E130 PolarHBondContact O-N 3.1Å; D127-E130 WeakPolarHBondContact OD2-CG 3.42Å; D127-E130 PolarHBondContact OD2-N 3.15Å; D127-L131 WeakPolarHBondContact O-CB 3.48Å; D127-L131 PolarHBondContact O-N 3.28Å
128	E	96.1	Very high	96.7	Very high	127 Å²	127	47.9 Å²	47.9	59%	0.593	24%	0.238	S	C	*	.	H	α-helix	trans	-59.1	-33.5	-177.7	-172.9	84.8	-141.5	0	0	111.6	Q132 K156	E128-Q132 VanDerWaalsContact O-CB 3.29Å; E128-Q132 WeakPolarHBondContact O-CB 3.46Å; E128-Q132 PolarHBondContact O-N 3.47Å; E128-K156 IonicContact OE1-NZ 3.65Å; E128-K156 PolarHBondContact OE1-NZ 3.11Å
129	T	96.9	Very high	96.5	Very high	90 Å²	90	49.7 Å²	49.7	55%	0.552	24%	0.244	S	C	*	.	H	α-helix	trans	-71.2	-51.1	-179.2	-48	0	0	0	0	110.7	D127 L131 Q132 E133	D127-T129 PolarHBondContact O-N 2.66Å; D127-T129 VanDerWaalsContact OD2-CB 3.25Å; D127-T129 WeakPolarHBondContact OD2-CB 3.46Å; D127-T129 PolarHBondContact OD2-N 2.9Å; T129-L131 VanDerWaalsContact C-N 3.33Å; T129-L131 PolarHBondContact O-N 3.43Å; T129-Q132 WeakPolarHBondContact O-CB 3.45Å; T129-Q132 PolarHBondContact O-N 3.06Å; T129-E133 WeakPolarHBondContact O-CG 3.32Å; T129-E133 PolarHBondContact O-N 3.35Å
130	E	97.1	Very high	96.2	Very high	53 Å²	53	49.9 Å²	49.9	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-36.4	177.6	-72.3	-165.8	-155.3	0	0	112.7	V123 S124 D127 E133 L134	V123-E130 WeakPolarHBondContact CA-OE2 3.5Å; V123-E130 HydrophobicContact CG1-CB 4.29Å; S124-E130 PolarHBondContact N-OE2 3.01Å; S124-E130 WeakPolarHBondContact O-CB 3.26Å; D127-E130 HydrophobicContact CB-CB 4.24Å; D127-E130 HydrophobicContact CB-CG 4.44Å; D127-E130 PolarHBondContact O-N 3.1Å; D127-E130 WeakPolarHBondContact OD2-CG 3.42Å; D127-E130 PolarHBondContact OD2-N 3.15Å; E130-E133 PolarHBondContact O-N 3.09Å; E130-L134 PolarHBondContact O-N 3.42Å
131	L	97.3	Very high	96	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-40.3	173.4	-179.1	61.1	0	0	0	111.8	L125 D127 T129 L134 Y135 K156 L159 Q160	L125-L131 HydrophobicContact CD2-CD1 3.98Å; D127-L131 WeakPolarHBondContact O-CB 3.48Å; D127-L131 PolarHBondContact O-N 3.28Å; T129-L131 VanDerWaalsContact C-N 3.33Å; T129-L131 PolarHBondContact O-N 3.43Å; L131-L134 PolarHBondContact O-N 2.73Å; L131-Y135 WeakPolarHBondContact O-CB 3.16Å; L131-Y135 PolarHBondContact O-N 2.73Å; L131-K156 HydrophobicContact CD1-CB 4.45Å; L131-K156 HydrophobicContact CD2-CB 3.88Å; L131-K156 HydrophobicContact CD2-CD 4.19Å; L131-K156 HydrophobicContact CD2-CG 4.3Å; L131-K156 HydrophobicContact CG-CB 4.04Å; L131-K156 HydrophobicContact CG-CD 3.97Å; L131-K156 HydrophobicContact CG-CG 4Å; L131-L159 HydrophobicContact CD1-CB 4.39Å; L131-Q160 HydrophobicContact CD1-CG 4.18Å; L131-Q160 HydrophobicContact CD2-CG 3.77Å
132	Q	97.5	Very high	95.6	Very high	62 Å²	62	48.6 Å²	48.6	29%	0.29	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-42.8	173.8	-173.1	62.2	50.2	0	0	111.3	E128 T129 L134 Y135 D136	E128-Q132 VanDerWaalsContact O-CB 3.29Å; E128-Q132 WeakPolarHBondContact O-CB 3.46Å; E128-Q132 PolarHBondContact O-N 3.47Å; T129-Q132 WeakPolarHBondContact O-CB 3.45Å; T129-Q132 PolarHBondContact O-N 3.06Å; Q132-L134 VanDerWaalsContact C-N 3.34Å; Q132-L134 PolarHBondContact O-N 2.94Å; Q132-Y135 VanDerWaalsContact NE2-CD1 3.29Å; Q132-Y135 WeakPolarHBondContact O-CB 3.49Å; Q132-Y135 PolarHBondContact O-N 2.88Å; Q132-D136 PolarHBondContact NE2-OD1 2.76Å; Q132-D136 WeakPolarHBondContact O-CB 3.4Å; Q132-D136 PolarHBondContact O-N 3.06Å
133	E	97.5	Very high	94.9	Very high	59 Å²	59	45.6 Å²	45.6	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-37.7	176.8	-70.7	178.3	148.5	0	0	112.8	T129 E130 L137 R177	T129-E133 WeakPolarHBondContact O-CG 3.32Å; T129-E133 PolarHBondContact O-N 3.35Å; E130-E133 PolarHBondContact O-N 3.09Å; E133-L137 WeakPolarHBondContact O-CB 3.26Å; E133-L137 PolarHBondContact O-N 3.19Å; E133-R177 IonicContact OE1-NH1 3.82Å; E133-R177 PolarHBondContact OE1-NH1 2.76Å; E133-R177 IonicContact OE2-CZ 3.66Å; E133-R177 IonicContact OE2-NH1 3.75Å; E133-R177 PolarHBondContact OE2-NH1 3.34Å; E133-R177 IonicContact OE2-NH2 3.37Å; E133-R177 PolarHBondContact OE2-NH2 3.21Å
134	L	97.7	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-47.4	173.6	174.6	59.1	0	0	0	111.1	V123 L125 E130 L131 Q132 D136 L137 L138 L159 L163 L184 F187	V123-L134 HydrophobicContact CG1-CB 4.25Å; V123-L134 HydrophobicContact CG1-CD2 4.38Å; L125-L134 HydrophobicContact CD2-CD2 3.67Å; E130-L134 PolarHBondContact O-N 3.42Å; L131-L134 PolarHBondContact O-N 2.73Å; Q132-L134 VanDerWaalsContact C-N 3.34Å; Q132-L134 PolarHBondContact O-N 2.94Å; L134-D136 VanDerWaalsContact C-N 3.35Å; L134-D136 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.5Å; L134-L138 HydrophobicContact CD1-CD1 4.06Å; L134-L138 HydrophobicContact CD1-CG 4.12Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 WeakPolarHBondContact O-CG 3.46Å; L134-L138 PolarHBondContact O-N 3.2Å; L134-L159 HydrophobicContact CD2-CD1 4.23Å; L134-L159 HydrophobicContact CG-CD1 4.17Å; L134-L163 HydrophobicContact CD2-CD1 4.21Å; L134-L184 HydrophobicContact CB-CD2 4.43Å; L134-F187 HydrophobicContact CD1-CB 4.1Å; L134-F187 HydrophobicContact CD1-CD1 3.38Å; L134-F187 HydrophobicContact CD1-CD2 3.83Å; L134-F187 HydrophobicContact CD1-CE1 3.6Å; L134-F187 HydrophobicContact CD1-CE2 4.04Å; L134-F187 HydrophobicContact CD1-CG 3.49Å; L134-F187 VanDerWaalsContact CD1-CG 3.49Å; L134-F187 HydrophobicContact CD1-CZ 3.92Å; L134-F187 HydrophobicContact CD2-CE1 4.03Å; L134-F187 HydrophobicContact CD2-CE2 4.32Å; L134-F187 HydrophobicContact CD2-CZ 3.84Å; L134-F187 HydrophobicContact CG-CE1 4.48Å
135	Y	97.1	Very high	93.1	Very high	50 Å²	50	43.8 Å²	43.8	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-54.9	-51.1	174.3	168.2	-89.7	0	0	0	110.8	L131 Q132 L137 L138 Y139 D153 Y154 K156	L131-Y135 WeakPolarHBondContact O-CB 3.16Å; L131-Y135 PolarHBondContact O-N 2.73Å; Q132-Y135 VanDerWaalsContact NE2-CD1 3.29Å; Q132-Y135 WeakPolarHBondContact O-CB 3.49Å; Q132-Y135 PolarHBondContact O-N 2.88Å; Y135-L137 VanDerWaalsContact C-N 3.34Å; Y135-L137 PolarHBondContact O-N 3.25Å; Y135-L138 PolarHBondContact O-N 2.88Å; Y135-Y139 HydrophobicContact CE1-CG 4.35Å; Y135-Y139 AromaticContact CZ-CD2 3.98Å; Y135-Y139 WeakPolarHBondContact O-CB 3.24Å; Y135-Y139 PolarHBondContact O-N 3.33Å; Y135-D153 WeakPolarHBondContact CE2-OD1 3.27Å; Y135-D153 PolarHBondContact OH-OD1 3.16Å; Y135-Y154 VanDerWaalsContact CD2-O 3.22Å; Y135-Y154 WeakPolarHBondContact CD2-O 3.41Å; Y135-K156 HydrophobicContact CD2-CG 4.28Å; Y135-K156 HydrophobicContact CG-CG 4.21Å
136	D	96.5	Very high	91.9	Very high	65 Å²	65	48.1 Å²	48.1	35%	0.348	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-42.6	-179.4	-66.9	-16.6	0	0	0	111.4	Q132 L134 L138 E140	Q132-D136 PolarHBondContact NE2-OD1 2.76Å; Q132-D136 WeakPolarHBondContact O-CB 3.4Å; Q132-D136 PolarHBondContact O-N 3.06Å; L134-D136 VanDerWaalsContact C-N 3.35Å; L134-D136 PolarHBondContact O-N 2.88Å; D136-L138 PolarHBondContact O-N 3.47Å; D136-E140 WeakPolarHBondContact O-CB 3.49Å; D136-E140 WeakPolarHBondContact O-CG 3.25Å; D136-E140 PolarHBondContact O-N 2.92Å
137	L	96.7	Very high	90.8	Very high	6 Å²	6	46.6 Å²	46.6	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-50.1	176	173.9	67.4	0	0	0	111.2	E133 L134 Y135 N141 L184 F187 C211 H213	E133-L137 WeakPolarHBondContact O-CB 3.26Å; E133-L137 PolarHBondContact O-N 3.19Å; L134-L137 PolarHBondContact O-N 3.5Å; Y135-L137 VanDerWaalsContact C-N 3.34Å; Y135-L137 PolarHBondContact O-N 3.25Å; L137-N141 HydrophobicContact CD1-CB 4.44Å; L137-N141 VanDerWaalsContact O-CB 3.25Å; L137-N141 WeakPolarHBondContact O-CB 3.22Å; L137-N141 PolarHBondContact O-N 2.7Å; L137-N141 PolarHBondContact O-ND2 2.7Å; L137-L184 HydrophobicContact CB-CD2 4.29Å; L137-L184 HydrophobicContact CD2-CD2 3.87Å; L137-L184 HydrophobicContact CD2-CG 3.96Å; L137-F187 HydrophobicContact CD2-CB 3.68Å; L137-C211 HydrophobicContact CD2-CB 4.46Å; L137-H213 HydrophobicContact CD1-CB 4.16Å
138	L	95.4	Very high	89.8	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-48.6	-178.1	-65	178.1	0	0	0	111	L134 Y135 D136 E140 N141 Y142 L159 Y209 C211	L134-L138 HydrophobicContact CD1-CD1 4.06Å; L134-L138 HydrophobicContact CD1-CG 4.12Å; L134-L138 HydrophobicContact CG-CD1 4.29Å; L134-L138 WeakPolarHBondContact O-CG 3.46Å; L134-L138 PolarHBondContact O-N 3.2Å; Y135-L138 PolarHBondContact O-N 2.88Å; D136-L138 PolarHBondContact O-N 3.47Å; L138-E140 PolarHBondContact O-N 3.21Å; L138-N141 PolarHBondContact O-N 3.42Å; L138-Y142 HydrophobicContact CD2-CD2 3.81Å; L138-Y142 HydrophobicContact CD2-CE2 4.33Å; L138-Y142 HydrophobicContact CD2-CG 3.92Å; L138-Y142 WeakPolarHBondContact O-CB 3.36Å; L138-Y142 PolarHBondContact O-N 2.9Å; L138-L159 HydrophobicContact CD1-CD1 4.01Å; L138-L159 HydrophobicContact CD1-CD2 3.66Å; L138-L159 HydrophobicContact CD1-CG 4.5Å; L138-Y209 HydrophobicContact CD1-CD1 4.09Å; L138-C211 HydrophobicContact CD2-CB 3.62Å
139	Y	92.3	Very high	89	Confident	84 Å²	84	43 Å²	43	33%	0.329	21%	0.211	S	C	.	.	H	α-helix	trans	-57.2	-31.9	178.8	-179.4	-92.8	0	0	0	112.9	Y135 R151 D153 S368	Y135-Y139 HydrophobicContact CE1-CG 4.35Å; Y135-Y139 AromaticContact CZ-CD2 3.98Å; Y135-Y139 WeakPolarHBondContact O-CB 3.24Å; Y135-Y139 PolarHBondContact O-N 3.33Å; Y139-R151 WeakPolarHBondContact O-CD 3.17Å; Y139-R151 PolarHBondContact O-NH1 2.84Å; Y139-D153 HydrophobicContact CD2-CB 4.37Å; Y139-D153 WeakPolarHBondContact CD2-OD1 3.34Å; Y139-S368 WeakPolarHBondContact CE2-OG 3.15Å
140	E	91.9	Very high	88.4	Confident	88 Å²	88	38.8 Å²	38.8	41%	0.411	19%	0.185	S	C	.	.	H	α-helix	trans	-93.6	-26	-179.9	-70.4	-177.5	169	0	0	114	D136 L138 K214	D136-E140 WeakPolarHBondContact O-CB 3.49Å; D136-E140 WeakPolarHBondContact O-CG 3.25Å; D136-E140 PolarHBondContact O-N 2.92Å; L138-E140 PolarHBondContact O-N 3.21Å; E140-K214 WeakPolarHBondContact O-CE 3.19Å; E140-K214 PolarHBondContact O-NZ 3.2Å
141	N	92.2	Very high	87.9	Confident	6 Å²	6	37.3 Å²	37.3	3%	0.032	18%	0.178	C	C	.	.	H	α-helix	trans	-134.3	-5.1	-162	-54.4	-89	0	0	0	116.2	L137 L138 K214 R217	L137-N141 HydrophobicContact CD1-CB 4.44Å; L137-N141 VanDerWaalsContact O-CB 3.25Å; L137-N141 WeakPolarHBondContact O-CB 3.22Å; L137-N141 PolarHBondContact O-N 2.7Å; L137-N141 PolarHBondContact O-ND2 2.7Å; L138-N141 PolarHBondContact O-N 3.42Å; N141-K214 HydrophobicContact CB-CG 4.49Å; N141-K214 PolarHBondContact OD1-N 3.47Å; N141-R217 PolarHBondContact O-NH2 3.29Å
142	Y	90.1	Very high	87.4	Confident	26 Å²	26	37.9 Å²	37.9	10%	0.102	18%	0.18	C	C	.	.	S	Bend	trans	-78	-157	-178.1	-158.1	-131.1	0	0	0	112.2	L138 E144 F152 Y154 N208 Y209 L210 C211	L138-Y142 HydrophobicContact CD2-CD2 3.81Å; L138-Y142 HydrophobicContact CD2-CE2 4.33Å; L138-Y142 HydrophobicContact CD2-CG 3.92Å; L138-Y142 WeakPolarHBondContact O-CB 3.36Å; L138-Y142 PolarHBondContact O-N 2.9Å; Y142-E144 PolarHBondContact O-N 2.74Å; Y142-F152 HydrophobicContact CD1-CD2 4.28Å; Y142-F152 HydrophobicContact CE1-CD2 4.38Å; Y142-Y154 HydrophobicContact CD1-CD2 4.18Å; Y142-Y154 AromaticContact CD1-CE2 3.63Å; Y142-Y154 HydrophobicContact CD1-CE2 3.63Å; Y142-Y154 HydrophobicContact CE1-CD2 4.35Å; Y142-Y154 AromaticContact CE1-CE2 3.52Å; Y142-Y154 HydrophobicContact CE1-CE2 3.52Å; Y142-N208 PolarHBondContact OH-OD1 3.47Å; Y142-Y209 HydrophobicContact CE1-CD1 4.38Å; Y142-Y209 VanDerWaalsContact OH-CA 3.31Å; Y142-Y209 WeakPolarHBondContact OH-CA 3.4Å; Y142-Y209 PolarHBondContact OH-N 2.93Å; Y142-L210 WeakPolarHBondContact CE2-O 3.43Å; Y142-C211 HydrophobicContact CD2-CB 3.78Å; Y142-C211 HydrophobicContact CE2-CB 4.34Å
143	V	81.3	Confident	87.1	Confident	17 Å²	17	36.1 Å²	36.1	10%	0.103	17%	0.172	C	C	.	.			trans	-63.7	127.1	-175	-178.6	0	0	0	0	110.7	V59 R151 F152	V59-V143 HydrophobicContact CG2-CG2 4.05Å; V143-R151 VanDerWaalsContact O-CG 3.24Å; V143-R151 WeakPolarHBondContact O-CG 3.33Å; V143-F152 HydrophobicContact CB-CD2 3.72Å; V143-F152 HydrophobicContact CB-CE2 3.85Å; V143-F152 HydrophobicContact CG1-CD2 4.21Å; V143-F152 HydrophobicContact CG1-CE2 3.88Å; V143-F152 HydrophobicContact CG2-CD2 4.45Å; V143-F152 HydrophobicContact CG2-CE2 4.48Å; V143-F152 PolarHBondContact O-N 2.76Å
144	E	81	Confident	86.9	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.037	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-116.2	154.3	171.3	-65.4	174.1	175.1	0	0	107.4	Y142 H148 F150 R151 K214	Y142-E144 PolarHBondContact O-N 2.74Å; E144-H148 IonicContact OE2-CE1 3.31Å; E144-H148 IonicContact OE2-CG 3.84Å; E144-H148 IonicContact OE2-ND1 2.59Å; E144-H148 PolarHBondContact OE2-ND1 2.77Å; E144-F150 VanDerWaalsContact CA-O 3.29Å; E144-F150 WeakPolarHBondContact CA-O 3.26Å; E144-R151 HydrophobicContact CG-CB 4.03Å; E144-R151 HydrophobicContact CG-CG 3.75Å; E144-R151 IonicContact OE1-CZ 3.22Å; E144-R151 IonicContact OE1-NE 2.78Å; E144-R151 PolarHBondContact OE1-NE 3.31Å; E144-R151 IonicContact OE1-NH2 3.36Å; E144-R151 PolarHBondContact OE1-NH2 2.93Å; E144-K214 VanDerWaalsContact OE1-CE 3.24Å; E144-K214 WeakPolarHBondContact OE1-CE 3.18Å; E144-K214 IonicContact OE1-NZ 2.81Å; E144-K214 PolarHBondContact OE1-NZ 2.93Å
145	D	75.2	Confident	86.8	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.173	C	C	.	.			trans	-65.1	164.4	165	66	-47.5	0	0	0	113	N55 D147 H148 L149 F150	N55-D145 HydrophobicContact CB-CB 3.93Å; N55-D145 WeakPolarHBondContact CB-OD2 3.41Å; N55-D145 WeakPolarHBondContact O-CB 3.46Å; D145-D147 PolarHBondContact O-N 2.8Å; D145-H148 PolarHBondContact O-N 2.93Å; D145-H148 VanDerWaalsContact OD1-C 3.31Å; D145-H148 VanDerWaalsContact OD1-CA 3.26Å; D145-H148 WeakPolarHBondContact OD1-CA 3.32Å; D145-H148 PolarHBondContact OD1-N 3.48Å; D145-H148 PolarHBondContact OD2-N 3.44Å; D145-L149 VanDerWaalsContact CG-N 3.29Å; D145-L149 PolarHBondContact OD1-N 2.73Å; D145-L149 WeakPolarHBondContact OD2-CB 3.49Å; D145-L149 PolarHBondContact OD2-N 3.15Å; D145-F150 PolarHBondContact N-O 2.88Å; D145-F150 VanDerWaalsContact N-O 3.14Å; D145-F150 PolarHBondContact OD1-N 2.9Å
146	D	69.5	Low	86.8	Confident	93 Å²	93	35.6 Å²	35.6	50%	0.497	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.3	-178	-74.4	-21.4	0	0	0	112.5
147	D	71	Confident	86.7	Confident	73 Å²	73	38.5 Å²	38.5	39%	0.39	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.2	176.5	-78.1	-19.6	0	0	0	114.6	N55 D145 L149 K371	N55-D147 PolarHBondContact ND2-OD2 3.12Å; N55-D147 WeakPolarHBondContact OD1-CB 3.25Å; N55-D147 PolarHBondContact OD1-N 3.42Å; N55-D147 VanDerWaalsContact OD1-N 3.09Å; D145-D147 PolarHBondContact O-N 2.8Å; D147-L149 VanDerWaalsContact C-N 3.28Å; D147-L149 HydrophobicContact CB-CD1 4.15Å; D147-L149 HydrophobicContact CB-CG 3.97Å; D147-L149 PolarHBondContact O-N 2.94Å; D147-K371 PolarHBondContact O-NZ 3.41Å
148	H	76.1	Confident	86.8	Confident	82 Å²	82	38.3 Å²	38.3	38%	0.38	19%	0.185	S	C	.	.	S	Bend	trans	54	39.4	-178.5	-50.4	-78.4	0	0	0	113.5	E144 D145 K371	E144-H148 IonicContact OE2-CE1 3.31Å; E144-H148 IonicContact OE2-CG 3.84Å; E144-H148 IonicContact OE2-ND1 2.59Å; E144-H148 PolarHBondContact OE2-ND1 2.77Å; D145-H148 PolarHBondContact O-N 2.93Å; D145-H148 VanDerWaalsContact OD1-C 3.31Å; D145-H148 VanDerWaalsContact OD1-CA 3.26Å; D145-H148 WeakPolarHBondContact OD1-CA 3.32Å; D145-H148 PolarHBondContact OD1-N 3.48Å; D145-H148 PolarHBondContact OD2-N 3.44Å; H148-K371 WeakPolarHBondContact O-CE 3.33Å
149	L	77.9	Confident	86.8	Confident	33 Å²	33	38.1 Å²	38.1	17%	0.173	18%	0.184	C	C	.	.	S	Bend	trans	-90.6	-35.2	174.4	-59.9	178	0	0	0	112.5	D145 D147 M370 K371	D145-L149 VanDerWaalsContact CG-N 3.29Å; D145-L149 PolarHBondContact OD1-N 2.73Å; D145-L149 WeakPolarHBondContact OD2-CB 3.49Å; D145-L149 PolarHBondContact OD2-N 3.15Å; D147-L149 VanDerWaalsContact C-N 3.28Å; D147-L149 HydrophobicContact CB-CD1 4.15Å; D147-L149 HydrophobicContact CB-CG 3.97Å; D147-L149 PolarHBondContact O-N 2.94Å; L149-M370 PolarHBondContact O-N 3.23Å; L149-K371 HydrophobicContact CD2-CB 4.22Å; L149-K371 HydrophobicContact CD2-CD 3.6Å; L149-K371 HydrophobicContact CD2-CG 4.08Å
150	F	84.4	Confident	87.1	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.6	-172.7	-56.3	-77.4	0	0	0	110.9	N55 E144 D145 C271 F273 S368 V369 L378	N55-F150 VanDerWaalsContact O-CD2 3.32Å; N55-F150 WeakPolarHBondContact O-CD2 3.47Å; E144-F150 VanDerWaalsContact CA-O 3.29Å; E144-F150 WeakPolarHBondContact CA-O 3.26Å; D145-F150 PolarHBondContact N-O 2.88Å; D145-F150 VanDerWaalsContact N-O 3.14Å; D145-F150 PolarHBondContact OD1-N 2.9Å; F150-C271 HydrophobicContact CE1-CB 4.08Å; F150-C271 HydrophobicContact CZ-CB 4.14Å; F150-C271 WeakPolarHBondContact CZ-O 3.45Å; F150-F273 HydrophobicContact CE1-CB 4.37Å; F150-F273 HydrophobicContact CE1-CD2 4.35Å; F150-F273 HydrophobicContact CE2-CB 4.14Å; F150-F273 HydrophobicContact CE2-CD2 4.18Å; F150-F273 HydrophobicContact CZ-CB 3.63Å; F150-F273 HydrophobicContact CZ-CD2 4.05Å; F150-F273 HydrophobicContact CZ-CG 4.35Å; F150-S368 WeakPolarHBondContact CA-O 3.46Å; F150-V369 HydrophobicContact CD1-CG2 4.09Å; F150-V369 HydrophobicContact CE1-CB 4.47Å; F150-V369 HydrophobicContact CE1-CG1 4.16Å; F150-V369 HydrophobicContact CE1-CG2 3.86Å; F150-L378 HydrophobicContact CE1-CD2 4.34Å
151	R	86.7	Confident	87.3	Confident	23 Å²	23	32.7 Å²	32.7	9%	0.087	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.6	170.3	-168.2	-169.7	-66.1	127.9	12.1	109.2	Y139 V143 E144 D153 K214 S367 S368 M370	Y139-R151 WeakPolarHBondContact O-CD 3.17Å; Y139-R151 PolarHBondContact O-NH1 2.84Å; V143-R151 VanDerWaalsContact O-CG 3.24Å; V143-R151 WeakPolarHBondContact O-CG 3.33Å; E144-R151 HydrophobicContact CG-CB 4.03Å; E144-R151 HydrophobicContact CG-CG 3.75Å; E144-R151 IonicContact OE1-CZ 3.22Å; E144-R151 IonicContact OE1-NE 2.78Å; E144-R151 PolarHBondContact OE1-NE 3.31Å; E144-R151 IonicContact OE1-NH2 3.36Å; E144-R151 PolarHBondContact OE1-NH2 2.93Å; R151-D153 PolarHBondContact O-N 3.04Å; R151-K214 VanDerWaalsContact NH2-NZ 3.11Å; R151-S367 CarbonylContact O-C 3.52Å; R151-S367 VanDerWaalsContact O-CA 3.22Å; R151-S367 WeakPolarHBondContact O-CA 3.15Å; R151-S368 PolarHBondContact N-O 3.37Å; R151-S368 VanDerWaalsContact N-O 3.14Å; R151-S368 PolarHBondContact O-N 2.9Å; R151-M370 HydrophobicContact CB-SD 4.39Å; R151-M370 PolarHBondContact NH2-SD 3.17Å
152	F	88.2	Confident	87.5	Confident	15 Å²	15	32.5 Å²	32.5	7%	0.066	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	139.1	176.2	-67.5	-45.3	0	0	0	112.2	M57 Y142 V143 Y154 L365 Y382	M57-F152 HydrophobicContact CB-CZ 3.9Å; M57-F152 HydrophobicContact CG-CE1 4Å; M57-F152 HydrophobicContact CG-CZ 3.61Å; M57-F152 HydrophobicContact SD-CE1 4.36Å; M57-F152 HydrophobicContact SD-CZ 4Å; Y142-F152 HydrophobicContact CD1-CD2 4.28Å; Y142-F152 HydrophobicContact CE1-CD2 4.38Å; V143-F152 HydrophobicContact CB-CD2 3.72Å; V143-F152 HydrophobicContact CB-CE2 3.85Å; V143-F152 HydrophobicContact CG1-CD2 4.21Å; V143-F152 HydrophobicContact CG1-CE2 3.88Å; V143-F152 HydrophobicContact CG2-CD2 4.45Å; V143-F152 HydrophobicContact CG2-CE2 4.48Å; V143-F152 PolarHBondContact O-N 2.76Å; F152-Y154 HydrophobicContact CB-CD2 3.83Å; F152-Y154 HydrophobicContact CB-CE2 3.39Å; F152-Y154 AromaticContact CD2-CE2 3.88Å; F152-Y154 HydrophobicContact CD2-CE2 3.88Å; F152-Y154 AromaticContact CG-CE2 3.85Å; F152-Y154 HydrophobicContact CG-CE2 3.85Å; F152-L365 HydrophobicContact CB-CD1 4.36Å; F152-L365 HydrophobicContact CD1-CD1 4.36Å; F152-L365 HydrophobicContact CD1-CD2 3.77Å; F152-L365 HydrophobicContact CD1-CG 4Å; F152-L365 HydrophobicContact CE1-CD2 3.85Å; F152-L365 HydrophobicContact CE1-CG 4.43Å; F152-L365 HydrophobicContact CG-CD2 4.29Å; F152-L365 HydrophobicContact CZ-CD2 4.4Å; F152-Y382 WeakPolarHBondContact CE1-OH 3.31Å
153	D	91.5	Very high	87.9	Confident	25 Å²	25	31.3 Å²	31.3	13%	0.134	16%	0.156	C	C	.	.			trans	-121.7	73.3	-179.7	-175.8	14.1	0	0	0	108.9	Y135 Y139 R151 S155 P366	Y135-D153 WeakPolarHBondContact CE2-OD1 3.27Å; Y135-D153 PolarHBondContact OH-OD1 3.16Å; Y139-D153 HydrophobicContact CD2-CB 4.37Å; Y139-D153 WeakPolarHBondContact CD2-OD1 3.34Å; R151-D153 PolarHBondContact O-N 3.04Å; D153-S155 PolarHBondContact O-N 3.1Å; D153-P366 HydrophobicContact CB-CG 4.19Å; D153-P366 PolarHBondContact N-O 3.19Å; D153-P366 WeakPolarHBondContact O-CD 3.03Å; D153-P366 VanDerWaalsContact O-CG 3.26Å; D153-P366 WeakPolarHBondContact O-CG 3.32Å
154	Y	93.2	Very high	88.6	Confident	11 Å²	11	33.1 Å²	33.1	4%	0.043	16%	0.162	C	C	.	.			trans	-68.8	114.4	178.2	-68.3	-88.3	0	0	0	109.4	Y135 Y142 F152 F158 L159 Y209 L365	Y135-Y154 VanDerWaalsContact CD2-O 3.22Å; Y135-Y154 WeakPolarHBondContact CD2-O 3.41Å; Y142-Y154 HydrophobicContact CD1-CD2 4.18Å; Y142-Y154 AromaticContact CD1-CE2 3.63Å; Y142-Y154 HydrophobicContact CD1-CE2 3.63Å; Y142-Y154 HydrophobicContact CE1-CD2 4.35Å; Y142-Y154 AromaticContact CE1-CE2 3.52Å; Y142-Y154 HydrophobicContact CE1-CE2 3.52Å; F152-Y154 HydrophobicContact CB-CD2 3.83Å; F152-Y154 HydrophobicContact CB-CE2 3.39Å; F152-Y154 AromaticContact CD2-CE2 3.88Å; F152-Y154 HydrophobicContact CD2-CE2 3.88Å; F152-Y154 AromaticContact CG-CE2 3.85Å; F152-Y154 HydrophobicContact CG-CE2 3.85Å; Y154-F158 AromaticContact CD1-CD1 3.61Å; Y154-F158 HydrophobicContact CD1-CD1 3.61Å; Y154-F158 AromaticContact CD1-CE1 3.64Å; Y154-F158 HydrophobicContact CD1-CE1 3.64Å; Y154-F158 HydrophobicContact CD1-CG 4.43Å; Y154-F158 HydrophobicContact CD1-CZ 4.46Å; Y154-F158 HydrophobicContact CE1-CD1 4.32Å; Y154-F158 AromaticContact CE1-CE1 3.86Å; Y154-F158 HydrophobicContact CE1-CE1 3.86Å; Y154-F158 HydrophobicContact CE1-CZ 4.49Å; Y154-L159 HydrophobicContact CG-CD2 4.42Å; Y154-Y209 AromaticContact CD1-CE1 3.81Å; Y154-Y209 HydrophobicContact CD1-CE1 3.81Å; Y154-Y209 HydrophobicContact CD2-CE1 4.29Å; Y154-Y209 AromaticContact CE1-CE1 3.77Å; Y154-Y209 HydrophobicContact CE1-CE1 3.77Å; Y154-Y209 HydrophobicContact CE2-CE1 4.27Å; Y154-Y209 HydrophobicContact CG-CE1 4.07Å; Y154-L365 HydrophobicContact CD1-CD1 3.43Å; Y154-L365 VanDerWaalsContact CD1-CD1 3.43Å; Y154-L365 HydrophobicContact CD2-CD1 4.08Å; Y154-L365 HydrophobicContact CE1-CD1 3.41Å; Y154-L365 VanDerWaalsContact CE1-CD1 3.41Å; Y154-L365 HydrophobicContact CE1-CD2 3.81Å; Y154-L365 HydrophobicContact CE1-CG 4.23Å; Y154-L365 HydrophobicContact CE2-CD1 4.02Å; Y154-L365 HydrophobicContact CG-CD1 3.79Å
155	S	95	Very high	89.3	Confident	36 Å²	36	32.8 Å²	32.8	25%	0.252	16%	0.161	S	C	.	.			trans	-63.9	154.2	178.8	80.1	0	0	0	0	111.6	D153 H157 F158 L159	D153-S155 PolarHBondContact O-N 3.1Å; S155-H157 PolarHBondContact O-N 3.44Å; S155-F158 WeakPolarHBondContact O-CA 3.3Å; S155-F158 VanDerWaalsContact O-CB 3.3Å; S155-F158 WeakPolarHBondContact O-CB 3.43Å; S155-F158 PolarHBondContact O-N 3.09Å; S155-F158 WeakPolarHBondContact OG-CB 3.32Å; S155-F158 PolarHBondContact OG-N 2.64Å; S155-F158 VanDerWaalsContact OG-N 3.09Å; S155-L159 PolarHBondContact O-N 3.2Å
156	K	96.3	Very high	90.4	Very high	50 Å²	50	33.8 Å²	33.8	22%	0.217	17%	0.167	C	C	.	.	H	α-helix	trans	-53.7	-42.6	175	-70.6	-167.1	-69.9	-178	0	112.3	E128 L131 Y135 F158 L159 Q160	E128-K156 IonicContact OE1-NZ 3.65Å; E128-K156 PolarHBondContact OE1-NZ 3.11Å; L131-K156 HydrophobicContact CD1-CB 4.45Å; L131-K156 HydrophobicContact CD2-CB 3.88Å; L131-K156 HydrophobicContact CD2-CD 4.19Å; L131-K156 HydrophobicContact CD2-CG 4.3Å; L131-K156 HydrophobicContact CG-CB 4.04Å; L131-K156 HydrophobicContact CG-CD 3.97Å; L131-K156 HydrophobicContact CG-CG 4Å; Y135-K156 HydrophobicContact CD2-CG 4.28Å; Y135-K156 HydrophobicContact CG-CG 4.21Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 PolarHBondContact O-N 3.23Å; K156-L159 PolarHBondContact O-N 3.33Å; K156-Q160 WeakPolarHBondContact O-CG 3.4Å; K156-Q160 PolarHBondContact O-N 3.27Å
157	H	95.7	Very high	91.7	Very high	127 Å²	127	31.7 Å²	31.7	59%	0.588	17%	0.167	S	C	*	.	H	α-helix	trans	-66.7	-34	177.2	-63	-50.2	0	0	0	112.7	S155 W161 V343	S155-H157 PolarHBondContact O-N 3.44Å; H157-W161 VanDerWaalsContact O-CB 3.29Å; H157-W161 WeakPolarHBondContact O-CB 3.36Å; H157-W161 PolarHBondContact O-N 3.07Å; H157-V343 HydrophobicContact CB-CG2 3.78Å
158	F	97.1	Very high	92.9	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-46.9	173.7	-166.5	-79	0	0	0	111.6	Y154 S155 K156 Q160 W161 I162 V343 Y363 V364 Q458	Y154-F158 AromaticContact CD1-CD1 3.61Å; Y154-F158 HydrophobicContact CD1-CD1 3.61Å; Y154-F158 AromaticContact CD1-CE1 3.64Å; Y154-F158 HydrophobicContact CD1-CE1 3.64Å; Y154-F158 HydrophobicContact CD1-CG 4.43Å; Y154-F158 HydrophobicContact CD1-CZ 4.46Å; Y154-F158 HydrophobicContact CE1-CD1 4.32Å; Y154-F158 AromaticContact CE1-CE1 3.86Å; Y154-F158 HydrophobicContact CE1-CE1 3.86Å; Y154-F158 HydrophobicContact CE1-CZ 4.49Å; S155-F158 WeakPolarHBondContact O-CA 3.3Å; S155-F158 VanDerWaalsContact O-CB 3.3Å; S155-F158 WeakPolarHBondContact O-CB 3.43Å; S155-F158 PolarHBondContact O-N 3.09Å; S155-F158 WeakPolarHBondContact OG-CB 3.32Å; S155-F158 PolarHBondContact OG-N 2.64Å; S155-F158 VanDerWaalsContact OG-N 3.09Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 PolarHBondContact O-N 3.23Å; F158-Q160 PolarHBondContact O-N 2.88Å; F158-W161 HydrophobicContact CD2-CE3 4.01Å; F158-W161 HydrophobicContact CD2-CZ3 4.11Å; F158-W161 HydrophobicContact CE1-CE3 4.47Å; F158-W161 HydrophobicContact CE1-CZ3 4.39Å; F158-W161 AromaticContact CE2-CE3 3.94Å; F158-W161 HydrophobicContact CE2-CE3 3.94Å; F158-W161 AromaticContact CE2-CZ3 3.58Å; F158-W161 HydrophobicContact CE2-CZ3 3.58Å; F158-W161 HydrophobicContact CG-CE3 4.33Å; F158-W161 HydrophobicContact CZ-CE3 4.2Å; F158-W161 AromaticContact CZ-CZ3 3.75Å; F158-W161 HydrophobicContact CZ-CZ3 3.75Å; F158-W161 WeakPolarHBondContact O-CB 3.28Å; F158-W161 PolarHBondContact O-N 3.38Å; F158-W161 VanDerWaalsContact O-N 3.15Å; F158-I162 HydrophobicContact CD1-CG1 4.08Å; F158-I162 HydrophobicContact CE1-CG1 3.71Å; F158-I162 HydrophobicContact CZ-CG1 4.3Å; F158-I162 PolarHBondContact O-N 3.43Å; F158-V343 HydrophobicContact CD2-CG1 4.22Å; F158-Y363 AromaticContact CE2-CD2 3.57Å; F158-Y363 HydrophobicContact CE2-CD2 3.57Å; F158-Y363 HydrophobicContact CE2-CE2 4.39Å; F158-Y363 HydrophobicContact CE2-CG 4.18Å; F158-Y363 AromaticContact CZ-CD2 3.58Å; F158-Y363 HydrophobicContact CZ-CD2 3.58Å; F158-Y363 AromaticContact CZ-CE2 4Å; F158-Y363 HydrophobicContact CZ-CE2 4Å; F158-Y363 HydrophobicContact CZ-CG 4.29Å; F158-V364 WeakPolarHBondContact CD2-O 3.48Å; F158-V364 WeakPolarHBondContact CE2-O 2.87Å; F158-Q458 HydrophobicContact CE1-CB 3.87Å; F158-Q458 HydrophobicContact CZ-CB 3.83Å; F158-Q458 HydrophobicContact CZ-CG 4.31Å
159	L	97	Very high	93.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.5	-65.8	172.2	0	0	0	111.1	L131 L134 L138 Y154 S155 K156 W161 I162 L163 Y209	L131-L159 HydrophobicContact CD1-CB 4.39Å; L134-L159 HydrophobicContact CD2-CD1 4.23Å; L134-L159 HydrophobicContact CG-CD1 4.17Å; L138-L159 HydrophobicContact CD1-CD1 4.01Å; L138-L159 HydrophobicContact CD1-CD2 3.66Å; L138-L159 HydrophobicContact CD1-CG 4.5Å; Y154-L159 HydrophobicContact CG-CD2 4.42Å; S155-L159 PolarHBondContact O-N 3.2Å; K156-L159 PolarHBondContact O-N 3.33Å; L159-W161 VanDerWaalsContact C-N 3.33Å; L159-W161 PolarHBondContact O-N 2.85Å; L159-I162 PolarHBondContact O-N 2.95Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.74Å; L159-Y209 HydrophobicContact CD2-CD1 4.18Å; L159-Y209 HydrophobicContact CD2-CE1 3.83Å
160	Q	96.9	Very high	94.7	Very high	57 Å²	57	35.1 Å²	35.1	27%	0.266	18%	0.175	S	C	.	.	H	α-helix	trans	-62	-40.1	174.1	-74.5	179.3	-40.2	0	0	112.4	L125 L131 K156 F158 K164	L125-Q160 HydrophobicContact CB-CG 4.4Å; L125-Q160 PolarHBondContact O-NE2 3.34Å; L131-Q160 HydrophobicContact CD1-CG 4.18Å; L131-Q160 HydrophobicContact CD2-CG 3.77Å; K156-Q160 WeakPolarHBondContact O-CG 3.4Å; K156-Q160 PolarHBondContact O-N 3.27Å; F158-Q160 PolarHBondContact O-N 2.88Å; Q160-K164 WeakPolarHBondContact O-CB 3.44Å; Q160-K164 WeakPolarHBondContact O-CG 3.09Å; Q160-K164 PolarHBondContact O-N 2.49Å; Q160-K164 VanDerWaalsContact O-N 3.17Å
161	W	97.4	Very high	95.3	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-50.9	177.6	169.4	53	0	0	0	111.4	H157 F158 L159 H335 F336 R340 V343 V344 F384 Q458	H157-W161 VanDerWaalsContact O-CB 3.29Å; H157-W161 WeakPolarHBondContact O-CB 3.36Å; H157-W161 PolarHBondContact O-N 3.07Å; F158-W161 HydrophobicContact CD2-CE3 4.01Å; F158-W161 HydrophobicContact CD2-CZ3 4.11Å; F158-W161 HydrophobicContact CE1-CE3 4.47Å; F158-W161 HydrophobicContact CE1-CZ3 4.39Å; F158-W161 AromaticContact CE2-CE3 3.94Å; F158-W161 HydrophobicContact CE2-CE3 3.94Å; F158-W161 AromaticContact CE2-CZ3 3.58Å; F158-W161 HydrophobicContact CE2-CZ3 3.58Å; F158-W161 HydrophobicContact CG-CE3 4.33Å; F158-W161 HydrophobicContact CZ-CE3 4.2Å; F158-W161 AromaticContact CZ-CZ3 3.75Å; F158-W161 HydrophobicContact CZ-CZ3 3.75Å; F158-W161 WeakPolarHBondContact O-CB 3.28Å; F158-W161 PolarHBondContact O-N 3.38Å; F158-W161 VanDerWaalsContact O-N 3.15Å; L159-W161 VanDerWaalsContact C-N 3.33Å; L159-W161 PolarHBondContact O-N 2.85Å; W161-H335 AromaticContact CD1-NE2 3.64Å; W161-H335 PolarHBondContact NE1-O 2.8Å; W161-H335 PolarHBondContact O-CE1 3.21Å; W161-H335 VanDerWaalsContact O-CE1 3.3Å; W161-H335 PolarHBondContact O-NE2 2.98Å; W161-F336 HydrophobicContact CZ2-CB 4.43Å; W161-F336 AromaticContact CZ2-CD1 3.96Å; W161-F336 HydrophobicContact CZ2-CD1 3.96Å; W161-F336 VanDerWaalsContact CZ2-O 3.32Å; W161-F336 WeakPolarHBondContact CZ2-O 3.25Å; W161-R340 VanDerWaalsContact CD1-CZ 3.43Å; W161-V343 HydrophobicContact CB-CG1 3.76Å; W161-V343 HydrophobicContact CD2-CG1 3.4Å; W161-V343 VanDerWaalsContact CD2-CG1 3.4Å; W161-V343 HydrophobicContact CE3-CG1 3.25Å; W161-V343 HydrophobicContact CG-CG1 3.65Å; W161-V343 HydrophobicContact CZ3-CG1 4.03Å; W161-V344 HydrophobicContact CH2-CB 3.94Å; W161-V344 HydrophobicContact CH2-CG1 4.5Å; W161-V344 HydrophobicContact CH2-CG2 4.13Å; W161-V344 HydrophobicContact CZ2-CB 3.89Å; W161-V344 HydrophobicContact CZ2-CG1 3.98Å; W161-V344 HydrophobicContact CZ2-CG2 4.09Å; W161-V344 HydrophobicContact CZ3-CB 4.46Å; W161-F384 HydrophobicContact CH2-CE1 4.46Å; W161-F384 HydrophobicContact CZ2-CE1 4.46Å; W161-Q458 HydrophobicContact CZ3-CG 4.5Å
162	I	96.4	Very high	95.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-74	-48.6	-176.8	-65.3	-50.8	0	0	0	112.4	F158 L159 K164 S165 I191 Y209 F336 Q458	F158-I162 HydrophobicContact CD1-CG1 4.08Å; F158-I162 HydrophobicContact CE1-CG1 3.71Å; F158-I162 HydrophobicContact CZ-CG1 4.3Å; F158-I162 PolarHBondContact O-N 3.43Å; L159-I162 PolarHBondContact O-N 2.95Å; I162-K164 VanDerWaalsContact C-N 3.26Å; I162-K164 PolarHBondContact O-N 3.12Å; I162-S165 PolarHBondContact O-N 3.43Å; I162-I191 HydrophobicContact CG2-CD1 4.11Å; I162-Y209 HydrophobicContact CG2-CE2 4.06Å; I162-F336 HydrophobicContact CD1-CD1 4.3Å; I162-F336 HydrophobicContact CD1-CE1 4.04Å; I162-Q458 HydrophobicContact CD1-CB 4.28Å; I162-Q458 VanDerWaalsContact CD1-CD 3.45Å; I162-Q458 HydrophobicContact CD1-CG 3.55Å; I162-Q458 HydrophobicContact CG1-CB 4.09Å; I162-Q458 HydrophobicContact CG1-CG 3.92Å
163	L	97.4	Very high	96.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-75.8	-13.4	-172.8	-62.1	-178.4	0	0	0	113.9	L125 L134 L159 W168 H173 F187 A189 I191 Y209	L125-L163 HydrophobicContact CD1-CB 3.31Å; L125-L163 HydrophobicContact CD1-CD1 3.83Å; L125-L163 HydrophobicContact CD1-CG 4.2Å; L125-L163 HydrophobicContact CD2-CD1 4.27Å; L134-L163 HydrophobicContact CD2-CD1 4.21Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.74Å; L163-W168 WeakPolarHBondContact O-CB 3.28Å; L163-H173 PolarHBondContact O-CE1 3.32Å; L163-H173 VanDerWaalsContact O-CE1 3.26Å; L163-H173 PolarHBondContact O-NE2 3.43Å; L163-H173 VanDerWaalsContact O-NE2 3.12Å; L163-F187 HydrophobicContact CD1-CE1 4.2Å; L163-F187 HydrophobicContact CD1-CZ 4.04Å; L163-A189 HydrophobicContact CD1-CB 4.41Å; L163-A189 HydrophobicContact CD2-CB 3.38Å; L163-I191 HydrophobicContact CD2-CG2 4.17Å; L163-Y209 HydrophobicContact CD2-CD2 3.73Å; L163-Y209 HydrophobicContact CD2-CE2 3.73Å; L163-Y209 HydrophobicContact CG-CD2 4.38Å; L163-Y209 HydrophobicContact CG-CE2 4.17Å
164	K	96.8	Very high	96.6	Very high	56 Å²	56	33.3 Å²	33.3	24%	0.243	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	38.8	172.5	-53.8	-176.6	66.1	175.8	0	112.3	L125 D126 Q160 I162 W168 H335	L125-K164 HydrophobicContact CB-CD 4.29Å; L125-K164 HydrophobicContact CD1-CG 3.99Å; D126-K164 VanDerWaalsContact CG-NZ 3.34Å; D126-K164 IonicContact OD1-NZ 3.72Å; D126-K164 PolarHBondContact OD1-NZ 3.02Å; D126-K164 IonicContact OD2-NZ 2.75Å; D126-K164 PolarHBondContact OD2-NZ 2.93Å; Q160-K164 WeakPolarHBondContact O-CB 3.44Å; Q160-K164 WeakPolarHBondContact O-CG 3.09Å; Q160-K164 PolarHBondContact O-N 2.49Å; Q160-K164 VanDerWaalsContact O-N 3.17Å; I162-K164 VanDerWaalsContact C-N 3.26Å; I162-K164 PolarHBondContact O-N 3.12Å; K164-W168 HydrophobicContact CB-CD2 4.35Å; K164-W168 HydrophobicContact CB-CG 4.29Å; K164-W168 HydrophobicContact CD-CZ2 4.42Å; K164-W168 HydrophobicContact CG-CD2 4.27Å; K164-W168 HydrophobicContact CG-CZ2 4.32Å; K164-H335 PolarHBondContact O-CE1 2.86Å
165	S	96.2	Very high	96.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.166	C	C	.	.			trans	-61.4	154.8	170.2	65.3	0	0	0	0	111.8	I162 G167 W168	I162-S165 PolarHBondContact O-N 3.43Å; S165-G167 PolarHBondContact O-N 3.46Å; S165-W168 VanDerWaalsContact O-CB 3.23Å; S165-W168 WeakPolarHBondContact O-CB 3.36Å; S165-W168 PolarHBondContact O-N 3.07Å
166	P	97.4	Very high	96.9	Very high	21 Å²	21	31.2 Å²	31.2	14%	0.136	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	129.3	178.7	-29.6	37.9	0	0	0	112.3	P192 E331 E332 H335	P166-P192 WeakPolarHBondContact O-CG 3.47Å; P166-E331 HydrophobicContact CB-CG 4.05Å; P166-E331 HydrophobicContact CG-CB 4.47Å; P166-E331 HydrophobicContact CG-CG 3.79Å; P166-E332 HydrophobicContact CB-CG 4.02Å; P166-E332 HydrophobicContact CG-CG 3.99Å; P166-H335 HydrophobicContact CG-CB 3.99Å
167	G	96.2	Very high	97	Very high	49 Å²	49	29.4 Å²	29.4	51%	0.505	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	6.6	-175.5	0	0	0	0	0	115.8	S165	S165-G167 PolarHBondContact O-N 3.46Å
168	W	96.8	Very high	97	Very high	76 Å²	76	25.1 Å²	25.1	29%	0.288	13%	0.129	S	C	.	.			trans	-56.9	157.5	176	73.8	-79.3	0	0	0	113.2	L163 K164 S165 K170 H173	L163-W168 WeakPolarHBondContact O-CB 3.28Å; K164-W168 HydrophobicContact CB-CD2 4.35Å; K164-W168 HydrophobicContact CB-CG 4.29Å; K164-W168 HydrophobicContact CD-CZ2 4.42Å; K164-W168 HydrophobicContact CG-CD2 4.27Å; K164-W168 HydrophobicContact CG-CZ2 4.32Å; S165-W168 VanDerWaalsContact O-CB 3.23Å; S165-W168 WeakPolarHBondContact O-CB 3.36Å; S165-W168 PolarHBondContact O-N 3.07Å; W168-K170 HydrophobicContact CZ3-CB 4.01Å; W168-H173 AromaticContact CE3-CE1 3.49Å; W168-H173 VanDerWaalsContact CE3-CE1 3.49Å; W168-H173 AromaticContact CZ3-CE1 3.78Å
169	H	96.9	Very high	96.9	Very high	55 Å²	55	28.7 Å²	28.7	26%	0.255	15%	0.151	S	C	.	.			trans	-134.7	126.7	-178	-67.8	-42.7	0	0	0	111.1	D171 W172 R236	H169-D171 WeakPolarHBondContact CB-OD1 3.48Å; H169-D171 PolarHBondContact O-N 3.44Å; H169-W172 HydrophobicContact CB-CB 4.49Å; H169-W172 HydrophobicContact CB-CD2 3.9Å; H169-W172 HydrophobicContact CB-CE3 4.13Å; H169-W172 HydrophobicContact CB-CG 4.03Å; H169-W172 AromaticContact CD2-CE2 3.81Å; H169-W172 AromaticContact CD2-CE3 3.96Å; H169-W172 AromaticContact CD2-CH2 3.57Å; H169-W172 AromaticContact CD2-CZ2 3.62Å; H169-W172 AromaticContact CD2-CZ3 3.73Å; H169-W172 WeakPolarHBondContact O-CB 3.49Å; H169-W172 PolarHBondContact O-N 3.28Å; H169-R236 WeakPolarHBondContact CD2-CD 3.49Å; H169-R236 PolarHBondContact CE1-NH1 2.99Å; H169-R236 VanDerWaalsContact CG-CZ 3.46Å; H169-R236 PolarHBondContact ND1-NH1 3Å; H169-R236 PolarHBondContact NE2-NH1 3.41Å
170	K	95.7	Very high	96.9	Very high	130 Å²	130	38.5 Å²	38.5	57%	0.565	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-56	-35	179.7	64.7	172.8	-170	165.1	0	113.5	E122 W168 W172 H173	E122-K170 WeakPolarHBondContact OE2-CE 3.34Å; E122-K170 IonicContact OE2-NZ 3.57Å; W168-K170 HydrophobicContact CZ3-CB 4.01Å; K170-W172 PolarHBondContact O-N 3.47Å; K170-H173 PolarHBondContact O-N 3.2Å; K170-H173 VanDerWaalsContact O-N 3.11Å
171	D	96.5	Very high	96.8	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.123	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-69.8	-17.3	-179.9	53	-59.4	0	0	0	111.9	H169 H173 R232 R236	H169-D171 WeakPolarHBondContact CB-OD1 3.48Å; H169-D171 PolarHBondContact O-N 3.44Å; D171-H173 VanDerWaalsContact C-N 3.31Å; D171-R232 WeakPolarHBondContact O-CD 3.31Å; D171-R232 PolarHBondContact O-NH1 3.43Å; D171-R236 IonicContact OD1-CZ 3.88Å; D171-R236 VanDerWaalsContact OD1-CZ 3.3Å; D171-R236 IonicContact OD1-NE 2.79Å; D171-R236 PolarHBondContact OD1-NE 2.77Å; D171-R236 VanDerWaalsContact OD1-NE 3.11Å; D171-R236 IonicContact OD1-NH2 3.55Å; D171-R236 PolarHBondContact OD1-NH2 2.79Å; D171-R236 IonicContact OD2-CZ 2.72Å; D171-R236 IonicContact OD2-NE 3.53Å; D171-R236 PolarHBondContact OD2-NE 2.88Å; D171-R236 IonicContact OD2-NH2 2.75Å
172	W	98	Very high	96.7	Very high	2 Å²	2	46 Å²	46	1%	0.008	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-81.9	-7.1	173.8	-66.2	-5.4	0	0	0	113.8	H169 K170 V174 A189 A190 P192 V205 R232 V233 R236 R238	H169-W172 HydrophobicContact CB-CB 4.49Å; H169-W172 HydrophobicContact CB-CD2 3.9Å; H169-W172 HydrophobicContact CB-CE3 4.13Å; H169-W172 HydrophobicContact CB-CG 4.03Å; H169-W172 AromaticContact CD2-CE2 3.81Å; H169-W172 AromaticContact CD2-CE3 3.96Å; H169-W172 AromaticContact CD2-CH2 3.57Å; H169-W172 AromaticContact CD2-CZ2 3.62Å; H169-W172 AromaticContact CD2-CZ3 3.73Å; H169-W172 WeakPolarHBondContact O-CB 3.49Å; H169-W172 PolarHBondContact O-N 3.28Å; K170-W172 PolarHBondContact O-N 3.47Å; W172-V174 PolarHBondContact O-N 3.12Å; W172-A189 VanDerWaalsContact O-CA 3.31Å; W172-A189 WeakPolarHBondContact O-CA 3.35Å; W172-A190 HydrophobicContact CB-CB 4.07Å; W172-A190 VanDerWaalsContact CB-O 3.3Å; W172-A190 WeakPolarHBondContact CB-O 3.44Å; W172-A190 HydrophobicContact CD2-CB 4.37Å; W172-A190 HydrophobicContact CE3-CB 4.37Å; W172-A190 HydrophobicContact CG-CB 4.3Å; W172-A190 PolarHBondContact O-N 3.06Å; W172-A190 VanDerWaalsContact O-N 3.16Å; W172-P192 HydrophobicContact CZ3-CB 4.18Å; W172-V205 HydrophobicContact CE3-CG1 4.14Å; W172-V205 HydrophobicContact CH2-CG1 3.37Å; W172-V205 HydrophobicContact CZ2-CG1 3.87Å; W172-V205 HydrophobicContact CZ3-CG1 3.53Å; W172-R232 PolarHBondContact NE1-O 3.06Å; W172-V233 HydrophobicContact CD2-CG2 4.26Å; W172-V233 HydrophobicContact CG-CG2 4.31Å; W172-V233 HydrophobicContact CZ2-CG2 4.36Å; W172-R236 HydrophobicContact CZ2-CB 4.01Å; W172-R236 HydrophobicContact CZ2-CG 4.39Å; W172-R238 HydrophobicContact CH2-CG 4.3Å; W172-R238 HydrophobicContact CZ2-CG 4.37Å
173	H	98.1	Very high	96.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	76.5	173.4	-57	167.2	0	0	0	110	E122 V123 L125 L163 W168 K170 D171 G175 F187	E122-H173 WeakPolarHBondContact CA-O 3.44Å; V123-H173 PolarHBondContact N-O 2.97Å; L125-H173 VanDerWaalsContact CD1-CE1 3.5Å; L125-H173 WeakPolarHBondContact CD1-CE1 3.39Å; L163-H173 PolarHBondContact O-CE1 3.32Å; L163-H173 VanDerWaalsContact O-CE1 3.26Å; L163-H173 PolarHBondContact O-NE2 3.43Å; L163-H173 VanDerWaalsContact O-NE2 3.12Å; W168-H173 AromaticContact CE3-CE1 3.49Å; W168-H173 VanDerWaalsContact CE3-CE1 3.49Å; W168-H173 AromaticContact CZ3-CE1 3.78Å; K170-H173 PolarHBondContact O-N 3.2Å; K170-H173 VanDerWaalsContact O-N 3.11Å; D171-H173 VanDerWaalsContact C-N 3.31Å; H173-G175 PolarHBondContact O-N 3.24Å; H173-F187 HydrophobicContact CB-CE2 4.08Å; H173-F187 HydrophobicContact CB-CZ 4.23Å
174	V	98.3	Very high	96.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.5	-169.3	-172.1	0	0	0	0	110.5	W120 W172 F187 I188 L225 E228 V229	W120-V174 HydrophobicContact CE3-CG1 3.77Å; W120-V174 HydrophobicContact CZ3-CG1 3.75Å; W172-V174 PolarHBondContact O-N 3.12Å; V174-F187 WeakPolarHBondContact O-CA 3.41Å; V174-F187 WeakPolarHBondContact O-CD2 3.41Å; V174-I188 HydrophobicContact CB-CG2 3.81Å; V174-I188 HydrophobicContact CG1-CG2 4.49Å; V174-I188 HydrophobicContact CG2-CG2 4.38Å; V174-I188 PolarHBondContact N-O 2.84Å; V174-I188 PolarHBondContact O-N 3.39Å; V174-L225 HydrophobicContact CG1-CD2 4.4Å; V174-E228 HydrophobicContact CG1-CB 4.4Å; V174-E228 HydrophobicContact CG1-CG 3.84Å; V174-V229 HydrophobicContact CG2-CB 4.01Å; V174-V229 HydrophobicContact CG2-CG2 4.15Å
175	G	97.8	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	150.5	173.6	0	0	0	0	0	113.1	C121 H173 G186	C121-G175 PolarHBondContact N-O 3.4Å; C121-G175 PolarHBondContact O-N 3.31Å; C121-G175 VanDerWaalsContact SG-CA 3.58Å; H173-G175 PolarHBondContact O-N 3.24Å; G175-G186 WeakPolarHBondContact CA-O 2.97Å
176	L	96.8	Very high	96.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.4	171.9	-177.1	67.7	0	0	0	109.2	L114 F118 W120 V185 G186 M221 L225	L114-L176 HydrophobicContact CD1-CD1 3.44Å; L114-L176 VanDerWaalsContact CD1-CD1 3.44Å; L114-L176 HydrophobicContact CD2-CD1 3.56Å; L114-L176 HydrophobicContact CG-CD1 4.13Å; F118-L176 HydrophobicContact CB-CD1 3.88Å; F118-L176 HydrophobicContact CD1-CD2 4.37Å; F118-L176 HydrophobicContact CD1-CG 4.27Å; F118-L176 HydrophobicContact CG-CD1 4.49Å; W120-L176 HydrophobicContact CE3-CD1 4.25Å; W120-L176 HydrophobicContact CZ3-CD1 4.25Å; L176-V185 HydrophobicContact CD2-CG2 4.4Å; L176-V185 HydrophobicContact CG-CG2 4.2Å; L176-V185 VanDerWaalsContact O-CG2 3.25Å; L176-V185 WeakPolarHBondContact O-CG2 3.22Å; L176-V185 PolarHBondContact O-N 3Å; L176-G186 PolarHBondContact N-O 2.97Å; L176-G186 PolarHBondContact O-N 3.03Å; L176-M221 HydrophobicContact CD2-SD 4.05Å; L176-L225 HydrophobicContact CB-CD2 4.4Å
177	R	97.3	Very high	96.7	Very high	13 Å²	13	47.4 Å²	47.4	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	152	180	-72.8	179	-175.7	-86	0.8	112.2	F118 Y119 C121 E133 K182 K183 L184	F118-R177 CarbonylContact C-O 3.54Å; F118-R177 VanDerWaalsContact CA-O 3.23Å; F118-R177 WeakPolarHBondContact CA-O 3.12Å; Y119-R177 HydrophobicContact CD1-CB 3.97Å; Y119-R177 HydrophobicContact CE1-CB 3.41Å; Y119-R177 VanDerWaalsContact CE1-CB 3.41Å; Y119-R177 HydrophobicContact CE2-CB 4.01Å; Y119-R177 HydrophobicContact CG-CB 4.49Å; Y119-R177 VanDerWaalsContact CZ-CB 3.44Å; Y119-R177 PolarHBondContact N-O 3.01Å; Y119-R177 PolarHBondContact O-N 2.93Å; Y119-R177 WeakPolarHBondContact OH-CD 3.34Å; C121-R177 PolarHBondContact SG-NE 2.89Å; C121-R177 VanDerWaalsContact SG-NE 3.36Å; E133-R177 IonicContact OE1-NH1 3.82Å; E133-R177 PolarHBondContact OE1-NH1 2.76Å; E133-R177 IonicContact OE2-CZ 3.66Å; E133-R177 IonicContact OE2-NH1 3.75Å; E133-R177 PolarHBondContact OE2-NH1 3.34Å; E133-R177 IonicContact OE2-NH2 3.37Å; E133-R177 PolarHBondContact OE2-NH2 3.21Å; R177-K182 WeakPolarHBondContact CD-O 3.36Å; R177-K182 PolarHBondContact NH1-O 2.77Å; R177-K183 VanDerWaalsContact CA-O 3.3Å; R177-K183 WeakPolarHBondContact CA-O 3.38Å; R177-L184 HydrophobicContact CG-CB 4.44Å; R177-L184 HydrophobicContact CG-CD1 3.98Å
178	V	96.5	Very high	96.8	Very high	36 Å²	36	45.2 Å²	45.2	22%	0.218	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.1	170.8	177.4	0	0	0	0	109.4	G117 F118 K180 K182 K183 V185	G117-V178 CarbonylContact O-C 3.56Å; G117-V178 WeakPolarHBondContact O-CA 3.42Å; F118-V178 HydrophobicContact CD1-CG2 4.13Å; F118-V178 HydrophobicContact CE1-CG2 3.84Å; V178-K180 PolarHBondContact O-N 2.73Å; V178-K182 WeakPolarHBondContact O-CA 3.43Å; V178-K182 PolarHBondContact O-N 3.33Å; V178-K183 PolarHBondContact N-O 2.72Å; V178-V185 HydrophobicContact CG2-CB 4.48Å; V178-V185 HydrophobicContact CG2-CG1 3.72Å; V178-V185 HydrophobicContact CG2-CG2 3.93Å
179	T	95.8	Very high	96.9	Very high	76 Å²	76	41.6 Å²	41.6	47%	0.466	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-43	-175.7	-52.5	0	0	0	0	113.1	G117 F118	G117-T179 PolarHBondContact O-N 3.33Å; G117-T179 PolarHBondContact O-OG1 3.04Å; F118-T179 PolarHBondContact N-OG1 3.05Å
180	K	95.1	Very high	96.9	Very high	207 Å²	207	39 Å²	39	90%	0.9	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-43.7	-175.7	-67.8	-174.4	178.9	-178.2	0	113.5	V178	V178-K180 PolarHBondContact O-N 2.73Å
181	S	95.1	Very high	97	Very high	77 Å²	77	33.1 Å²	33.1	54%	0.538	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-9.8	-174.3	60.7	0	0	0	0	114	K183	S181-K183 PolarHBondContact O-N 2.77Å; S181-K183 WeakPolarHBondContact OG-CB 3.4Å; S181-K183 PolarHBondContact OG-N 2.97Å
182	K	95.5	Very high	97	Very high	139 Å²	139	32.9 Å²	32.9	60%	0.604	17%	0.165	S	C	*	.			trans	58	5.6	-169.7	-54.8	-179	-179.5	-179.7	0	114.8	R177 V178 L184	R177-K182 WeakPolarHBondContact CD-O 3.36Å; R177-K182 PolarHBondContact NH1-O 2.77Å; V178-K182 WeakPolarHBondContact O-CA 3.43Å; V178-K182 PolarHBondContact O-N 3.33Å; K182-L184 PolarHBondContact O-N 2.99Å
183	K	96.5	Very high	97	Very high	95 Å²	95	33.1 Å²	33.1	41%	0.413	17%	0.167	S	C	.	.			trans	-62.6	132.3	-178.4	-176.3	171.6	-176	175.8	0	110.8	R177 V178 S181 V185 H213	R177-K183 VanDerWaalsContact CA-O 3.3Å; R177-K183 WeakPolarHBondContact CA-O 3.38Å; V178-K183 PolarHBondContact N-O 2.72Å; S181-K183 PolarHBondContact O-N 2.77Å; S181-K183 WeakPolarHBondContact OG-CB 3.4Å; S181-K183 PolarHBondContact OG-N 2.97Å; K183-V185 HydrophobicContact CG-CG1 4.26Å; K183-H213 PolarHBondContact NZ-NE2 3.07Å
184	L	97.7	Very high	97	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.6	170.4	-170	70.8	0	0	0	110.2	V123 L134 L137 R177 K182	V123-L184 HydrophobicContact CG2-CD1 4.17Å; V123-L184 HydrophobicContact CG2-CD2 4.46Å; L134-L184 HydrophobicContact CB-CD2 4.43Å; L137-L184 HydrophobicContact CB-CD2 4.29Å; L137-L184 HydrophobicContact CD2-CD2 3.87Å; L137-L184 HydrophobicContact CD2-CG 3.96Å; R177-L184 HydrophobicContact CG-CB 4.44Å; R177-L184 HydrophobicContact CG-CD1 3.98Å; K182-L184 PolarHBondContact O-N 2.99Å
185	V	96.6	Very high	97	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-4	-172.8	-66.8	0	0	0	0	114.1	F118 L176 V178 K183 H213 L216	F118-V185 HydrophobicContact CD1-CG2 4.15Å; F118-V185 HydrophobicContact CE1-CG2 4.06Å; L176-V185 HydrophobicContact CD2-CG2 4.4Å; L176-V185 HydrophobicContact CG-CG2 4.2Å; L176-V185 VanDerWaalsContact O-CG2 3.25Å; L176-V185 WeakPolarHBondContact O-CG2 3.22Å; L176-V185 PolarHBondContact O-N 3Å; V178-V185 HydrophobicContact CG2-CB 4.48Å; V178-V185 HydrophobicContact CG2-CG1 3.72Å; V178-V185 HydrophobicContact CG2-CG2 3.93Å; K183-V185 HydrophobicContact CG-CG1 4.26Å; V185-H213 HydrophobicContact CB-CB 4.02Å; V185-H213 HydrophobicContact CG1-CB 4.41Å; V185-H213 VanDerWaalsContact O-CB 3.24Å; V185-H213 WeakPolarHBondContact O-CB 3.06Å; V185-H213 PolarHBondContact O-N 3.41Å; V185-L216 HydrophobicContact CB-CD1 3.67Å; V185-L216 HydrophobicContact CG1-CD1 4.38Å; V185-L216 HydrophobicContact CG2-CD1 3.64Å
186	G	96.7	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	150.3	171.4	0	0	0	0	0	110.8	G175 L176 C211	G175-G186 WeakPolarHBondContact CA-O 2.97Å; L176-G186 PolarHBondContact N-O 2.97Å; L176-G186 PolarHBondContact O-N 3.03Å; G186-C211 CarbonylContact C-O 3.59Å; G186-C211 WeakPolarHBondContact CA-O 3.46Å
187	F	98.1	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.5	179.5	-174.2	-109	0	0	0	110.2	V123 L134 L137 L163 H173 V174 A189 Y209 L210 C211	V123-F187 HydrophobicContact CB-CD2 4.44Å; V123-F187 HydrophobicContact CB-CE2 3.87Å; V123-F187 HydrophobicContact CG2-CD2 3.79Å; V123-F187 HydrophobicContact CG2-CE2 3.72Å; L134-F187 HydrophobicContact CD1-CB 4.1Å; L134-F187 HydrophobicContact CD1-CD1 3.38Å; L134-F187 HydrophobicContact CD1-CD2 3.83Å; L134-F187 HydrophobicContact CD1-CE1 3.6Å; L134-F187 HydrophobicContact CD1-CE2 4.04Å; L134-F187 HydrophobicContact CD1-CG 3.49Å; L134-F187 VanDerWaalsContact CD1-CG 3.49Å; L134-F187 HydrophobicContact CD1-CZ 3.92Å; L134-F187 HydrophobicContact CD2-CE1 4.03Å; L134-F187 HydrophobicContact CD2-CE2 4.32Å; L134-F187 HydrophobicContact CD2-CZ 3.84Å; L134-F187 HydrophobicContact CG-CE1 4.48Å; L137-F187 HydrophobicContact CD2-CB 3.68Å; L163-F187 HydrophobicContact CD1-CE1 4.2Å; L163-F187 HydrophobicContact CD1-CZ 4.04Å; H173-F187 HydrophobicContact CB-CE2 4.08Å; H173-F187 HydrophobicContact CB-CZ 4.23Å; V174-F187 WeakPolarHBondContact O-CA 3.41Å; V174-F187 WeakPolarHBondContact O-CD2 3.41Å; F187-A189 HydrophobicContact CE1-CB 3.8Å; F187-A189 HydrophobicContact CZ-CB 3.89Å; F187-Y209 CarbonylContact C-O 3.56Å; F187-Y209 VanDerWaalsContact O-O 3.12Å; F187-L210 CarbonylContact O-C 3.56Å; F187-L210 WeakPolarHBondContact O-CA 3.45Å; F187-C211 PolarHBondContact N-O 2.88Å; F187-C211 PolarHBondContact O-N 3.29Å
188	I	97.4	Very high	97	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	141.6	166.1	-175.5	164.4	0	0	0	107.2	V174 V207 L210 L225 I226 V229	V174-I188 HydrophobicContact CB-CG2 3.81Å; V174-I188 HydrophobicContact CG1-CG2 4.49Å; V174-I188 HydrophobicContact CG2-CG2 4.38Å; V174-I188 PolarHBondContact N-O 2.84Å; V174-I188 PolarHBondContact O-N 3.39Å; I188-V207 HydrophobicContact CD1-CG1 3.73Å; I188-V207 HydrophobicContact CG1-CG1 3.89Å; I188-L210 HydrophobicContact CB-CD1 4.25Å; I188-L210 HydrophobicContact CD1-CB 4.21Å; I188-L210 HydrophobicContact CD1-CD1 4.11Å; I188-L210 HydrophobicContact CG1-CB 4.31Å; I188-L225 HydrophobicContact CB-CB 4.49Å; I188-L225 HydrophobicContact CG2-CB 3.96Å; I188-L225 HydrophobicContact CG2-CD2 3.93Å; I188-I226 HydrophobicContact CD1-CG1 4.12Å; I188-V229 HydrophobicContact CD1-CG1 3.66Å; I188-V229 HydrophobicContact CG1-CG1 4.16Å; I188-V229 HydrophobicContact CG2-CB 3.97Å; I188-V229 HydrophobicContact CG2-CG1 4.17Å
189	A	97.8	Very high	97	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	151.8	178.4	0	0	0	0	0	111.8	L163 W172 F187 V207 N208 Y209	L163-A189 HydrophobicContact CD1-CB 4.41Å; L163-A189 HydrophobicContact CD2-CB 3.38Å; W172-A189 VanDerWaalsContact O-CA 3.31Å; W172-A189 WeakPolarHBondContact O-CA 3.35Å; F187-A189 HydrophobicContact CE1-CB 3.8Å; F187-A189 HydrophobicContact CZ-CB 3.89Å; A189-V207 WeakPolarHBondContact O-CA 3.3Å; A189-N208 PolarHBondContact N-O 2.99Å; A189-N208 PolarHBondContact O-N 3.25Å; A189-Y209 HydrophobicContact CB-CD2 4.33Å
190	A	97.6	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.4	166.1	0	0	0	0	0	110.4	W172 V205 E206 V207 V229 V233	W172-A190 HydrophobicContact CB-CB 4.07Å; W172-A190 VanDerWaalsContact CB-O 3.3Å; W172-A190 WeakPolarHBondContact CB-O 3.44Å; W172-A190 HydrophobicContact CD2-CB 4.37Å; W172-A190 HydrophobicContact CE3-CB 4.37Å; W172-A190 HydrophobicContact CG-CB 4.3Å; W172-A190 PolarHBondContact O-N 3.06Å; W172-A190 VanDerWaalsContact O-N 3.16Å; A190-V205 HydrophobicContact CB-CB 4.08Å; A190-V205 HydrophobicContact CB-CG2 4.12Å; A190-E206 CarbonylContact C-O 3.5Å; A190-E206 WeakPolarHBondContact CA-O 3.43Å; A190-V207 HydrophobicContact CB-CG2 4.16Å; A190-V229 HydrophobicContact CB-CG2 3.94Å; A190-V233 HydrophobicContact CB-CG2 4.11Å
191	I	97.4	Very high	97.1	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.6	174.5	64.7	174.9	0	0	0	109.9	I162 L163 V205 E206	I162-I191 HydrophobicContact CG2-CD1 4.11Å; L163-I191 HydrophobicContact CD2-CG2 4.17Å; I191-V205 CarbonylContact O-C 3.56Å; I191-V205 WeakPolarHBondContact O-CA 3.38Å; I191-V205 WeakPolarHBondContact O-CB 3.13Å; I191-E206 HydrophobicContact CD1-CB 4.37Å; I191-E206 HydrophobicContact CG1-CB 3.74Å; I191-E206 PolarHBondContact N-O 2.82Å; I191-E206 PolarHBondContact O-N 3.44Å
192	P	97.7	Very high	97.2	Very high	18 Å²	18	35 Å²	35	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.4	177.9	30.4	-37.6	0	0	0	110.8	P166 W172	P166-P192 WeakPolarHBondContact O-CG 3.47Å; W172-P192 HydrophobicContact CZ3-CB 4.18Å
193	C	96.8	Very high	97.3	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.2	172.1	169.7	0	0	0	0	110.4	L204 E206	C193-L204 HydrophobicContact CB-CD1 3.92Å; C193-L204 PolarHBondContact N-O 3.46Å; C193-L204 CarbonylContact O-C 3.55Å; C193-L204 PolarHBondContact O-N 3.38Å; C193-L204 VanDerWaalsContact O-O 3.04Å; C193-E206 HydrophobicContact CB-CB 4.49Å; C193-E206 HydrophobicContact CB-CG 3.62Å; C193-E206 WeakPolarHBondContact CB-OE1 3.42Å; C193-E206 PolarHBondContact SG-OE1 2.75Å
194	H	98.1	Very high	97.4	Very high	46 Å²	46	27.3 Å²	27.3	21%	0.213	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114	169.8	-169.4	-167.9	0	0	0	109	Q203 P326 I327	H194-Q203 PolarHBondContact CD2-NE2 3.36Å; H194-Q203 PolarHBondContact CE1-NE2 2.97Å; H194-Q203 PolarHBondContact ND1-NE2 2.92Å; H194-Q203 VanDerWaalsContact ND1-NE2 3.18Å; H194-Q203 PolarHBondContact NE2-NE2 3.5Å; H194-P326 CarbonylContact O-C 3.44Å; H194-P326 WeakPolarHBondContact O-CA 3.46Å; H194-I327 HydrophobicContact CB-CB 4.28Å; H194-I327 PolarHBondContact O-N 2.92Å
195	L	98.1	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	-171.5	-154.9	70.9	0	0	0	111.7	I197 A201 K202 L204 L242 I324 H325 P326 L440 I455	L195-I197 HydrophobicContact CB-CG1 4.45Å; L195-I197 HydrophobicContact CD2-CD1 4.17Å; L195-I197 HydrophobicContact CD2-CG1 3.82Å; L195-I197 HydrophobicContact CG-CG1 4.16Å; L195-A201 CarbonylContact O-C 3.6Å; L195-A201 WeakPolarHBondContact O-CA 3.25Å; L195-K202 PolarHBondContact N-O 2.96Å; L195-K202 PolarHBondContact O-N 3.26Å; L195-L204 HydrophobicContact CB-CD1 4.36Å; L195-L204 HydrophobicContact CB-CD2 3.75Å; L195-L204 HydrophobicContact CB-CG 4.03Å; L195-L204 HydrophobicContact CD2-CD2 3.87Å; L195-L204 HydrophobicContact CG-CD2 4.46Å; L195-L242 HydrophobicContact CD1-CD2 4.26Å; L195-L242 HydrophobicContact CD2-CD2 4.16Å; L195-I324 HydrophobicContact CD2-CG2 4.18Å; L195-H325 WeakPolarHBondContact CD1-O 3.22Å; L195-P326 HydrophobicContact CD1-CB 4.39Å; L195-L440 HydrophobicContact CD2-CD2 3.99Å; L195-I455 HydrophobicContact CD1-CD1 3.27Å; L195-I455 HydrophobicContact CD1-CG1 3.92Å; L195-I455 HydrophobicContact CD2-CD1 3.89Å; L195-I455 HydrophobicContact CG-CD1 4.04Å
196	Q	98.2	Very high	97.4	Very high	36 Å²	36	27.6 Å²	27.6	17%	0.168	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126	162.3	-171.3	65.9	27.3	0	0	108.4	Y198 D199 I324 H325 I327	Q196-Y198 PolarHBondContact NE2-O 3.2Å; Q196-D199 VanDerWaalsContact NE2-C 3.34Å; Q196-I324 VanDerWaalsContact O-CA 3.3Å; Q196-I324 WeakPolarHBondContact O-CA 3.08Å; Q196-H325 VanDerWaalsContact CB-CE1 3.43Å; Q196-H325 WeakPolarHBondContact CB-CE1 3.46Å; Q196-H325 WeakPolarHBondContact CB-NE2 3.3Å; Q196-H325 VanDerWaalsContact CG-CE1 3.44Å; Q196-H325 WeakPolarHBondContact CG-CE1 3.28Å; Q196-H325 PolarHBondContact N-O 3.27Å; Q196-H325 PolarHBondContact O-N 3.42Å; Q196-H325 VanDerWaalsContact O-N 3.14Å; Q196-I327 HydrophobicContact CB-CD1 4.15Å; Q196-I327 HydrophobicContact CB-CG1 4.24Å
197	I	97.9	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	99.1	175.1	-52.3	160.5	0	0	0	107.1	N95 L195 D199 K200 L204 I324 L440 W443 C445	N95-I197 PolarHBondContact ND2-O 3.39Å; L195-I197 HydrophobicContact CB-CG1 4.45Å; L195-I197 HydrophobicContact CD2-CD1 4.17Å; L195-I197 HydrophobicContact CD2-CG1 3.82Å; L195-I197 HydrophobicContact CG-CG1 4.16Å; I197-D199 PolarHBondContact O-N 2.79Å; I197-D199 VanDerWaalsContact O-N 3.11Å; I197-K200 PolarHBondContact N-O 2.9Å; I197-K200 PolarHBondContact O-N 2.7Å; I197-L204 HydrophobicContact CD1-CD2 4.29Å; I197-I324 HydrophobicContact CG2-CD1 4.41Å; I197-I324 HydrophobicContact CG2-CG1 4.28Å; I197-L440 HydrophobicContact CD1-CD1 3.89Å; I197-L440 HydrophobicContact CD1-CD2 4.45Å; I197-L440 HydrophobicContact CG1-CD1 4.28Å; I197-L440 HydrophobicContact CG2-CD1 4.12Å; I197-W443 HydrophobicContact CB-CZ2 4.45Å; I197-W443 HydrophobicContact CD1-CD2 4.06Å; I197-W443 HydrophobicContact CD1-CG 4.19Å; I197-W443 HydrophobicContact CD1-CZ2 4.22Å; I197-C445 HydrophobicContact CG2-CB 4.16Å
198	Y	97	Very high	97.2	Very high	55 Å²	55	30.4 Å²	30.4	22%	0.216	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	-108.5	-169.5	-63.4	-88.3	0	0	0	111.8	Q196 N323 I324 C445 P446 T448	Q196-Y198 PolarHBondContact NE2-O 3.2Å; Y198-N323 WeakPolarHBondContact CA-O 3.5Å; Y198-N323 HydrophobicContact CD1-CB 3.76Å; Y198-N323 HydrophobicContact CE1-CB 3.67Å; Y198-N323 WeakPolarHBondContact CE1-ND2 3.16Å; Y198-N323 HydrophobicContact CG-CB 4.38Å; Y198-N323 PolarHBondContact N-O 3.16Å; Y198-I324 HydrophobicContact CE2-CD1 4.34Å; Y198-I324 HydrophobicContact CE2-CG1 4.46Å; Y198-C445 HydrophobicContact CD2-CB 3.99Å; Y198-C445 HydrophobicContact CE2-CB 3.74Å; Y198-P446 PolarHBondContact OH-O 2.73Å; Y198-T448 PolarHBondContact OH-OG1 3.23Å
199	D	95.3	Very high	97.1	Very high	119 Å²	119	30.3 Å²	30.3	64%	0.636	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.4	-179.3	62.8	-51.3	0	0	0	113.8	N95 Q196 I197	N95-D199 PolarHBondContact ND2-OD1 2.94Å; Q196-D199 VanDerWaalsContact NE2-C 3.34Å; I197-D199 PolarHBondContact O-N 2.79Å; I197-D199 VanDerWaalsContact O-N 3.11Å
200	K	97.1	Very high	97	Very high	82 Å²	82	33.3 Å²	33.3	36%	0.357	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.8	-172.3	-64.4	-177.1	180	-178.7	0	112.4	N95 I197 W443	N95-K200 WeakPolarHBondContact O-CE 3.05Å; N95-K200 PolarHBondContact O-NZ 3.08Å; I197-K200 PolarHBondContact N-O 2.9Å; I197-K200 PolarHBondContact O-N 2.7Å; K200-W443 HydrophobicContact CB-CH2 4.08Å; K200-W443 HydrophobicContact CB-CZ2 3.93Å; K200-W443 HydrophobicContact CD-CH2 3.86Å; K200-W443 HydrophobicContact CD-CZ2 3.84Å; K200-W443 HydrophobicContact CG-CZ2 4.48Å
201	A	97.3	Very high	96.9	Very high	55 Å²	55	33.5 Å²	33.5	46%	0.455	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.8	166.3	0	0	0	0	0	110.2	L195 I327	L195-A201 CarbonylContact O-C 3.6Å; L195-A201 WeakPolarHBondContact O-CA 3.25Å; A201-I327 HydrophobicContact CB-CD1 3.94Å
202	K	97.1	Very high	96.8	Very high	60 Å²	60	34.1 Å²	34.1	26%	0.261	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	133.7	177.6	-164	68.8	171.7	179.3	0	110.8	D101 L195 L204 W443	D101-K202 IonicContact OD2-NZ 3.67Å; D101-K202 PolarHBondContact OD2-NZ 2.93Å; L195-K202 PolarHBondContact N-O 2.96Å; L195-K202 PolarHBondContact O-N 3.26Å; K202-L204 PolarHBondContact O-N 2.96Å; K202-W443 HydrophobicContact CD-CZ3 4.39Å; K202-W443 HydrophobicContact CG-CZ3 4.31Å
203	Q	97.2	Very high	96.6	Very high	73 Å²	73	34.2 Å²	34.2	34%	0.341	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.8	170.5	-66.5	-83.6	-28	0	0	108.7	H194 R238	H194-Q203 PolarHBondContact CD2-NE2 3.36Å; H194-Q203 PolarHBondContact CE1-NE2 2.97Å; H194-Q203 PolarHBondContact ND1-NE2 2.92Å; H194-Q203 VanDerWaalsContact ND1-NE2 3.18Å; H194-Q203 PolarHBondContact NE2-NE2 3.5Å; Q203-R238 VanDerWaalsContact CB-CZ 3.42Å
204	L	97.5	Very high	96.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-168.8	-173.7	58.8	74.9	0	0	0	110.4	C193 L195 I197 K202 Q240 L242	C193-L204 HydrophobicContact CB-CD1 3.92Å; C193-L204 PolarHBondContact N-O 3.46Å; C193-L204 CarbonylContact O-C 3.55Å; C193-L204 PolarHBondContact O-N 3.38Å; C193-L204 VanDerWaalsContact O-O 3.04Å; L195-L204 HydrophobicContact CB-CD1 4.36Å; L195-L204 HydrophobicContact CB-CD2 3.75Å; L195-L204 HydrophobicContact CB-CG 4.03Å; L195-L204 HydrophobicContact CD2-CD2 3.87Å; L195-L204 HydrophobicContact CG-CD2 4.46Å; I197-L204 HydrophobicContact CD1-CD2 4.29Å; K202-L204 PolarHBondContact O-N 2.96Å; L204-Q240 HydrophobicContact CB-CB 3.94Å; L204-Q240 WeakPolarHBondContact CB-O 3.46Å; L204-Q240 HydrophobicContact CD2-CB 4.41Å; L204-L242 HydrophobicContact CD1-CB 3.96Å
205	V	98.1	Very high	96.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	142.6	172.6	-58.7	0	0	0	0	112.2	W172 A190 I191 V207 V233 R238 Q240 A241 L242	W172-V205 HydrophobicContact CE3-CG1 4.14Å; W172-V205 HydrophobicContact CH2-CG1 3.37Å; W172-V205 HydrophobicContact CZ2-CG1 3.87Å; W172-V205 HydrophobicContact CZ3-CG1 3.53Å; A190-V205 HydrophobicContact CB-CB 4.08Å; A190-V205 HydrophobicContact CB-CG2 4.12Å; I191-V205 CarbonylContact O-C 3.56Å; I191-V205 WeakPolarHBondContact O-CA 3.38Å; I191-V205 WeakPolarHBondContact O-CB 3.13Å; V205-V207 HydrophobicContact CG2-CG2 4.13Å; V205-V233 HydrophobicContact CB-CG1 4.43Å; V205-V233 HydrophobicContact CG1-CG1 3.8Å; V205-V233 HydrophobicContact CG1-CG2 4.23Å; V205-V233 HydrophobicContact CG2-CG1 3.7Å; V205-V233 HydrophobicContact CG2-CG2 3.99Å; V205-R238 HydrophobicContact CG1-CB 4.37Å; V205-R238 HydrophobicContact CG1-CG 4.43Å; V205-Q240 PolarHBondContact N-O 3.08Å; V205-A241 HydrophobicContact CG2-CB 3.69Å; V205-A241 CarbonylContact O-C 3.54Å; V205-A241 WeakPolarHBondContact O-CA 3.22Å; V205-A241 WeakPolarHBondContact O-CB 3.47Å; V205-L242 PolarHBondContact O-N 2.86Å
206	E	97.2	Very high	95.7	Very high	18 Å²	18	44.6 Å²	44.6	8%	0.084	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.9	165.4	-76.1	171.2	-167.6	0	0	109.1	A190 I191 C193 L242 L457	A190-E206 CarbonylContact C-O 3.5Å; A190-E206 WeakPolarHBondContact CA-O 3.43Å; I191-E206 HydrophobicContact CD1-CB 4.37Å; I191-E206 HydrophobicContact CG1-CB 3.74Å; I191-E206 PolarHBondContact N-O 2.82Å; I191-E206 PolarHBondContact O-N 3.44Å; C193-E206 HydrophobicContact CB-CB 4.49Å; C193-E206 HydrophobicContact CB-CG 3.62Å; C193-E206 WeakPolarHBondContact CB-OE1 3.42Å; C193-E206 PolarHBondContact SG-OE1 2.75Å; E206-L242 CarbonylContact C-O 3.49Å; E206-L242 WeakPolarHBondContact CA-O 3.33Å; E206-L242 HydrophobicContact CG-CB 4.26Å; E206-L242 HydrophobicContact CG-CD2 4.05Å; E206-L242 HydrophobicContact CG-CG 4.47Å; E206-L457 HydrophobicContact CG-CD2 3.97Å
207	V	97	Very high	95.3	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.3	178.9	176.1	0	0	0	0	109.6	I188 A189 A190 V205 A241 L242 F243	I188-V207 HydrophobicContact CD1-CG1 3.73Å; I188-V207 HydrophobicContact CG1-CG1 3.89Å; A189-V207 WeakPolarHBondContact O-CA 3.3Å; A190-V207 HydrophobicContact CB-CG2 4.16Å; V205-V207 HydrophobicContact CG2-CG2 4.13Å; V207-A241 HydrophobicContact CG2-CB 3.94Å; V207-L242 PolarHBondContact N-O 3.5Å; V207-F243 HydrophobicContact CB-CB 4.25Å
208	N	94.3	Very high	94.6	Very high	28 Å²	28	52.6 Å²	52.6	15%	0.15	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	176	-179.5	-154.8	-10.6	0	0	0	111.3	Y142 A189 L210 Q458	Y142-N208 PolarHBondContact OH-OD1 3.47Å; A189-N208 PolarHBondContact N-O 2.99Å; A189-N208 PolarHBondContact O-N 3.25Å; N208-L210 VanDerWaalsContact C-N 3.28Å; N208-L210 PolarHBondContact O-N 3.45Å; N208-Q458 PolarHBondContact ND2-O 3.34Å
209	Y	95.3	Very high	94.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.8	28.4	173	-51.5	-70.9	0	0	0	115.7	L138 Y142 Y154 L159 I162 L163 F187 A189 C211	L138-Y209 HydrophobicContact CD1-CD1 4.09Å; Y142-Y209 HydrophobicContact CE1-CD1 4.38Å; Y142-Y209 VanDerWaalsContact OH-CA 3.31Å; Y142-Y209 WeakPolarHBondContact OH-CA 3.4Å; Y142-Y209 PolarHBondContact OH-N 2.93Å; Y154-Y209 AromaticContact CD1-CE1 3.81Å; Y154-Y209 HydrophobicContact CD1-CE1 3.81Å; Y154-Y209 HydrophobicContact CD2-CE1 4.29Å; Y154-Y209 AromaticContact CE1-CE1 3.77Å; Y154-Y209 HydrophobicContact CE1-CE1 3.77Å; Y154-Y209 HydrophobicContact CE2-CE1 4.27Å; Y154-Y209 HydrophobicContact CG-CE1 4.07Å; L159-Y209 HydrophobicContact CD2-CD1 4.18Å; L159-Y209 HydrophobicContact CD2-CE1 3.83Å; I162-Y209 HydrophobicContact CG2-CE2 4.06Å; L163-Y209 HydrophobicContact CD2-CD2 3.73Å; L163-Y209 HydrophobicContact CD2-CE2 3.73Å; L163-Y209 HydrophobicContact CG-CD2 4.38Å; L163-Y209 HydrophobicContact CG-CE2 4.17Å; F187-Y209 CarbonylContact C-O 3.56Å; F187-Y209 VanDerWaalsContact O-O 3.12Å; A189-Y209 HydrophobicContact CB-CD2 4.33Å; Y209-C211 PolarHBondContact O-N 3.24Å
210	L	95.6	Very high	93.7	Very high	65 Å²	65	58 Å²	58	34%	0.34	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	103.8	171.7	173.1	58.1	0	0	0	110	Y142 F187 I188 N208 A222 L225 I226	Y142-L210 WeakPolarHBondContact CE2-O 3.43Å; F187-L210 CarbonylContact O-C 3.56Å; F187-L210 WeakPolarHBondContact O-CA 3.45Å; I188-L210 HydrophobicContact CB-CD1 4.25Å; I188-L210 HydrophobicContact CD1-CB 4.21Å; I188-L210 HydrophobicContact CD1-CD1 4.11Å; I188-L210 HydrophobicContact CG1-CB 4.31Å; N208-L210 VanDerWaalsContact C-N 3.28Å; N208-L210 PolarHBondContact O-N 3.45Å; L210-A222 HydrophobicContact CD1-CB 4.28Å; L210-A222 HydrophobicContact CD2-CB 4.32Å; L210-L225 HydrophobicContact CD1-CB 4.16Å; L210-L225 HydrophobicContact CD1-CD1 4.01Å; L210-I226 HydrophobicContact CD2-CD1 4.02Å; L210-I226 HydrophobicContact CD2-CG1 4.18Å
211	C	95.7	Very high	93.4	Very high	3 Å²	3	55 Å²	55	2%	0.02	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.7	-179.1	-170.8	0	0	0	0	110.5	L137 L138 Y142 G186 F187 Y209	L137-C211 HydrophobicContact CD2-CB 4.46Å; L138-C211 HydrophobicContact CD2-CB 3.62Å; Y142-C211 HydrophobicContact CD2-CB 3.78Å; Y142-C211 HydrophobicContact CE2-CB 4.34Å; G186-C211 CarbonylContact C-O 3.59Å; G186-C211 WeakPolarHBondContact CA-O 3.46Å; F187-C211 PolarHBondContact N-O 2.88Å; F187-C211 PolarHBondContact O-N 3.29Å; Y209-C211 PolarHBondContact O-N 3.24Å
212	V	94.7	Very high	93.1	Very high	19 Å²	19	53.8 Å²	53.8	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.9	170.3	176.9	0	0	0	0	107.5	K214 L216 M221 A222 L225	V212-K214 PolarHBondContact O-N 3.07Å; V212-L216 HydrophobicContact CG1-CB 3.83Å; V212-M221 HydrophobicContact CG1-CB 3.92Å; V212-M221 HydrophobicContact CG1-CG 4.42Å; V212-M221 HydrophobicContact CG2-CB 4.1Å; V212-A222 HydrophobicContact CG2-CB 4.19Å; V212-L225 HydrophobicContact CG2-CD1 3.82Å
213	H	94.2	Very high	92.8	Very high	20 Å²	20	52.4 Å²	52.4	9%	0.093	26%	0.257	C	S	.	.			trans	-51.4	136.6	178	-174.4	-72.9	0	0	0	110.9	L137 K183 V185 K215 L216 R217	L137-H213 HydrophobicContact CD1-CB 4.16Å; K183-H213 PolarHBondContact NZ-NE2 3.07Å; V185-H213 HydrophobicContact CB-CB 4.02Å; V185-H213 HydrophobicContact CG1-CB 4.41Å; V185-H213 VanDerWaalsContact O-CB 3.24Å; V185-H213 WeakPolarHBondContact O-CB 3.06Å; V185-H213 PolarHBondContact O-N 3.41Å; H213-K215 VanDerWaalsContact C-N 3.27Å; H213-K215 PolarHBondContact ND1-N 2.72Å; H213-K215 PolarHBondContact O-N 3.14Å; H213-K215 VanDerWaalsContact O-N 3.08Å; H213-L216 WeakPolarHBondContact O-CA 3.48Å; H213-L216 PolarHBondContact O-N 3.26Å; H213-R217 PolarHBondContact O-N 2.95Å
214	K	91.9	Very high	92.6	Very high	78 Å²	78	50.2 Å²	50.2	34%	0.339	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-49.9	-43	-171.2	-77.1	169.1	174.8	161.6	0	114	E140 N141 E144 R151 V212 L216 R217	E140-K214 WeakPolarHBondContact O-CE 3.19Å; E140-K214 PolarHBondContact O-NZ 3.2Å; N141-K214 HydrophobicContact CB-CG 4.49Å; N141-K214 PolarHBondContact OD1-N 3.47Å; E144-K214 VanDerWaalsContact OE1-CE 3.24Å; E144-K214 WeakPolarHBondContact OE1-CE 3.18Å; E144-K214 IonicContact OE1-NZ 2.81Å; E144-K214 PolarHBondContact OE1-NZ 2.93Å; R151-K214 VanDerWaalsContact NH2-NZ 3.11Å; V212-K214 PolarHBondContact O-N 3.07Å; K214-L216 PolarHBondContact O-N 2.85Å; K214-L216 VanDerWaalsContact O-N 3.11Å; K214-R217 WeakPolarHBondContact O-CB 3.37Å; K214-R217 PolarHBondContact O-N 3.37Å; K214-R217 VanDerWaalsContact O-N 3.14Å
215	K	91.9	Very high	92.4	Very high	174 Å²	174	50.2 Å²	50.2	76%	0.757	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-61.6	-14.7	176.7	-64	-177.2	-180	-179.8	0	115.3	H213 K219	H213-K215 VanDerWaalsContact C-N 3.27Å; H213-K215 PolarHBondContact ND1-N 2.72Å; H213-K215 PolarHBondContact O-N 3.14Å; H213-K215 VanDerWaalsContact O-N 3.08Å; K215-K219 PolarHBondContact O-NZ 3.22Å
216	L	90.3	Very high	92.3	Very high	20 Å²	20	51.2 Å²	51.2	11%	0.105	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-112.1	1.1	179.2	-60.7	-179.4	0	0	0	113.3	F118 V185 V212 H213 K214 K219 M221	F118-L216 HydrophobicContact CE1-CD1 3.75Å; F118-L216 HydrophobicContact CE1-CD2 4.41Å; F118-L216 HydrophobicContact CZ-CD1 4.16Å; F118-L216 HydrophobicContact CZ-CD2 4.04Å; V185-L216 HydrophobicContact CB-CD1 3.67Å; V185-L216 HydrophobicContact CG1-CD1 4.38Å; V185-L216 HydrophobicContact CG2-CD1 3.64Å; V212-L216 HydrophobicContact CG1-CB 3.83Å; H213-L216 WeakPolarHBondContact O-CA 3.48Å; H213-L216 PolarHBondContact O-N 3.26Å; K214-L216 PolarHBondContact O-N 2.85Å; K214-L216 VanDerWaalsContact O-N 3.11Å; L216-K219 HydrophobicContact CD2-CD 4.27Å; L216-K219 WeakPolarHBondContact O-CB 3.43Å; L216-K219 PolarHBondContact O-N 3.01Å; L216-M221 HydrophobicContact CB-CG 4.23Å
217	R	88.3	Confident	92.2	Very high	82 Å²	82	54.9 Å²	54.9	31%	0.309	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	153.1	174	-68	-175.6	-175.4	-177.1	3.2	110.4	N141 H213 K214 K219	N141-R217 PolarHBondContact O-NH2 3.29Å; H213-R217 PolarHBondContact O-N 2.95Å; K214-R217 WeakPolarHBondContact O-CB 3.37Å; K214-R217 PolarHBondContact O-N 3.37Å; K214-R217 VanDerWaalsContact O-N 3.14Å; R217-K219 PolarHBondContact O-N 2.81Å; R217-K219 VanDerWaalsContact O-N 3.09Å
218	S	84.3	Confident	92.2	Very high	122 Å²	122	53.5 Å²	53.5	85%	0.853	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	7.2	-176.2	-52.1	0	0	0	0	116.4
219	K	87	Confident	92.4	Very high	126 Å²	126	52.3 Å²	52.3	55%	0.548	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	20.3	175.3	-58.5	-175.9	-178.2	174.2	0	114.1	K215 L216 R217 M221	K215-K219 PolarHBondContact O-NZ 3.22Å; L216-K219 HydrophobicContact CD2-CD 4.27Å; L216-K219 WeakPolarHBondContact O-CB 3.43Å; L216-K219 PolarHBondContact O-N 3.01Å; R217-K219 PolarHBondContact O-N 2.81Å; R217-K219 VanDerWaalsContact O-N 3.09Å; K219-M221 HydrophobicContact CB-CE 4.5Å; K219-M221 HydrophobicContact CB-CG 4.42Å; K219-M221 WeakPolarHBondContact O-CE 3.46Å; K219-M221 PolarHBondContact O-N 3.05Å
220	R	86.8	Confident	92.4	Very high	161 Å²	161	53.5 Å²	53.5	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	25.3	-177.3	-54.5	-172.2	-177.7	-158.5	6.8	115.2	P223 V224	R220-P223 HydrophobicContact CB-CG 4.49Å; R220-P223 WeakPolarHBondContact O-CD 3.32Å; R220-V224 WeakPolarHBondContact O-CG2 3.49Å
221	M	89.4	Confident	92.6	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.089	25%	0.247	C	C	.	.	H	α-helix	trans	-66.8	-38.6	176.7	-65.8	-62.3	101.3	0	0	112.8	P115 L176 V212 L216 K219 V224 L225	P115-M221 HydrophobicContact CG-CE 3.93Å; L176-M221 HydrophobicContact CD2-SD 4.05Å; V212-M221 HydrophobicContact CG1-CB 3.92Å; V212-M221 HydrophobicContact CG1-CG 4.42Å; V212-M221 HydrophobicContact CG2-CB 4.1Å; L216-M221 HydrophobicContact CB-CG 4.23Å; K219-M221 HydrophobicContact CB-CE 4.5Å; K219-M221 HydrophobicContact CB-CG 4.42Å; K219-M221 WeakPolarHBondContact O-CE 3.46Å; K219-M221 PolarHBondContact O-N 3.05Å; M221-V224 WeakPolarHBondContact O-CB 3.4Å; M221-V224 PolarHBondContact O-N 2.93Å; M221-L225 PolarHBondContact O-N 3.26Å
222	A	91	Very high	92.7	Very high	31 Å²	31	51.9 Å²	51.9	26%	0.256	25%	0.248	S	C	.	.	H	α-helix	trans	-58.9	-48.9	179	0	0	0	0	0	113.2	L210 V212 V224 L225 I226	L210-A222 HydrophobicContact CD1-CB 4.28Å; L210-A222 HydrophobicContact CD2-CB 4.32Å; V212-A222 HydrophobicContact CG2-CB 4.19Å; A222-V224 PolarHBondContact O-N 3.17Å; A222-L225 PolarHBondContact O-N 2.73Å; A222-I226 WeakPolarHBondContact O-CG1 3.32Å; A222-I226 PolarHBondContact O-N 3.02Å
223	P	91.9	Very high	92.8	Very high	30 Å²	30	51.3 Å²	51.3	20%	0.195	25%	0.245	C	C	.	.	H	α-helix	trans	-51.6	-35	170.2	-33.8	36.8	0	0	0	115.4	F79 R220 R227	F79-P223 HydrophobicContact CB-CG 4.32Å; F79-P223 HydrophobicContact CD2-CB 3.62Å; F79-P223 HydrophobicContact CD2-CG 4.15Å; F79-P223 HydrophobicContact CE2-CB 3.8Å; F79-P223 HydrophobicContact CG-CB 4.07Å; F79-P223 HydrophobicContact CG-CG 4.09Å; F79-P223 HydrophobicContact CZ-CB 4.42Å; R220-P223 HydrophobicContact CB-CG 4.49Å; R220-P223 WeakPolarHBondContact O-CD 3.32Å; P223-R227 VanDerWaalsContact O-CG 3.31Å; P223-R227 WeakPolarHBondContact O-CG 3.22Å; P223-R227 PolarHBondContact O-N 3.03Å; P223-R227 VanDerWaalsContact O-N 3.13Å
224	V	92.3	Very high	93	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.17	25%	0.248	C	C	.	.	H	α-helix	trans	-74.3	-42.4	-179.2	-179.9	0	0	0	0	110.6	L114 W120 R220 M221 A222 R227 E228	L114-V224 HydrophobicContact CD2-CG1 3.75Å; W120-V224 HydrophobicContact CH2-CG1 3.79Å; W120-V224 HydrophobicContact CZ2-CG1 3.74Å; R220-V224 WeakPolarHBondContact O-CG2 3.49Å; M221-V224 WeakPolarHBondContact O-CB 3.4Å; M221-V224 PolarHBondContact O-N 2.93Å; A222-V224 PolarHBondContact O-N 3.17Å; V224-R227 PolarHBondContact O-N 3.04Å; V224-E228 PolarHBondContact O-N 2.72Å; V224-E228 VanDerWaalsContact O-N 3.08Å
225	L	94.3	Very high	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-47.6	171.6	-78.5	160.6	0	0	0	111.9	W120 V174 L176 I188 L210 V212 M221 A222 R227 E228 V229	W120-L225 HydrophobicContact CH2-CD2 4.48Å; W120-L225 HydrophobicContact CZ3-CD2 3.84Å; V174-L225 HydrophobicContact CG1-CD2 4.4Å; L176-L225 HydrophobicContact CB-CD2 4.4Å; I188-L225 HydrophobicContact CB-CB 4.49Å; I188-L225 HydrophobicContact CG2-CB 3.96Å; I188-L225 HydrophobicContact CG2-CD2 3.93Å; L210-L225 HydrophobicContact CD1-CB 4.16Å; L210-L225 HydrophobicContact CD1-CD1 4.01Å; V212-L225 HydrophobicContact CG2-CD1 3.82Å; M221-L225 PolarHBondContact O-N 3.26Å; A222-L225 PolarHBondContact O-N 2.73Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 3.4Å; L225-E228 PolarHBondContact O-N 3.26Å; L225-V229 PolarHBondContact O-N 2.7Å
226	I	94.9	Very high	93.4	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.118	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-44.8	179.5	-66.4	165.6	0	0	0	110.9	F79 I188 L210 A222 E228 V229 T230	F79-I226 HydrophobicContact CE1-CB 4.4Å; F79-I226 HydrophobicContact CE1-CD1 3.86Å; F79-I226 HydrophobicContact CE1-CG2 4.07Å; F79-I226 HydrophobicContact CZ-CB 4.01Å; F79-I226 HydrophobicContact CZ-CD1 4.3Å; F79-I226 HydrophobicContact CZ-CG2 3.73Å; I188-I226 HydrophobicContact CD1-CG1 4.12Å; L210-I226 HydrophobicContact CD2-CD1 4.02Å; L210-I226 HydrophobicContact CD2-CG1 4.18Å; A222-I226 WeakPolarHBondContact O-CG1 3.32Å; A222-I226 PolarHBondContact O-N 3.02Å; I226-E228 PolarHBondContact O-N 2.74Å; I226-V229 VanDerWaalsContact O-CG1 3.3Å; I226-V229 WeakPolarHBondContact O-CG1 3.26Å; I226-T230 WeakPolarHBondContact O-CB 3.41Å; I226-T230 PolarHBondContact O-N 3.11Å; I226-T230 PolarHBondContact O-OG1 3.44Å
227	R	95.4	Very high	93.7	Very high	95 Å²	95	48.6 Å²	48.6	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-40.3	177.7	-76.5	175.1	-179.6	166.8	-0.8	112.7	F79 Y112 P223 V224 L225 T230 R231	F79-R227 HydrophobicContact CE2-CG 4.19Å; Y112-R227 HydrophobicContact CD2-CB 3.95Å; Y112-R227 HydrophobicContact CE1-CB 4.41Å; Y112-R227 HydrophobicContact CE2-CB 3.78Å; Y112-R227 VanDerWaalsContact CE2-O 3.29Å; Y112-R227 WeakPolarHBondContact CE2-O 3.22Å; Y112-R227 HydrophobicContact CG-CB 4.31Å; P223-R227 VanDerWaalsContact O-CG 3.31Å; P223-R227 WeakPolarHBondContact O-CG 3.22Å; P223-R227 PolarHBondContact O-N 3.03Å; P223-R227 VanDerWaalsContact O-N 3.13Å; V224-R227 PolarHBondContact O-N 3.04Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 3.4Å; R227-T230 PolarHBondContact O-N 2.73Å; R227-R231 WeakPolarHBondContact O-CB 3.36Å; R227-R231 PolarHBondContact O-N 2.78Å
228	E	97.6	Very high	94	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-44.1	179.8	-179	58.3	-163	0	0	111.9	P111 Y112 W120 V174 V224 L225 I226 T230 R231 R232	P111-E228 WeakPolarHBondContact CA-OE2 3.47Å; Y112-E228 PolarHBondContact N-OE2 3.33Å; W120-E228 HydrophobicContact CD2-CG 4.08Å; W120-E228 HydrophobicContact CE3-CG 4.16Å; W120-E228 HydrophobicContact CH2-CB 3.57Å; W120-E228 HydrophobicContact CH2-CG 3.94Å; W120-E228 HydrophobicContact CZ2-CB 3.66Å; W120-E228 HydrophobicContact CZ2-CG 3.86Å; W120-E228 HydrophobicContact CZ3-CB 4.12Å; W120-E228 HydrophobicContact CZ3-CG 4.11Å; V174-E228 HydrophobicContact CG1-CB 4.4Å; V174-E228 HydrophobicContact CG1-CG 3.84Å; V224-E228 PolarHBondContact O-N 2.72Å; V224-E228 VanDerWaalsContact O-N 3.08Å; L225-E228 PolarHBondContact O-N 3.26Å; I226-E228 PolarHBondContact O-N 2.74Å; E228-T230 VanDerWaalsContact C-N 3.32Å; E228-T230 PolarHBondContact O-N 3.46Å; E228-R231 WeakPolarHBondContact O-CB 3.45Å; E228-R231 PolarHBondContact O-N 3.35Å; E228-R231 IonicContact OE1-CZ 3.1Å; E228-R231 IonicContact OE1-NE 2.71Å; E228-R231 PolarHBondContact OE1-NE 2.82Å; E228-R231 IonicContact OE1-NH2 2.63Å; E228-R231 PolarHBondContact OE1-NH2 2.73Å; E228-R231 IonicContact OE2-CZ 3.49Å; E228-R231 IonicContact OE2-NE 2.83Å; E228-R231 PolarHBondContact OE2-NE 2.73Å; E228-R231 IonicContact OE2-NH2 3.6Å; E228-R232 WeakPolarHBondContact O-CG 3.32Å; E228-R232 PolarHBondContact O-N 3.39Å; E228-R232 VanDerWaalsContact O-N 3.08Å; E228-R232 IonicContact OE1-CZ 3.72Å; E228-R232 IonicContact OE1-NE 2.71Å; E228-R232 PolarHBondContact OE1-NE 3.33Å; E228-R232 IonicContact OE1-NH2 3.3Å; E228-R232 PolarHBondContact OE1-NH2 3.38Å
229	V	97	Very high	94.7	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-40	174.9	72	0	0	0	0	111.2	V174 I188 A190 L225 I226 R231 R232 V233	V174-V229 HydrophobicContact CG2-CB 4.01Å; V174-V229 HydrophobicContact CG2-CG2 4.15Å; I188-V229 HydrophobicContact CD1-CG1 3.66Å; I188-V229 HydrophobicContact CG1-CG1 4.16Å; I188-V229 HydrophobicContact CG2-CB 3.97Å; I188-V229 HydrophobicContact CG2-CG1 4.17Å; A190-V229 HydrophobicContact CB-CG2 3.94Å; L225-V229 PolarHBondContact O-N 2.7Å; I226-V229 VanDerWaalsContact O-CG1 3.3Å; I226-V229 WeakPolarHBondContact O-CG1 3.26Å; V229-R231 VanDerWaalsContact C-N 3.33Å; V229-R231 PolarHBondContact O-N 2.73Å; V229-R232 PolarHBondContact O-N 2.82Å; V229-V233 HydrophobicContact CG2-CG2 4.21Å; V229-V233 WeakPolarHBondContact O-CB 3.3Å; V229-V233 WeakPolarHBondContact O-CG2 3.41Å; V229-V233 PolarHBondContact O-N 2.98Å
230	T	97	Very high	95.2	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.153	18%	0.18	C	C	.	.	H	α-helix	trans	-57.2	-46.3	175.1	-56.9	0	0	0	0	111	I226 R227 E228 R232 V233 H234 Y441	I226-T230 WeakPolarHBondContact O-CB 3.41Å; I226-T230 PolarHBondContact O-N 3.11Å; I226-T230 PolarHBondContact O-OG1 3.44Å; R227-T230 PolarHBondContact O-N 2.73Å; E228-T230 VanDerWaalsContact C-N 3.32Å; E228-T230 PolarHBondContact O-N 3.46Å; T230-R232 PolarHBondContact O-N 2.91Å; T230-V233 PolarHBondContact O-N 3.19Å; T230-H234 WeakPolarHBondContact CG2-NE2 3.31Å; T230-H234 WeakPolarHBondContact O-CB 3.2Å; T230-H234 PolarHBondContact O-CD2 2.78Å; T230-H234 VanDerWaalsContact O-CD2 3.27Å; T230-H234 VanDerWaalsContact O-CG 3.24Å; T230-H234 PolarHBondContact O-N 2.97Å; T230-Y441 HydrophobicContact CG2-CE1 4.16Å
231	R	97.8	Very high	95.7	Very high	19 Å²	19	30.3 Å²	30.3	7%	0.072	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-46.4	177.2	-168.7	-169	71.2	78.2	3	112.4	R108 S109 Q110 Y112 R227 E228 V229 V233 H234 L235	R108-R231 HydrophobicContact CB-CG 4.33Å; R108-R231 VanDerWaalsContact O-CD 3.25Å; R108-R231 WeakPolarHBondContact O-CD 3.49Å; R108-R231 VanDerWaalsContact O-CG 3.31Å; R108-R231 WeakPolarHBondContact O-CG 3.13Å; R108-R231 PolarHBondContact O-NH1 3.43Å; S109-R231 PolarHBondContact O-NH1 3.34Å; Q110-R231 WeakPolarHBondContact O-CD 3.46Å; Y112-R231 HydrophobicContact CD2-CB 4.36Å; Y112-R231 HydrophobicContact CE2-CB 3.94Å; Y112-R231 HydrophobicContact CE2-CG 4.31Å; R227-R231 WeakPolarHBondContact O-CB 3.36Å; R227-R231 PolarHBondContact O-N 2.78Å; E228-R231 WeakPolarHBondContact O-CB 3.45Å; E228-R231 PolarHBondContact O-N 3.35Å; E228-R231 IonicContact OE1-CZ 3.1Å; E228-R231 IonicContact OE1-NE 2.71Å; E228-R231 PolarHBondContact OE1-NE 2.82Å; E228-R231 IonicContact OE1-NH2 2.63Å; E228-R231 PolarHBondContact OE1-NH2 2.73Å; E228-R231 IonicContact OE2-CZ 3.49Å; E228-R231 IonicContact OE2-NE 2.83Å; E228-R231 PolarHBondContact OE2-NE 2.73Å; E228-R231 IonicContact OE2-NH2 3.6Å; V229-R231 VanDerWaalsContact C-N 3.33Å; V229-R231 PolarHBondContact O-N 2.73Å; R231-V233 VanDerWaalsContact C-N 3.35Å; R231-H234 PolarHBondContact O-N 2.88Å; R231-L235 WeakPolarHBondContact O-CG 3.18Å; R231-L235 PolarHBondContact O-N 2.78Å
232	R	98	Very high	96.1	Very high	15 Å²	15	29.5 Å²	29.5	6%	0.057	15%	0.151	C	C	.	.	H	α-helix	trans	-67.8	-35.5	-179.4	-64.3	-176.1	-170.1	-165.2	-1.6	112.2	D171 W172 E228 V229 T230	D171-R232 WeakPolarHBondContact O-CD 3.31Å; D171-R232 PolarHBondContact O-NH1 3.43Å; W172-R232 PolarHBondContact NE1-O 3.06Å; E228-R232 WeakPolarHBondContact O-CG 3.32Å; E228-R232 PolarHBondContact O-N 3.39Å; E228-R232 VanDerWaalsContact O-N 3.08Å; E228-R232 IonicContact OE1-CZ 3.72Å; E228-R232 IonicContact OE1-NE 2.71Å; E228-R232 PolarHBondContact OE1-NE 3.33Å; E228-R232 IonicContact OE1-NH2 3.3Å; E228-R232 PolarHBondContact OE1-NH2 3.38Å; V229-R232 PolarHBondContact O-N 2.82Å; T230-R232 PolarHBondContact O-N 2.91Å
233	V	97.8	Very high	96.4	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-46	173.5	171.2	0	0	0	0	110.8	W172 A190 V205 V229 T230 R231 L235 R236 R238	W172-V233 HydrophobicContact CD2-CG2 4.26Å; W172-V233 HydrophobicContact CG-CG2 4.31Å; W172-V233 HydrophobicContact CZ2-CG2 4.36Å; A190-V233 HydrophobicContact CB-CG2 4.11Å; V205-V233 HydrophobicContact CB-CG1 4.43Å; V205-V233 HydrophobicContact CG1-CG1 3.8Å; V205-V233 HydrophobicContact CG1-CG2 4.23Å; V205-V233 HydrophobicContact CG2-CG1 3.7Å; V205-V233 HydrophobicContact CG2-CG2 3.99Å; V229-V233 HydrophobicContact CG2-CG2 4.21Å; V229-V233 WeakPolarHBondContact O-CB 3.3Å; V229-V233 WeakPolarHBondContact O-CG2 3.41Å; V229-V233 PolarHBondContact O-N 2.98Å; T230-V233 PolarHBondContact O-N 3.19Å; R231-V233 VanDerWaalsContact C-N 3.35Å; V233-L235 PolarHBondContact O-N 2.91Å; V233-R236 PolarHBondContact O-N 3.14Å; V233-R238 CarbonylContact C-O 3.54Å; V233-R238 HydrophobicContact CG1-CB 3.65Å; V233-R238 PolarHBondContact O-N 3.06Å
234	H	97.6	Very high	96.5	Very high	32 Å²	32	29.5 Å²	29.5	15%	0.148	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-42	175.5	-76.6	-163.4	0	0	0	112.3	I107 T230 R231 R236 G237 R238 F239	I107-H234 HydrophobicContact CD1-CB 3.98Å; I107-H234 WeakPolarHBondContact CD1-O 3.5Å; I107-H234 HydrophobicContact CG1-CB 4.27Å; I107-H234 HydrophobicContact CG2-CB 3.89Å; T230-H234 WeakPolarHBondContact CG2-NE2 3.31Å; T230-H234 WeakPolarHBondContact O-CB 3.2Å; T230-H234 PolarHBondContact O-CD2 2.78Å; T230-H234 VanDerWaalsContact O-CD2 3.27Å; T230-H234 VanDerWaalsContact O-CG 3.24Å; T230-H234 PolarHBondContact O-N 2.97Å; R231-H234 PolarHBondContact O-N 2.88Å; H234-R236 PolarHBondContact O-N 3.49Å; H234-R236 VanDerWaalsContact O-N 3.11Å; H234-G237 PolarHBondContact O-N 2.75Å; H234-R238 WeakPolarHBondContact CA-O 3.42Å; H234-R238 PolarHBondContact CD2-O 2.72Å; H234-R238 VanDerWaalsContact CD2-O 3.23Å; H234-R238 PolarHBondContact N-O 3.06Å; H234-F239 HydrophobicContact CB-CD1 4.49Å; H234-F239 HydrophobicContact CB-CE1 4.23Å; H234-F239 AromaticContact CD2-CD1 3.82Å; H234-F239 AromaticContact CG-CD1 3.91Å; H234-F239 AromaticContact NE2-CD1 3.97Å
235	L	97	Very high	96.4	Very high	47 Å²	47	29 Å²	29	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-58.5	-24.9	175.7	-79.3	175.8	0	0	0	113.3	H104 I107 R231 V233	H104-L235 PolarHBondContact CE1-O 2.83Å; H104-L235 VanDerWaalsContact CE1-O 3.25Å; H104-L235 PolarHBondContact ND1-O 2.79Å; I107-L235 HydrophobicContact CB-CD2 4.17Å; I107-L235 HydrophobicContact CG2-CD2 3.7Å; I107-L235 HydrophobicContact CG2-CG 3.8Å; R231-L235 WeakPolarHBondContact O-CG 3.18Å; R231-L235 PolarHBondContact O-N 2.78Å; V233-L235 PolarHBondContact O-N 2.91Å
236	R	95.7	Very high	96.1	Very high	113 Å²	113	29.5 Å²	29.5	43%	0.426	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	11.4	174.9	-67.2	-166.7	173.4	-98	0.3	113.8	H169 D171 W172 V233 H234	H169-R236 WeakPolarHBondContact CD2-CD 3.49Å; H169-R236 PolarHBondContact CE1-NH1 2.99Å; H169-R236 VanDerWaalsContact CG-CZ 3.46Å; H169-R236 PolarHBondContact ND1-NH1 3Å; H169-R236 PolarHBondContact NE2-NH1 3.41Å; D171-R236 IonicContact OD1-CZ 3.88Å; D171-R236 VanDerWaalsContact OD1-CZ 3.3Å; D171-R236 IonicContact OD1-NE 2.79Å; D171-R236 PolarHBondContact OD1-NE 2.77Å; D171-R236 VanDerWaalsContact OD1-NE 3.11Å; D171-R236 IonicContact OD1-NH2 3.55Å; D171-R236 PolarHBondContact OD1-NH2 2.79Å; D171-R236 IonicContact OD2-CZ 2.72Å; D171-R236 IonicContact OD2-NE 3.53Å; D171-R236 PolarHBondContact OD2-NE 2.88Å; D171-R236 IonicContact OD2-NH2 2.75Å; W172-R236 HydrophobicContact CZ2-CB 4.01Å; W172-R236 HydrophobicContact CZ2-CG 4.39Å; V233-R236 PolarHBondContact O-N 3.14Å; H234-R236 PolarHBondContact O-N 3.49Å; H234-R236 VanDerWaalsContact O-N 3.11Å
237	G	95.8	Very high	95.6	Very high	43 Å²	43	30.8 Å²	30.8	44%	0.443	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	23.9	175.7	0	0	0	0	0	114.2	H234	H234-G237 PolarHBondContact O-N 2.75Å
238	R	96.4	Very high	95.3	Very high	78 Å²	78	30.2 Å²	30.2	29%	0.294	16%	0.161	S	C	.	.			trans	-110.2	134.7	171.8	-57.7	-59.8	-166.4	-161.1	7.8	108.6	W172 Q203 V205 V233 H234	W172-R238 HydrophobicContact CH2-CG 4.3Å; W172-R238 HydrophobicContact CZ2-CG 4.37Å; Q203-R238 VanDerWaalsContact CB-CZ 3.42Å; V205-R238 HydrophobicContact CG1-CB 4.37Å; V205-R238 HydrophobicContact CG1-CG 4.43Å; V233-R238 CarbonylContact C-O 3.54Å; V233-R238 HydrophobicContact CG1-CB 3.65Å; V233-R238 PolarHBondContact O-N 3.06Å; H234-R238 WeakPolarHBondContact CA-O 3.42Å; H234-R238 PolarHBondContact CD2-O 2.72Å; H234-R238 VanDerWaalsContact CD2-O 3.23Å; H234-R238 PolarHBondContact N-O 3.06Å
239	F	97.4	Very high	95	Very high	16 Å²	16	31.5 Å²	31.5	7%	0.07	17%	0.167	C	C	.	.			trans	-128.7	0.4	-170.8	-63.1	-81.7	0	0	0	114.2	D101 S102 I107 H234 N442	D101-F239 HydrophobicContact CB-CD1 4.48Å; D101-F239 HydrophobicContact CB-CD2 3.55Å; D101-F239 HydrophobicContact CB-CE2 3.7Å; D101-F239 HydrophobicContact CB-CG 3.98Å; D101-F239 HydrophobicContact CB-CZ 4.23Å; D101-F239 WeakPolarHBondContact OD1-CB 3.3Å; S102-F239 WeakPolarHBondContact O-CZ 3.3Å; I107-F239 HydrophobicContact CD1-CE1 3.97Å; I107-F239 HydrophobicContact CD1-CZ 4.07Å; H234-F239 HydrophobicContact CB-CD1 4.49Å; H234-F239 HydrophobicContact CB-CE1 4.23Å; H234-F239 AromaticContact CD2-CD1 3.82Å; H234-F239 AromaticContact CG-CD1 3.91Å; H234-F239 AromaticContact NE2-CD1 3.97Å; F239-N442 VanDerWaalsContact O-CB 3.23Å; F239-N442 WeakPolarHBondContact O-CB 3.4Å; F239-N442 PolarHBondContact O-ND2 2.85Å; F239-N442 VanDerWaalsContact O-ND2 3.16Å
240	Q	98.1	Very high	94.6	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	17%	0.166	C	C	.	.			trans	-125.3	155.4	177.9	-68.7	74.9	36	0	0	109.3	D101 L204 V205 Y441 N442 W443	D101-Q240 PolarHBondContact OD1-NE2 2.8Å; L204-Q240 HydrophobicContact CB-CB 3.94Å; L204-Q240 WeakPolarHBondContact CB-O 3.46Å; L204-Q240 HydrophobicContact CD2-CB 4.41Å; V205-Q240 PolarHBondContact N-O 3.08Å; Q240-Y441 WeakPolarHBondContact CA-O 3.44Å; Q240-N442 HydrophobicContact CG-CB 4.41Å; Q240-N442 WeakPolarHBondContact CG-O 3.25Å; Q240-N442 PolarHBondContact NE2-ND2 2.63Å; Q240-W443 HydrophobicContact CG-CB 4.5Å; Q240-W443 HydrophobicContact CG-CE3 3.92Å
241	A	97.8	Very high	94.4	Very high	9 Å²	9	32.6 Å²	32.6	7%	0.074	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	150.5	174.8	0	0	0	0	0	111.8	V205 V207 L440 Y441	V205-A241 HydrophobicContact CG2-CB 3.69Å; V205-A241 CarbonylContact O-C 3.54Å; V205-A241 WeakPolarHBondContact O-CA 3.22Å; V205-A241 WeakPolarHBondContact O-CB 3.47Å; V207-A241 HydrophobicContact CG2-CB 3.94Å; A241-L440 CarbonylContact O-C 3.43Å; A241-L440 VanDerWaalsContact O-CA 3.3Å; A241-L440 WeakPolarHBondContact O-CA 2.87Å; A241-Y441 PolarHBondContact N-O 2.86Å; A241-Y441 PolarHBondContact O-N 2.92Å
242	L	97.3	Very high	94.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.1	169.1	172.5	67.4	0	0	0	108.8	L195 L204 V205 E206 V207 Y438 Y439 L440 I455 L457	L195-L242 HydrophobicContact CD1-CD2 4.26Å; L195-L242 HydrophobicContact CD2-CD2 4.16Å; L204-L242 HydrophobicContact CD1-CB 3.96Å; V205-L242 PolarHBondContact O-N 2.86Å; E206-L242 CarbonylContact C-O 3.49Å; E206-L242 WeakPolarHBondContact CA-O 3.33Å; E206-L242 HydrophobicContact CG-CB 4.26Å; E206-L242 HydrophobicContact CG-CD2 4.05Å; E206-L242 HydrophobicContact CG-CG 4.47Å; V207-L242 PolarHBondContact N-O 3.5Å; L242-Y438 HydrophobicContact CD1-CD1 4.41Å; L242-Y439 WeakPolarHBondContact CA-O 3.38Å; L242-Y439 WeakPolarHBondContact CD1-O 3.44Å; L242-L440 HydrophobicContact CB-CD2 4.11Å; L242-L440 HydrophobicContact CD1-CD2 3.8Å; L242-I455 HydrophobicContact CD1-CD1 4.44Å; L242-I455 HydrophobicContact CD2-CD1 3.63Å; L242-I455 HydrophobicContact CD2-CG2 3.91Å; L242-L457 HydrophobicContact CD2-CD1 4.43Å; L242-L457 HydrophobicContact CD2-CD2 4.02Å; L242-L457 HydrophobicContact CG-CD1 4.21Å
243	F	96.4	Very high	94.2	Very high	26 Å²	26	32.4 Å²	32.4	11%	0.114	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	160.8	172.7	62.8	-81.1	0	0	0	111	W80 V207 L249 Y439	W80-F243 HydrophobicContact CH2-CE1 4.5Å; W80-F243 HydrophobicContact CH2-CE2 4.04Å; W80-F243 AromaticContact CH2-CZ 3.66Å; W80-F243 HydrophobicContact CH2-CZ 3.66Å; W80-F243 HydrophobicContact CZ3-CZ 4.07Å; V207-F243 HydrophobicContact CB-CB 4.25Å; F243-L249 HydrophobicContact CE2-CD1 4.21Å; F243-Y439 AromaticContact CD2-CD2 3.76Å; F243-Y439 HydrophobicContact CD2-CD2 3.76Å; F243-Y439 HydrophobicContact CD2-CG 4.06Å; F243-Y439 VanDerWaalsContact CE1-CB 3.43Å; F243-Y439 HydrophobicContact CE1-CG 4.39Å; F243-Y439 HydrophobicContact CE2-CD1 4.33Å; F243-Y439 AromaticContact CE2-CD2 3.51Å; F243-Y439 HydrophobicContact CE2-CD2 3.51Å; F243-Y439 HydrophobicContact CE2-CE2 4.37Å; F243-Y439 AromaticContact CE2-CG 3.48Å; F243-Y439 HydrophobicContact CE2-CG 3.48Å; F243-Y439 VanDerWaalsContact CE2-CG 3.48Å; F243-Y439 HydrophobicContact CZ-CD1 4.33Å; F243-Y439 HydrophobicContact CZ-CD2 4.2Å; F243-Y439 AromaticContact CZ-CG 3.68Å; F243-Y439 HydrophobicContact CZ-CG 3.68Å; F243-Y439 PolarHBondContact N-O 3.35Å; F243-Y439 PolarHBondContact O-N 3.25Å
244	T	94.9	Very high	94.2	Very high	35 Å²	35	32 Å²	32	22%	0.215	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154.4	174.5	51	0	0	0	0	111.6	L436 H437 Y438 L457	T244-L436 HydrophobicContact CG2-CD1 4.44Å; T244-L436 HydrophobicContact CG2-CD2 4.04Å; T244-L436 HydrophobicContact CG2-CG 4.07Å; T244-H437 CarbonylContact C-O 3.57Å; T244-H437 WeakPolarHBondContact CA-O 3.33Å; T244-H437 WeakPolarHBondContact CB-O 3.22Å; T244-Y438 HydrophobicContact CG2-CD1 3.68Å; T244-Y438 HydrophobicContact CG2-CD2 4.09Å; T244-Y438 HydrophobicContact CG2-CE1 3.77Å; T244-Y438 HydrophobicContact CG2-CE2 4.14Å; T244-Y438 HydrophobicContact CG2-CG 3.85Å; T244-L457 HydrophobicContact CG2-CD1 3.59Å; T244-L457 HydrophobicContact CG2-CG 4.16Å
245	S	90	Very high	94.1	Very high	16 Å²	16	34.5 Å²	34.5	11%	0.112	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.7	170.7	-168.5	0	0	0	0	111.3	T247 H437	S245-T247 PolarHBondContact O-N 3.03Å; S245-T247 PolarHBondContact OG-N 2.85Å; S245-T247 VanDerWaalsContact OG-N 3.13Å; S245-T247 PolarHBondContact OG-OG1 2.96Å; S245-H437 PolarHBondContact N-O 3.45Å; S245-H437 WeakPolarHBondContact O-CB 3.21Å; S245-H437 PolarHBondContact O-N 2.98Å; S245-H437 PolarHBondContact O-ND1 3.02Å
246	G	87.3	Confident	94.1	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	17%	0.169	C	C	.	.	S	Bend	trans	-68.3	-21.8	165.7	0	0	0	0	0	113.9
247	T	85	Confident	94	Very high	51 Å²	51	30.3 Å²	30.3	31%	0.313	16%	0.162	S	C	.	.	S	Bend	trans	-96.6	149.2	179.2	58.6	0	0	0	0	111.6	V59 S245 Y439	V59-T247 HydrophobicContact CB-CG2 3.98Å; V59-T247 WeakPolarHBondContact O-CG2 3.48Å; S245-T247 PolarHBondContact O-N 3.03Å; S245-T247 PolarHBondContact OG-N 2.85Å; S245-T247 VanDerWaalsContact OG-N 3.13Å; S245-T247 PolarHBondContact OG-OG1 2.96Å; T247-Y439 PolarHBondContact O-OH 2.71Å
248	L	89.9	Confident	93.9	Very high	82 Å²	82	29.2 Å²	29.2	43%	0.429	14%	0.144	S	C	.	.			trans	-78.4	120.3	176.8	-176.4	65.1	0	0	0	111.7	Y77 L88 P252 Y439	Y77-L248 PolarHBondContact OH-O 3.3Å; L88-L248 HydrophobicContact CD2-CD1 4.39Å; L88-L248 HydrophobicContact CD2-CG 4.47Å; L248-P252 HydrophobicContact CD1-CG 3.83Å; L248-Y439 WeakPolarHBondContact CA-OH 3.39Å
249	L	90.3	Very high	93.9	Very high	27 Å²	27	26.8 Å²	26.8	14%	0.141	14%	0.135	C	C	.	.			trans	-123.1	159.6	177.8	-54.8	174.3	0	0	0	110.3	Y77 W80 F243 K251 P252 Y439	Y77-L249 HydrophobicContact CE1-CD2 4.29Å; W80-L249 HydrophobicContact CZ2-CD1 3.8Å; F243-L249 HydrophobicContact CE2-CD1 4.21Å; L249-K251 WeakPolarHBondContact O-CA 3.45Å; L249-P252 VanDerWaalsContact O-CD 3.3Å; L249-P252 WeakPolarHBondContact O-CD 3.45Å; L249-Y439 HydrophobicContact CB-CD1 4.48Å; L249-Y439 HydrophobicContact CB-CE1 3.76Å; L249-Y439 PolarHBondContact N-OH 3.02Å; L249-Y439 VanDerWaalsContact O-CE1 3.28Å; L249-Y439 WeakPolarHBondContact O-CE1 3.44Å
250	P	90.1	Very high	93.8	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	S	Bend	trans	-75.8	124.4	174.5	-17.2	32.4	0	0	0	112.5	K74 Y77 W80 V85 L88	K74-P250 HydrophobicContact CB-CB 4.36Å; K74-P250 HydrophobicContact CB-CG 4.45Å; K74-P250 HydrophobicContact CG-CB 3.95Å; K74-P250 HydrophobicContact CG-CG 4.13Å; Y77-P250 HydrophobicContact CD1-CG 4.3Å; Y77-P250 HydrophobicContact CD2-CG 3.46Å; Y77-P250 VanDerWaalsContact CD2-CG 3.46Å; Y77-P250 HydrophobicContact CE2-CG 3.75Å; Y77-P250 HydrophobicContact CG-CG 3.77Å; W80-P250 HydrophobicContact CB-CG 4.18Å; V85-P250 WeakPolarHBondContact CB-O 3.42Å; V85-P250 VanDerWaalsContact CG2-O 3.22Å; V85-P250 WeakPolarHBondContact CG2-O 3.38Å; L88-P250 HydrophobicContact CD1-CG 4.34Å; L88-P250 HydrophobicContact CD2-CB 4.48Å; L88-P250 HydrophobicContact CG-CB 4.05Å; L88-P250 HydrophobicContact CG-CG 4.19Å
251	K	92.4	Very high	93.8	Very high	52 Å²	52	27 Å²	27	23%	0.226	14%	0.136	C	C	.	.			cis	-119.3	140.6	-25	-179.7	-172.4	-174.9	178.5	0	107.5	P86 D87 L88 E90 L249 Y439	P86-K251 HydrophobicContact CB-CB 4.23Å; D87-K251 WeakPolarHBondContact O-CD 3.19Å; L88-K251 HydrophobicContact CD2-CB 4.42Å; L88-K251 HydrophobicContact CD2-CG 4.36Å; E90-K251 PolarHBondContact O-NZ 2.86Å; L249-K251 WeakPolarHBondContact O-CA 3.45Å; K251-Y439 WeakPolarHBondContact O-CD1 3.3Å
252	P	95.1	Very high	93.8	Very high	16 Å²	16	27.2 Å²	27.2	10%	0.104	14%	0.137	C	C	.	.			trans	-67.9	139.6	175.4	29.2	-35.9	0	0	0	111.7	L248 L249 H437 Y438 Y439	L248-P252 HydrophobicContact CD1-CG 3.83Å; L249-P252 VanDerWaalsContact O-CD 3.3Å; L249-P252 WeakPolarHBondContact O-CD 3.45Å; P252-H437 HydrophobicContact CB-CB 4.07Å; P252-Y438 CarbonylContact C-O 3.58Å; P252-Y438 WeakPolarHBondContact CA-O 3.47Å; P252-Y439 HydrophobicContact CB-CD1 4.22Å; P252-Y439 HydrophobicContact CB-CE1 3.72Å; P252-Y439 HydrophobicContact CG-CE1 4.35Å
253	V	96.5	Very high	93.8	Very high	13 Å²	13	27.8 Å²	27.8	8%	0.079	14%	0.14	C	C	.	.	S	Bend	trans	-82.2	-24.2	170.9	-58.8	0	0	0	0	111.6	I324 Y438 L440 F447 T448	V253-I324 HydrophobicContact CG2-CD1 4.33Å; V253-Y438 WeakPolarHBondContact CG2-O 3.39Å; V253-Y438 PolarHBondContact N-O 2.88Å; V253-L440 HydrophobicContact CG1-CB 4.31Å; V253-L440 HydrophobicContact CG1-CD1 4.11Å; V253-L440 HydrophobicContact CG1-CG 4.09Å; V253-L440 HydrophobicContact CG2-CG 4.38Å; V253-F447 WeakPolarHBondContact O-CA 3.37Å; V253-T448 PolarHBondContact O-N 3.36Å
254	S	96.7	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.6	172	-165.4	0	0	0	0	111.2	Y438 T448 I453	S254-Y438 PolarHBondContact O-N 3.4Å; S254-T448 VanDerWaalsContact CB-O 3.25Å; S254-T448 WeakPolarHBondContact CB-O 3.3Å; S254-T448 PolarHBondContact OG-O 3.37Å; S254-I453 VanDerWaalsContact CB-CG1 3.47Å; S254-I453 VanDerWaalsContact OG-CG1 3.32Å; S254-I453 WeakPolarHBondContact OG-CG1 3.23Å
255	K	95.7	Very high	93.7	Very high	83 Å²	83	28.3 Å²	28.3	36%	0.361	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	109.1	-179.7	177	-170.3	176.6	177.9	0	108.9	D435 F447 P450	K255-D435 WeakPolarHBondContact CE-OD1 3.46Å; K255-D435 WeakPolarHBondContact CE-OD2 3.38Å; K255-D435 HydrophobicContact CG-CB 4.3Å; K255-D435 VanDerWaalsContact NZ-CG 3.34Å; K255-D435 IonicContact NZ-OD1 3.58Å; K255-D435 IonicContact NZ-OD2 2.7Å; K255-D435 PolarHBondContact NZ-OD2 3.17Å; K255-F447 HydrophobicContact CB-CZ 4.39Å; K255-P450 VanDerWaalsContact O-CG 3.26Å; K255-P450 WeakPolarHBondContact O-CG 3.45Å
256	C	96.5	Very high	93.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	152.6	177.5	-54.9	0	0	0	0	110.2	L415 D416 D435 L436 Y438	C256-L415 HydrophobicContact CB-CB 4.31Å; C256-L415 HydrophobicContact CB-CD2 4.01Å; C256-D416 WeakPolarHBondContact CA-OD1 3.34Å; C256-D416 VanDerWaalsContact CB-OD1 3.31Å; C256-D416 WeakPolarHBondContact CB-OD1 3.21Å; C256-D435 CarbonylContact O-C 3.58Å; C256-D435 WeakPolarHBondContact O-CA 3.42Å; C256-L436 PolarHBondContact N-O 2.9Å; C256-L436 PolarHBondContact O-N 2.83Å; C256-Y438 HydrophobicContact CB-CE2 4.21Å
257	R	94.8	Very high	94.2	Very high	72 Å²	72	34.9 Å²	34.9	27%	0.272	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.4	178.5	175.2	56.3	66.5	88.5	5.1	110.5	W259 L415 D416 I431 G432 G434 D435	R257-W259 VanDerWaalsContact O-CD1 3.32Å; R257-L415 CarbonylContact O-C 3.44Å; R257-L415 WeakPolarHBondContact O-CA 3.32Å; R257-D416 WeakPolarHBondContact CB-OD2 3.23Å; R257-D416 PolarHBondContact N-OD1 3.08Å; R257-D416 PolarHBondContact N-OD2 3.26Å; R257-D416 PolarHBondContact O-N 3.4Å; R257-I431 HydrophobicContact CG-CG2 4.1Å; R257-G432 VanDerWaalsContact CD-O 3.32Å; R257-G432 WeakPolarHBondContact CD-O 3.49Å; R257-G432 PolarHBondContact NH1-O 2.96Å; R257-G432 VanDerWaalsContact NH1-O 3.07Å; R257-G434 WeakPolarHBondContact CD-O 3.45Å; R257-D435 IonicContact CZ-OD1 3.46Å; R257-D435 VanDerWaalsContact CZ-OD1 3.26Å; R257-D435 IonicContact NE-OD1 2.79Å; R257-D435 PolarHBondContact NE-OD1 2.93Å; R257-D435 IonicContact NH2-OD1 3.14Å; R257-D435 PolarHBondContact NH2-OD1 3.21Å; R257-D435 IonicContact NH2-OD2 3.56Å
258	Y	93.8	Very high	94.6	Very high	20 Å²	20	32.5 Å²	32.5	8%	0.078	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	144.6	169.5	-79.9	-69.7	0	0	0	112.7	M57 Y382 A414 L415 G432 G434 L436	M57-Y258 HydrophobicContact CB-CD2 4.26Å; M57-Y258 HydrophobicContact CB-CE2 3.9Å; M57-Y258 HydrophobicContact CE-CD1 3.46Å; M57-Y258 VanDerWaalsContact CE-CD1 3.46Å; M57-Y258 HydrophobicContact CE-CD2 4.35Å; M57-Y258 HydrophobicContact CE-CE1 3.52Å; M57-Y258 HydrophobicContact CE-CE2 4.4Å; M57-Y258 HydrophobicContact CE-CG 3.9Å; M57-Y258 HydrophobicContact CG-CE2 4.28Å; M57-Y258 HydrophobicContact SD-CD1 3.8Å; M57-Y258 HydrophobicContact SD-CD2 3.99Å; M57-Y258 HydrophobicContact SD-CE1 3.31Å; M57-Y258 WeakPolarHBondContact SD-CE1 3.34Å; M57-Y258 HydrophobicContact SD-CE2 3.52Å; M57-Y258 VanDerWaalsContact SD-CE2 3.52Å; M57-Y258 HydrophobicContact SD-CG 4.11Å; M57-Y258 PolarHBondContact SD-OH 3.38Å; Y258-Y382 HydrophobicContact CE1-CE1 4.3Å; Y258-A414 CarbonylContact C-O 3.53Å; Y258-L415 HydrophobicContact CD1-CD2 3.54Å; Y258-L415 HydrophobicContact CD1-CG 3.97Å; Y258-L415 HydrophobicContact CD2-CD2 4.01Å; Y258-L415 HydrophobicContact CE1-CD1 4.33Å; Y258-L415 HydrophobicContact CE1-CD2 3.58Å; Y258-L415 HydrophobicContact CE1-CG 3.79Å; Y258-L415 HydrophobicContact CE2-CD2 4.06Å; Y258-L415 HydrophobicContact CG-CD2 3.76Å; Y258-G432 VanDerWaalsContact O-CA 3.28Å; Y258-G432 WeakPolarHBondContact O-CA 3.45Å; Y258-G432 PolarHBondContact O-N 2.63Å; Y258-G434 WeakPolarHBondContact CD2-O 3.14Å; Y258-G434 PolarHBondContact N-O 3.47Å; Y258-L436 HydrophobicContact CE2-CB 3.98Å; Y258-L436 HydrophobicContact CE2-CD1 4.4Å
259	W	96.6	Very high	94.6	Very high	27 Å²	27	31 Å²	31	10%	0.102	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.5	174.8	-71.7	74.6	0	0	0	109.7	R257 N413 A414 L424 E425 F429 G430 I431	R257-W259 VanDerWaalsContact O-CD1 3.32Å; W259-N413 WeakPolarHBondContact O-CA 3.26Å; W259-A414 PolarHBondContact N-O 3.17Å; W259-A414 PolarHBondContact O-N 3.37Å; W259-L424 HydrophobicContact CB-CD2 3.71Å; W259-L424 HydrophobicContact CD2-CB 4.29Å; W259-L424 HydrophobicContact CD2-CD1 3.91Å; W259-L424 HydrophobicContact CD2-CD2 4.19Å; W259-L424 HydrophobicContact CD2-CG 4.35Å; W259-L424 HydrophobicContact CE3-CB 4.04Å; W259-L424 HydrophobicContact CE3-CD2 4.43Å; W259-L424 HydrophobicContact CG-CD1 3.94Å; W259-L424 HydrophobicContact CG-CD2 3.92Å; W259-L424 HydrophobicContact CG-CG 4.44Å; W259-L424 HydrophobicContact CZ2-CD1 4.38Å; W259-L424 HydrophobicContact CZ3-CB 4.16Å; W259-E425 HydrophobicContact CH2-CG 4.11Å; W259-E425 HydrophobicContact CZ3-CG 4.27Å; W259-F429 HydrophobicContact CB-CB 4.16Å; W259-F429 HydrophobicContact CB-CD1 4.15Å; W259-F429 HydrophobicContact CE3-CB 3.8Å; W259-F429 WeakPolarHBondContact CZ3-O 3.45Å; W259-G430 CarbonylContact C-O 3.57Å; W259-G430 VanDerWaalsContact CA-O 3.28Å; W259-G430 WeakPolarHBondContact CA-O 3.35Å; W259-I431 HydrophobicContact CD2-CG1 3.88Å; W259-I431 HydrophobicContact CE3-CB 4.5Å; W259-I431 HydrophobicContact CE3-CG1 3.78Å; W259-I431 HydrophobicContact CH2-CD1 3.72Å; W259-I431 HydrophobicContact CH2-CG1 3.23Å; W259-I431 HydrophobicContact CZ2-CD1 3.89Å; W259-I431 HydrophobicContact CZ2-CG1 3.29Å; W259-I431 HydrophobicContact CZ3-CD1 4.31Å; W259-I431 HydrophobicContact CZ3-CG1 3.47Å; W259-I431 VanDerWaalsContact CZ3-CG1 3.47Å
260	H	95.6	Very high	94.6	Very high	19 Å²	19	33.3 Å²	33.3	9%	0.088	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.6	-171.8	-52.3	-70.1	0	0	0	111.2	F273 V411 N413 F429 G430	H260-F273 HydrophobicContact CB-CE1 4.45Å; H260-V411 HydrophobicContact CB-CG2 4.14Å; H260-N413 PolarHBondContact ND1-OD1 3.28Å; H260-F429 WeakPolarHBondContact O-CA 3.21Å; H260-G430 PolarHBondContact N-O 2.82Å; H260-G430 PolarHBondContact O-N 2.98Å
261	R	97.3	Very high	94.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.9	174.9	-177.2	62	-178.5	76.5	7.7	111	L263 Y289 L401 F412 L427 K428 F429	R261-L263 PolarHBondContact O-N 2.89Å; R261-Y289 VanDerWaalsContact NH1-CB 3.31Å; R261-Y289 VanDerWaalsContact NH1-CG 3.33Å; R261-Y289 PolarHBondContact NH2-O 3.4Å; R261-Y289 VanDerWaalsContact NH2-O 3.08Å; R261-L401 HydrophobicContact CB-CD2 4.36Å; R261-L401 HydrophobicContact CG-CD1 4.03Å; R261-L401 HydrophobicContact CG-CD2 4Å; R261-F412 HydrophobicContact CB-CB 4.23Å; R261-F412 PolarHBondContact N-O 3.11Å; R261-F412 PolarHBondContact O-N 3.43Å; R261-L427 WeakPolarHBondContact CD-O 3.45Å; R261-L427 PolarHBondContact NE-O 2.9Å; R261-K428 WeakPolarHBondContact CD-O 3.47Å; R261-F429 HydrophobicContact CB-CD1 3.57Å; R261-F429 HydrophobicContact CB-CD2 3.94Å; R261-F429 HydrophobicContact CB-CE1 3.5Å; R261-F429 HydrophobicContact CB-CE2 3.87Å; R261-F429 HydrophobicContact CB-CG 3.79Å; R261-F429 HydrophobicContact CB-CZ 3.66Å; R261-F429 HydrophobicContact CG-CD2 4.24Å; R261-F429 HydrophobicContact CG-CE2 4.08Å; R261-F429 HydrophobicContact CG-CZ 4.24Å
262	P	96.5	Very high	94.1	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.091	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	116.3	179.5	-30.2	39.5	0	0	0	113.7	P265 L268 Y289	P262-P265 HydrophobicContact CB-CG 4.04Å; P262-L268 HydrophobicContact CB-CD1 3.56Å; P262-L268 HydrophobicContact CG-CD1 4.16Å; P262-Y289 HydrophobicContact CB-CD2 3.78Å; P262-Y289 HydrophobicContact CB-CE2 3.92Å; P262-Y289 HydrophobicContact CB-CG 4.13Å; P262-Y289 HydrophobicContact CG-CD2 4.09Å; P262-Y289 HydrophobicContact CG-CE1 4.3Å; P262-Y289 HydrophobicContact CG-CE2 3.7Å
263	L	97.5	Very high	93.6	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.068	15%	0.151	C	C	.	.	S	Bend	trans	-95.9	-31.1	173.9	-59	-179.6	0	0	0	111.8	R261 L291 L401 A404 F409 D410 F412	R261-L263 PolarHBondContact O-N 2.89Å; L263-L291 HydrophobicContact CD2-CD1 3.73Å; L263-L401 HydrophobicContact CD2-CB 4.46Å; L263-L401 HydrophobicContact CD2-CD2 4.29Å; L263-A404 HydrophobicContact CD1-CB 3.81Å; L263-F409 WeakPolarHBondContact CB-O 3.32Å; L263-F409 HydrophobicContact CD1-CB 3.72Å; L263-D410 CarbonylContact C-O 3.54Å; L263-D410 WeakPolarHBondContact CA-O 2.97Å; L263-D410 WeakPolarHBondContact CB-O 3.46Å; L263-D410 PolarHBondContact N-O 3Å; L263-F412 HydrophobicContact CD1-CB 4.11Å; L263-F412 HydrophobicContact CG-CB 4.32Å
264	N	96.1	Very high	93	Very high	59 Å²	59	32.8 Å²	32.8	32%	0.316	16%	0.156	S	C	.	.	S	Bend	trans	-127.3	74.1	175.7	-170.7	-3.7	0	0	0	111.3	R266 K267 L268 D410	N264-R266 PolarHBondContact O-N 3.2Å; N264-R266 VanDerWaalsContact O-N 3.1Å; N264-K267 HydrophobicContact CB-CB 4.35Å; N264-K267 VanDerWaalsContact ND2-CB 3.34Å; N264-K267 WeakPolarHBondContact ND2-CB 3.48Å; N264-K267 PolarHBondContact O-N 3.17Å; N264-K267 VanDerWaalsContact O-N 3.16Å; N264-K267 PolarHBondContact OD1-N 2.92Å; N264-L268 WeakPolarHBondContact O-CG 3.47Å; N264-L268 PolarHBondContact O-N 3.19Å; N264-D410 HydrophobicContact CB-CB 4.11Å; N264-D410 WeakPolarHBondContact CB-OD1 3.48Å; N264-D410 PolarHBondContact N-O 3.48Å; N264-D410 PolarHBondContact ND2-OD1 3.14Å
265	P	94	Very high	92.2	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-28.9	-173.1	-24.9	34	0	0	0	114.7	P262 L269 T285 I286 Y289	P262-P265 HydrophobicContact CB-CG 4.04Å; P265-L269 WeakPolarHBondContact O-CB 3.43Å; P265-L269 PolarHBondContact O-N 3.13Å; P265-T285 HydrophobicContact CB-CG2 3.85Å; P265-T285 HydrophobicContact CG-CG2 4.48Å; P265-I286 HydrophobicContact CB-CG1 4.37Å; P265-Y289 HydrophobicContact CB-CD2 4.4Å; P265-Y289 HydrophobicContact CG-CD2 3.79Å; P265-Y289 HydrophobicContact CG-CG 4.33Å
266	R	94.3	Very high	91.6	Very high	132 Å²	132	35.6 Å²	35.6	50%	0.498	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-54.3	176.5	177.5	179.7	-65.2	-136	2.7	110.9	N264 L268 L269 E270 L282 I286	N264-R266 PolarHBondContact O-N 3.2Å; N264-R266 VanDerWaalsContact O-N 3.1Å; R266-L268 VanDerWaalsContact C-N 3.31Å; R266-L268 PolarHBondContact O-N 3.39Å; R266-L269 PolarHBondContact O-N 3Å; R266-E270 WeakPolarHBondContact CD-OE1 3.37Å; R266-E270 HydrophobicContact CG-CG 4.47Å; R266-E270 WeakPolarHBondContact CG-OE1 3.37Å; R266-E270 WeakPolarHBondContact O-CG 3.14Å; R266-E270 PolarHBondContact O-N 3.08Å; R266-L282 HydrophobicContact CB-CD1 4.22Å; R266-L282 HydrophobicContact CG-CD2 4.29Å; R266-I286 HydrophobicContact CB-CD1 4.47Å
267	K	94.1	Very high	90.8	Very high	34 Å²	34	39.3 Å²	39.3	15%	0.148	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-39.1	179.7	-177.8	167	170.4	-156.8	0	111.6	N264 L269 E270 C271 H375 S377 D410	N264-K267 HydrophobicContact CB-CB 4.35Å; N264-K267 VanDerWaalsContact ND2-CB 3.34Å; N264-K267 WeakPolarHBondContact ND2-CB 3.48Å; N264-K267 PolarHBondContact O-N 3.17Å; N264-K267 VanDerWaalsContact O-N 3.16Å; N264-K267 PolarHBondContact OD1-N 2.92Å; K267-L269 VanDerWaalsContact C-N 3.3Å; K267-L269 PolarHBondContact O-N 2.87Å; K267-E270 PolarHBondContact O-N 3.46Å; K267-C271 WeakPolarHBondContact O-CB 3.42Å; K267-C271 PolarHBondContact O-N 2.72Å; K267-C271 PolarHBondContact O-SG 2.73Å; K267-H375 WeakPolarHBondContact CE-ND1 3.4Å; K267-S377 WeakPolarHBondContact CE-O 3.36Å; K267-S377 PolarHBondContact NZ-O 2.97Å; K267-D410 WeakPolarHBondContact CD-OD1 3.34Å; K267-D410 WeakPolarHBondContact CE-OD2 3.39Å; K267-D410 IonicContact NZ-OD1 3.48Å; K267-D410 IonicContact NZ-OD2 2.65Å; K267-D410 PolarHBondContact NZ-OD2 2.96Å
268	L	92.6	Very high	89.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.3	-39.3	175.9	-65.9	169.4	0	0	0	112.3	P262 N264 R266 G272 F273 S274 L378 D410 V411	P262-L268 HydrophobicContact CB-CD1 3.56Å; P262-L268 HydrophobicContact CG-CD1 4.16Å; N264-L268 WeakPolarHBondContact O-CG 3.47Å; N264-L268 PolarHBondContact O-N 3.19Å; R266-L268 VanDerWaalsContact C-N 3.31Å; R266-L268 PolarHBondContact O-N 3.39Å; L268-G272 PolarHBondContact O-N 3.04Å; L268-F273 HydrophobicContact CB-CB 4.26Å; L268-F273 HydrophobicContact CB-CD1 4.36Å; L268-F273 HydrophobicContact CD2-CB 3.92Å; L268-F273 HydrophobicContact CD2-CD1 3.51Å; L268-F273 HydrophobicContact CD2-CD2 4.29Å; L268-F273 HydrophobicContact CD2-CE1 4.03Å; L268-F273 HydrophobicContact CD2-CG 3.66Å; L268-F273 HydrophobicContact CG-CD1 4.36Å; L268-F273 WeakPolarHBondContact O-CB 3.31Å; L268-F273 PolarHBondContact O-N 3.14Å; L268-S274 WeakPolarHBondContact CB-OG 3.41Å; L268-S274 PolarHBondContact O-N 2.85Å; L268-L378 HydrophobicContact CD2-CD1 3.55Å; L268-L378 HydrophobicContact CD2-CD2 3.99Å; L268-L378 HydrophobicContact CD2-CG 4.3Å; L268-D410 WeakPolarHBondContact CD1-O 3.44Å; L268-D410 HydrophobicContact CD2-CB 4.38Å; L268-V411 HydrophobicContact CD1-CB 4.28Å; L268-V411 HydrophobicContact CD2-CB 3.95Å; L268-V411 HydrophobicContact CD2-CG1 4.34Å
269	L	90.1	Very high	89.3	Confident	52 Å²	52	48.2 Å²	48.2	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-68.3	-44.2	173.9	-174	66.4	0	0	0	111.9	P265 R266 K267 C271 G272 S274 L276 L282	P265-L269 WeakPolarHBondContact O-CB 3.43Å; P265-L269 PolarHBondContact O-N 3.13Å; R266-L269 PolarHBondContact O-N 3Å; K267-L269 VanDerWaalsContact C-N 3.3Å; K267-L269 PolarHBondContact O-N 2.87Å; L269-C271 VanDerWaalsContact C-N 3.31Å; L269-C271 PolarHBondContact O-N 2.75Å; L269-G272 PolarHBondContact O-N 3.14Å; L269-G272 VanDerWaalsContact O-N 3.12Å; L269-S274 VanDerWaalsContact CD1-O 3.29Å; L269-S274 WeakPolarHBondContact CD1-O 3.49Å; L269-L276 HydrophobicContact CD1-CG 4.05Å; L269-L276 HydrophobicContact CD2-CD1 3.92Å; L269-L276 HydrophobicContact CD2-CD2 4.3Å; L269-L276 HydrophobicContact CD2-CG 3.92Å; L269-L282 HydrophobicContact CD2-CD1 4.11Å
270	E	90.2	Very high	88.8	Confident	74 Å²	74	50.1 Å²	50.1	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-30.3	179.3	-71.4	166.1	-178.5	0	0	113.2	R266 K267 G272 H375	R266-E270 WeakPolarHBondContact CD-OE1 3.37Å; R266-E270 HydrophobicContact CG-CG 4.47Å; R266-E270 WeakPolarHBondContact CG-OE1 3.37Å; R266-E270 WeakPolarHBondContact O-CG 3.14Å; R266-E270 PolarHBondContact O-N 3.08Å; K267-E270 PolarHBondContact O-N 3.46Å; E270-G272 VanDerWaalsContact C-N 3.34Å; E270-H375 IonicContact OE2-CD2 2.65Å; E270-H375 IonicContact OE2-CE1 2.7Å; E270-H375 IonicContact OE2-NE2 2.82Å; E270-H375 PolarHBondContact OE2-NE2 2.96Å
271	C	87.8	Confident	88.6	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.061	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.3	173.7	-66.5	0	0	0	0	113.4	F150 K267 L269 F273 V369 H375	F150-C271 HydrophobicContact CE1-CB 4.08Å; F150-C271 HydrophobicContact CZ-CB 4.14Å; F150-C271 WeakPolarHBondContact CZ-O 3.45Å; K267-C271 WeakPolarHBondContact O-CB 3.42Å; K267-C271 PolarHBondContact O-N 2.72Å; K267-C271 PolarHBondContact O-SG 2.73Å; L269-C271 VanDerWaalsContact C-N 3.31Å; L269-C271 PolarHBondContact O-N 2.75Å; C271-F273 VanDerWaalsContact C-N 3.3Å; C271-V369 HydrophobicContact CB-CG1 4.13Å; C271-V369 HydrophobicContact CB-CG2 4.41Å; C271-H375 WeakPolarHBondContact SG-CB 3.46Å
272	G	85.2	Confident	88.4	Confident	21 Å²	21	54.3 Å²	54.3	22%	0.216	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	15.6	-172	0	0	0	0	0	114.3	L268 L269 E270	L268-G272 PolarHBondContact O-N 3.04Å; L269-G272 PolarHBondContact O-N 3.14Å; L269-G272 VanDerWaalsContact O-N 3.12Å; E270-G272 VanDerWaalsContact C-N 3.34Å
273	F	83.3	Confident	88.2	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.075	31%	0.312	C	S	.	.	S	Bend	trans	-71.5	-34.7	176.2	-176.6	-82.5	0	0	0	111.7	V56 F150 H260 L268 C271 L378 V411	V56-F273 HydrophobicContact CB-CE2 4.07Å; V56-F273 HydrophobicContact CG1-CE2 3.66Å; V56-F273 HydrophobicContact CG1-CZ 4.29Å; V56-F273 HydrophobicContact CG2-CD2 3.57Å; V56-F273 HydrophobicContact CG2-CE1 4.47Å; V56-F273 HydrophobicContact CG2-CE2 3.13Å; V56-F273 HydrophobicContact CG2-CG 4.45Å; V56-F273 HydrophobicContact CG2-CZ 3.64Å; F150-F273 HydrophobicContact CE1-CB 4.37Å; F150-F273 HydrophobicContact CE1-CD2 4.35Å; F150-F273 HydrophobicContact CE2-CB 4.14Å; F150-F273 HydrophobicContact CE2-CD2 4.18Å; F150-F273 HydrophobicContact CZ-CB 3.63Å; F150-F273 HydrophobicContact CZ-CD2 4.05Å; F150-F273 HydrophobicContact CZ-CG 4.35Å; H260-F273 HydrophobicContact CB-CE1 4.45Å; L268-F273 HydrophobicContact CB-CB 4.26Å; L268-F273 HydrophobicContact CB-CD1 4.36Å; L268-F273 HydrophobicContact CD2-CB 3.92Å; L268-F273 HydrophobicContact CD2-CD1 3.51Å; L268-F273 HydrophobicContact CD2-CD2 4.29Å; L268-F273 HydrophobicContact CD2-CE1 4.03Å; L268-F273 HydrophobicContact CD2-CG 3.66Å; L268-F273 HydrophobicContact CG-CD1 4.36Å; L268-F273 WeakPolarHBondContact O-CB 3.31Å; L268-F273 PolarHBondContact O-N 3.14Å; C271-F273 VanDerWaalsContact C-N 3.3Å; F273-L378 HydrophobicContact CB-CD2 4.42Å; F273-L378 HydrophobicContact CD2-CD2 3.22Å; F273-L378 HydrophobicContact CE2-CD2 3.47Å; F273-L378 VanDerWaalsContact CE2-CD2 3.47Å; F273-L378 HydrophobicContact CG-CD2 3.96Å; F273-L378 HydrophobicContact CZ-CD2 4.44Å; F273-V411 HydrophobicContact CE1-CB 4.48Å; F273-V411 HydrophobicContact CE1-CG2 3.96Å; F273-V411 HydrophobicContact CE2-CG1 4.33Å; F273-V411 HydrophobicContact CZ-CB 4.36Å; F273-V411 HydrophobicContact CZ-CG1 4.02Å; F273-V411 HydrophobicContact CZ-CG2 3.94Å
274	S	83.5	Confident	88	Confident	25 Å²	25	68 Å²	68	18%	0.175	34%	0.336	C	S	.	.	S	Bend	trans	-133.8	153.3	179.6	65.7	0	0	0	0	110.3	L268 L269	L268-S274 WeakPolarHBondContact CB-OG 3.41Å; L268-S274 PolarHBondContact O-N 2.85Å; L269-S274 VanDerWaalsContact CD1-O 3.29Å; L269-S274 WeakPolarHBondContact CD1-O 3.49Å
275	H	81.3	Confident	87.8	Confident	76 Å²	76	66.2 Å²	66.2	35%	0.352	33%	0.327	S	S	.	.			trans	-115.6	153.9	173	-57	-67.5	0	0	0	110.6	Q52 L53 T277	Q52-H275 PolarHBondContact O-NE2 2.81Å; L53-H275 HydrophobicContact CD2-CB 3.72Å; L53-H275 HydrophobicContact CG-CB 4.49Å; H275-T277 PolarHBondContact O-N 2.87Å
276	L	83.1	Confident	87.9	Confident	65 Å²	65	68.2 Å²	68.2	34%	0.34	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-72.5	127	170.7	-65.3	174.5	0	0	0	108.9	L269 T285	L269-L276 HydrophobicContact CD1-CG 4.05Å; L269-L276 HydrophobicContact CD2-CD1 3.92Å; L269-L276 HydrophobicContact CD2-CD2 4.3Å; L269-L276 HydrophobicContact CD2-CG 3.92Å; L276-T285 HydrophobicContact CD2-CG2 4.46Å; L276-T285 VanDerWaalsContact CD2-OG1 3.25Å; L276-T285 WeakPolarHBondContact CD2-OG1 3.47Å
277	T	79.4	Confident	87.9	Confident	79 Å²	79	69.5 Å²	69.5	49%	0.485	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.9	157.7	172.6	55.2	0	0	0	0	110.8	H275 N279 M280	H275-T277 PolarHBondContact O-N 2.87Å; T277-N279 PolarHBondContact O-N 3.23Å; T277-M280 PolarHBondContact O-N 2.82Å; T277-M280 VanDerWaalsContact OG1-CG 3.26Å; T277-M280 WeakPolarHBondContact OG1-CG 3.45Å
278	H	75.5	Confident	88	Confident	155 Å²	155	71 Å²	71	72%	0.718	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	125.8	175.9	-165.2	66.8	0	0	0	109.2
279	N	81	Confident	88.1	Confident	124 Å²	124	73.4 Å²	73.4	66%	0.663	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	2.4	-175.3	-49.9	-39.4	0	0	0	118.2	T277 R284	T277-N279 PolarHBondContact O-N 3.23Å; N279-R284 PolarHBondContact O-NH1 3.13Å
280	M	86.8	Confident	88.5	Confident	68 Å²	68	79.2 Å²	79.2	34%	0.335	38%	0.383	S	S	.	.			trans	-98.2	131.9	172.2	-77.4	-67.4	-165.7	0	0	112.1	T277 R284 L288	T277-M280 PolarHBondContact O-N 2.82Å; T277-M280 VanDerWaalsContact OG1-CG 3.26Å; T277-M280 WeakPolarHBondContact OG1-CG 3.45Å; M280-R284 HydrophobicContact SD-CB 3.9Å; M280-L288 HydrophobicContact CE-CD2 3.94Å
281	T	91.8	Very high	88.8	Confident	67 Å²	67	76.4 Å²	76.4	41%	0.411	37%	0.37	S	S	.	.			trans	-94.4	160.4	166.5	69.6	0	0	0	0	109.9	Q283 R284 T285	T281-Q283 VanDerWaalsContact C-N 3.25Å; T281-Q283 PolarHBondContact O-N 2.8Å; T281-R284 PolarHBondContact O-N 3.29Å; T281-R284 WeakPolarHBondContact OG1-CG 3.05Å; T281-R284 PolarHBondContact OG1-N 2.82Å; T281-T285 PolarHBondContact O-N 2.95Å; T281-T285 PolarHBondContact O-OG1 3.46Å
282	L	91.6	Very high	89.3	Confident	44 Å²	44	78.3 Å²	78.3	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-55.7	-41.7	174.2	175.8	59.9	0	0	0	111.8	R266 L269 T285 I286	R266-L282 HydrophobicContact CB-CD1 4.22Å; R266-L282 HydrophobicContact CG-CD2 4.29Å; L269-L282 HydrophobicContact CD2-CD1 4.11Å; L282-T285 PolarHBondContact O-N 3.45Å; L282-I286 HydrophobicContact CD1-CD1 3.93Å; L282-I286 HydrophobicContact CD1-CG1 4.09Å; L282-I286 HydrophobicContact CG-CD1 3.87Å; L282-I286 HydrophobicContact CG-CG1 4.45Å; L282-I286 VanDerWaalsContact O-CG1 3.3Å; L282-I286 WeakPolarHBondContact O-CG1 3.43Å; L282-I286 PolarHBondContact O-N 3.02Å
283	Q	93.2	Very high	89.8	Confident	163 Å²	163	86 Å²	86	76%	0.762	41%	0.412	S	S	*	.	H	α-helix	trans	-63.4	-42.7	177.9	-69.5	178.7	-13.5	0	0	112.4	T281 T285 I286 K287	T281-Q283 VanDerWaalsContact C-N 3.25Å; T281-Q283 PolarHBondContact O-N 2.8Å; Q283-T285 VanDerWaalsContact C-N 3.32Å; Q283-I286 PolarHBondContact O-N 3.4Å; Q283-K287 WeakPolarHBondContact O-CB 3.27Å; Q283-K287 PolarHBondContact O-N 2.82Å
284	R	93.3	Very high	90.4	Very high	152 Å²	152	87.7 Å²	87.7	57%	0.574	43%	0.43	S	S	*	.	H	α-helix	trans	-62.9	-40.7	174.6	-74.8	179.6	178.1	-179	-2.3	111.4	N279 M280 T281 K287 L288	N279-R284 PolarHBondContact O-NH1 3.13Å; M280-R284 HydrophobicContact SD-CB 3.9Å; T281-R284 PolarHBondContact O-N 3.29Å; T281-R284 WeakPolarHBondContact OG1-CG 3.05Å; T281-R284 PolarHBondContact OG1-N 2.82Å; R284-K287 PolarHBondContact O-N 3.02Å; R284-L288 WeakPolarHBondContact O-CB 3.38Å; R284-L288 PolarHBondContact O-N 2.79Å
285	T	92.8	Very high	91.1	Very high	20 Å²	20	88.6 Å²	88.6	12%	0.123	44%	0.435	C	S	.	.	H	α-helix	trans	-64.8	-44.9	178.4	-53.7	0	0	0	0	111.7	P265 L276 T281 L282 Q283 K287 L288 Y289	P265-T285 HydrophobicContact CB-CG2 3.85Å; P265-T285 HydrophobicContact CG-CG2 4.48Å; L276-T285 HydrophobicContact CD2-CG2 4.46Å; L276-T285 VanDerWaalsContact CD2-OG1 3.25Å; L276-T285 WeakPolarHBondContact CD2-OG1 3.47Å; T281-T285 PolarHBondContact O-N 2.95Å; T281-T285 PolarHBondContact O-OG1 3.46Å; L282-T285 PolarHBondContact O-N 3.45Å; Q283-T285 VanDerWaalsContact C-N 3.32Å; T285-K287 VanDerWaalsContact C-N 3.31Å; T285-K287 PolarHBondContact O-N 2.79Å; T285-L288 PolarHBondContact O-N 3.47Å; T285-Y289 HydrophobicContact CG2-CD2 3.71Å; T285-Y289 HydrophobicContact CG2-CE2 3.68Å; T285-Y289 WeakPolarHBondContact O-CD2 3.39Å; T285-Y289 PolarHBondContact O-N 3.39Å; T285-Y289 VanDerWaalsContact O-N 3.12Å
286	I	94.9	Very high	91.9	Very high	55 Å²	55	90.5 Å²	90.5	28%	0.282	45%	0.447	S	S	.	.	H	α-helix	trans	-60.4	-42	174	-69.1	167.2	0	0	0	110.9	P265 R266 L282 Q283 R290	P265-I286 HydrophobicContact CB-CG1 4.37Å; R266-I286 HydrophobicContact CB-CD1 4.47Å; L282-I286 HydrophobicContact CD1-CD1 3.93Å; L282-I286 HydrophobicContact CD1-CG1 4.09Å; L282-I286 HydrophobicContact CG-CD1 3.87Å; L282-I286 HydrophobicContact CG-CG1 4.45Å; L282-I286 VanDerWaalsContact O-CG1 3.3Å; L282-I286 WeakPolarHBondContact O-CG1 3.43Å; L282-I286 PolarHBondContact O-N 3.02Å; Q283-I286 PolarHBondContact O-N 3.4Å; I286-R290 PolarHBondContact O-N 2.88Å
287	K	95.3	Very high	92.6	Very high	159 Å²	159	88.7 Å²	88.7	69%	0.691	44%	0.438	S	S	*	.	H	α-helix	trans	-65.9	-42.9	177.4	-173.4	179	178.4	-178.7	0	111.8	Q283 R284 T285 Y289 R290	Q283-K287 WeakPolarHBondContact O-CB 3.27Å; Q283-K287 PolarHBondContact O-N 2.82Å; R284-K287 PolarHBondContact O-N 3.02Å; T285-K287 VanDerWaalsContact C-N 3.31Å; T285-K287 PolarHBondContact O-N 2.79Å; K287-Y289 VanDerWaalsContact C-N 3.31Å; K287-Y289 PolarHBondContact O-N 2.91Å; K287-R290 WeakPolarHBondContact O-CB 3.36Å; K287-R290 PolarHBondContact O-N 2.89Å
288	L	94.5	Very high	93.5	Very high	65 Å²	65	94 Å²	94	34%	0.34	46%	0.455	S	S	.	.	H	α-helix	trans	-58.6	-43.7	179.6	173.9	62.7	0	0	0	111.8	M280 R284 T285 K428	M280-L288 HydrophobicContact CE-CD2 3.94Å; R284-L288 WeakPolarHBondContact O-CB 3.38Å; R284-L288 PolarHBondContact O-N 2.79Å; T285-L288 PolarHBondContact O-N 3.47Å; L288-K428 HydrophobicContact CD1-CD 4.07Å; L288-K428 HydrophobicContact CG-CD 4.44Å; L288-K428 WeakPolarHBondContact O-CD 3.46Å; L288-K428 PolarHBondContact O-NZ 3.35Å
289	Y	96.1	Very high	94.5	Very high	51 Å²	51	88 Å²	88	20%	0.2	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.6	-174.5	-68.1	-48.8	0	0	0	114.7	R261 P262 P265 T285 K287 L291 K428	R261-Y289 VanDerWaalsContact NH1-CB 3.31Å; R261-Y289 VanDerWaalsContact NH1-CG 3.33Å; R261-Y289 PolarHBondContact NH2-O 3.4Å; R261-Y289 VanDerWaalsContact NH2-O 3.08Å; P262-Y289 HydrophobicContact CB-CD2 3.78Å; P262-Y289 HydrophobicContact CB-CE2 3.92Å; P262-Y289 HydrophobicContact CB-CG 4.13Å; P262-Y289 HydrophobicContact CG-CD2 4.09Å; P262-Y289 HydrophobicContact CG-CE1 4.3Å; P262-Y289 HydrophobicContact CG-CE2 3.7Å; P265-Y289 HydrophobicContact CB-CD2 4.4Å; P265-Y289 HydrophobicContact CG-CD2 3.79Å; P265-Y289 HydrophobicContact CG-CG 4.33Å; T285-Y289 HydrophobicContact CG2-CD2 3.71Å; T285-Y289 HydrophobicContact CG2-CE2 3.68Å; T285-Y289 WeakPolarHBondContact O-CD2 3.39Å; T285-Y289 PolarHBondContact O-N 3.39Å; T285-Y289 VanDerWaalsContact O-N 3.12Å; K287-Y289 VanDerWaalsContact C-N 3.31Å; K287-Y289 PolarHBondContact O-N 2.91Å; Y289-L291 PolarHBondContact O-N 2.77Å; Y289-K428 HydrophobicContact CD1-CB 4.23Å; Y289-K428 HydrophobicContact CD1-CD 4.42Å; Y289-K428 HydrophobicContact CE1-CB 3.95Å
290	R	97	Very high	95.3	Very high	175 Å²	175	83.3 Å²	83.3	66%	0.66	41%	0.409	S	S	*	.			trans	-56.3	138.7	176.2	-175.6	176.3	-76.9	-176.8	-6.9	110.4	I286 K287	I286-R290 PolarHBondContact O-N 2.88Å; K287-R290 WeakPolarHBondContact O-CB 3.36Å; K287-R290 PolarHBondContact O-N 2.89Å
291	L	97.8	Very high	95.9	Very high	15 Å²	15	83.5 Å²	83.5	8%	0.079	41%	0.406	C	S	.	.			trans	-120.9	154.1	174.7	-70.1	171.5	0	0	0	108.5	L263 Y289 Q398 L401 I402 K405	L263-L291 HydrophobicContact CD2-CD1 3.73Å; Y289-L291 PolarHBondContact O-N 2.77Å; L291-Q398 HydrophobicContact CD2-CG 4.32Å; L291-L401 HydrophobicContact CD1-CB 3.74Å; L291-I402 HydrophobicContact CB-CG1 4.12Å; L291-K405 HydrophobicContact CB-CD 4.03Å; L291-K405 HydrophobicContact CD1-CB 4.4Å; L291-K405 HydrophobicContact CD1-CD 4.14Å; L291-K405 PolarHBondContact O-NZ 3.41Å
292	P	97.4	Very high	96.2	Very high	48 Å²	48	84.5 Å²	84.5	31%	0.312	41%	0.406	S	S	.	.			trans	-52.2	162.7	169.1	-23.8	33	0	0	0	113.3	L296 I402	P292-L296 HydrophobicContact CB-CD2 4.49Å; P292-L296 HydrophobicContact CG-CD1 4.13Å; P292-L296 HydrophobicContact CG-CG 4.49Å; P292-I402 HydrophobicContact CB-CD1 3.88Å; P292-I402 HydrophobicContact CB-CG1 4.45Å; P292-I402 HydrophobicContact CG-CD1 3.84Å
293	E	95.7	Very high	96.5	Very high	183 Å²	183	82.6 Å²	82.6	86%	0.855	40%	0.396	S	S	*	.	S	Bend	trans	-81.6	-25.1	179.8	-66.1	-173.2	167.8	0	0	113.2	Q406	E293-Q406 PolarHBondContact O-NE2 3.1Å
294	A	97.2	Very high	96.7	Very high	53 Å²	53	77.9 Å²	77.9	44%	0.438	38%	0.378	S	S	.	.	S	Bend	trans	-136.1	150.8	179.4	0	0	0	0	0	111
295	P	97.8	Very high	96.9	Very high	43 Å²	43	77.7 Å²	77.7	28%	0.279	38%	0.382	S	S	.	.			trans	-53.1	146.7	171.3	-26.7	36.3	0	0	0	112.3	F300 D399 I402	P295-F300 HydrophobicContact CB-CD1 3.73Å; P295-F300 HydrophobicContact CB-CE1 4.32Å; P295-F300 HydrophobicContact CB-CG 4.36Å; P295-F300 HydrophobicContact CG-CD1 3.94Å; P295-F300 HydrophobicContact CG-CE1 4.17Å; P295-D399 WeakPolarHBondContact CA-OD1 3.2Å; P295-D399 HydrophobicContact CB-CB 4.04Å; P295-D399 WeakPolarHBondContact CB-OD2 3.29Å; P295-I402 HydrophobicContact CG-CG2 4.3Å
296	L	97.8	Very high	97.1	Very high	117 Å²	117	85.6 Å²	85.6	61%	0.613	41%	0.414	S	S	*	.			trans	-106.5	-28.5	-173.5	-58.6	-179.8	0	0	0	113.4	P292 K298 D399	P292-L296 HydrophobicContact CB-CD2 4.49Å; P292-L296 HydrophobicContact CG-CD1 4.13Å; P292-L296 HydrophobicContact CG-CG 4.49Å; L296-K298 PolarHBondContact O-N 3.23Å; L296-D399 VanDerWaalsContact N-CG 3.27Å; L296-D399 PolarHBondContact N-OD1 3.16Å; L296-D399 PolarHBondContact N-OD2 2.91Å
297	V	97.8	Very high	97.2	Very high	26 Å²	26	83.5 Å²	83.5	16%	0.158	40%	0.404	C	S	.	.	S	Bend	trans	-69.1	121.1	-179	178.3	0	0	0	0	108.9	G299 F300 V349 T391 A395 D399	V297-G299 PolarHBondContact O-N 3.28Å; V297-F300 HydrophobicContact CB-CB 4.12Å; V297-F300 HydrophobicContact CG1-CB 4.5Å; V297-F300 VanDerWaalsContact O-CB 3.24Å; V297-F300 WeakPolarHBondContact O-CB 3.43Å; V297-F300 PolarHBondContact O-N 3.47Å; V297-F300 VanDerWaalsContact O-N 3.13Å; V297-V349 HydrophobicContact CG1-CG1 3.93Å; V297-V349 HydrophobicContact CG1-CG2 3.91Å; V297-T391 HydrophobicContact CB-CG2 4.44Å; V297-T391 HydrophobicContact CG1-CG2 3.82Å; V297-T391 HydrophobicContact CG2-CG2 3.71Å; V297-A395 HydrophobicContact CG2-CB 4.15Å; V297-D399 WeakPolarHBondContact CA-OD2 3.44Å; V297-D399 WeakPolarHBondContact CB-OD2 3.38Å; V297-D399 WeakPolarHBondContact CG2-OD2 3.37Å; V297-D399 PolarHBondContact N-OD2 3.33Å
298	K	97.2	Very high	97.4	Very high	191 Å²	191	76 Å²	76	83%	0.83	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	128.9	178.9	-173.7	-176.9	178.5	-176.4	0	109.8	L296 F300	L296-K298 PolarHBondContact O-N 3.23Å; K298-F300 VanDerWaalsContact C-N 3.31Å
299	G	97.5	Very high	97.5	Very high	29 Å²	29	76.2 Å²	76.2	30%	0.299	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-1.6	-179.5	0	0	0	0	0	114.2	V297 R301 E350	V297-G299 PolarHBondContact O-N 3.28Å; G299-R301 PolarHBondContact O-N 2.86Å; G299-E350 WeakPolarHBondContact CA-O 3.46Å; G299-E350 PolarHBondContact O-N 3Å
300	F	98.4	Very high	97.5	Very high	26 Å²	26	77.8 Å²	77.8	11%	0.114	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	119.1	172.2	-173.3	-88.2	0	0	0	110.5	P295 V297 K298 F347 V348 V349 L396 D399	P295-F300 HydrophobicContact CB-CD1 3.73Å; P295-F300 HydrophobicContact CB-CE1 4.32Å; P295-F300 HydrophobicContact CB-CG 4.36Å; P295-F300 HydrophobicContact CG-CD1 3.94Å; P295-F300 HydrophobicContact CG-CE1 4.17Å; V297-F300 HydrophobicContact CB-CB 4.12Å; V297-F300 HydrophobicContact CG1-CB 4.5Å; V297-F300 VanDerWaalsContact O-CB 3.24Å; V297-F300 WeakPolarHBondContact O-CB 3.43Å; V297-F300 PolarHBondContact O-N 3.47Å; V297-F300 VanDerWaalsContact O-N 3.13Å; K298-F300 VanDerWaalsContact C-N 3.31Å; F300-F347 HydrophobicContact CD1-CD1 4.41Å; F300-F347 HydrophobicContact CD2-CB 4.48Å; F300-F347 HydrophobicContact CE1-CB 3.98Å; F300-F347 AromaticContact CE1-CD1 3.47Å; F300-F347 HydrophobicContact CE1-CD1 3.47Å; F300-F347 VanDerWaalsContact CE1-CD1 3.47Å; F300-F347 HydrophobicContact CE1-CE1 4.18Å; F300-F347 AromaticContact CE1-CG 3.83Å; F300-F347 HydrophobicContact CE1-CG 3.83Å; F300-F347 HydrophobicContact CE2-CB 3.7Å; F300-F347 HydrophobicContact CE2-CG 4.28Å; F300-F347 HydrophobicContact CZ-CB 3.39Å; F300-F347 AromaticContact CZ-CD1 3.66Å; F300-F347 HydrophobicContact CZ-CD1 3.66Å; F300-F347 HydrophobicContact CZ-CD2 4.18Å; F300-F347 AromaticContact CZ-CG 3.47Å; F300-F347 HydrophobicContact CZ-CG 3.47Å; F300-F347 VanDerWaalsContact CZ-CG 3.47Å; F300-V348 WeakPolarHBondContact CA-O 3.48Å; F300-V349 HydrophobicContact CB-CG2 4.46Å; F300-V349 HydrophobicContact CD2-CG2 4.04Å; F300-L396 HydrophobicContact CD2-CD1 4.32Å; F300-L396 HydrophobicContact CE2-CD1 4.21Å; F300-D399 HydrophobicContact CD1-CB 4.19Å; F300-D399 HydrophobicContact CD2-CB 3.9Å; F300-D399 HydrophobicContact CE1-CB 4.14Å; F300-D399 HydrophobicContact CE2-CB 3.84Å; F300-D399 HydrophobicContact CG-CB 4.08Å; F300-D399 HydrophobicContact CZ-CB 3.96Å
301	R	97.9	Very high	97.6	Very high	72 Å²	72	69.5 Å²	69.5	27%	0.272	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.8	178.6	61.5	171.1	179.2	74.2	-2.6	111.5	G299 M303 D307 F347 V348 E350	G299-R301 PolarHBondContact O-N 2.86Å; R301-M303 PolarHBondContact O-N 3.07Å; R301-D307 IonicContact CZ-OD1 3.84Å; R301-D307 IonicContact CZ-OD2 3.26Å; R301-D307 IonicContact NH1-OD1 3.52Å; R301-D307 PolarHBondContact NH1-OD1 2.79Å; R301-D307 IonicContact NH1-OD2 2.74Å; R301-D307 PolarHBondContact NH1-OD2 3.37Å; R301-D307 IonicContact NH2-OD1 2.95Å; R301-D307 PolarHBondContact NH2-OD1 3.04Å; R301-D307 IonicContact NH2-OD2 2.93Å; R301-F347 CarbonylContact O-C 3.42Å; R301-F347 VanDerWaalsContact O-CA 3.24Å; R301-F347 WeakPolarHBondContact O-CA 3.24Å; R301-F347 WeakPolarHBondContact O-CB 3.37Å; R301-V348 HydrophobicContact CG-CG2 4.04Å; R301-V348 PolarHBondContact N-O 3.2Å; R301-V348 PolarHBondContact O-N 3Å; R301-E350 IonicContact CZ-OE2 3.11Å; R301-E350 IonicContact NE-OE2 2.76Å; R301-E350 PolarHBondContact NE-OE2 3.36Å; R301-E350 IonicContact NH2-OE2 2.9Å; R301-E350 PolarHBondContact NH2-OE2 2.98Å
302	Q	98.3	Very high	97.6	Very high	88 Å²	88	72.4 Å²	72.4	41%	0.411	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.7	173	-171.2	169.7	-7.9	0	0	110.5	P339 F347	Q302-P339 HydrophobicContact CG-CB 4.31Å; Q302-P339 HydrophobicContact CG-CG 3.85Å; Q302-P339 VanDerWaalsContact NE2-CB 3.26Å; Q302-F347 HydrophobicContact CB-CD1 4.21Å; Q302-F347 HydrophobicContact CB-CE1 4.2Å
303	M	98.3	Very high	97.6	Very high	4 Å²	4	72.9 Å²	72.9	2%	0.02	37%	0.366	C	S	.	.			trans	-68.5	145.1	178.8	-173.3	-167.7	162.3	0	0	110.5	R301 D307 V308 A311 F333 F337 P339 S346 V348 F359	R301-M303 PolarHBondContact O-N 3.07Å; M303-D307 HydrophobicContact CE-CB 4.4Å; M303-D307 HydrophobicContact CG-CB 3.91Å; M303-V308 HydrophobicContact CE-CB 4.28Å; M303-V308 HydrophobicContact CE-CG2 3.47Å; M303-V308 VanDerWaalsContact CE-CG2 3.47Å; M303-A311 HydrophobicContact CE-CB 4.28Å; M303-F333 HydrophobicContact CE-CE1 3.61Å; M303-F333 HydrophobicContact CE-CZ 4.3Å; M303-F333 HydrophobicContact SD-CE1 4.47Å; M303-F337 HydrophobicContact SD-CB 4.48Å; M303-P339 HydrophobicContact CB-CG 4.34Å; M303-P339 WeakPolarHBondContact O-CD 3.32Å; M303-P339 WeakPolarHBondContact O-CG 3.25Å; M303-S346 WeakPolarHBondContact CB-O 3.49Å; M303-S346 PolarHBondContact N-O 3.5Å; M303-V348 HydrophobicContact CB-CG1 4.12Å; M303-V348 HydrophobicContact CG-CG1 3.99Å; M303-F359 HydrophobicContact SD-CD2 4.3Å; M303-F359 HydrophobicContact SD-CE2 3.71Å
304	T	97.6	Very high	97.7	Very high	64 Å²	64	65.5 Å²	65.5	39%	0.393	33%	0.332	S	S	.	.			trans	-121.1	168.9	172.5	72.3	0	0	0	0	111	K306 D307	T304-K306 PolarHBondContact O-N 3.21Å; T304-K306 VanDerWaalsContact O-N 3.1Å; T304-K306 PolarHBondContact OG1-N 2.67Å; T304-D307 PolarHBondContact N-OD2 2.86Å; T304-D307 WeakPolarHBondContact O-CB 3.42Å; T304-D307 PolarHBondContact O-N 2.99Å; T304-D307 PolarHBondContact OG1-OD2 2.81Å
305	K	97.4	Very high	97.8	Very high	148 Å²	148	63 Å²	63	64%	0.643	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-56.6	-27.1	175	-68.4	-175.4	179.4	-179.7	0	113.5	D307 V308 V338	K305-D307 PolarHBondContact O-N 2.84Å; K305-V308 WeakPolarHBondContact O-CB 3.3Å; K305-V308 WeakPolarHBondContact O-CG2 3.1Å; K305-V308 PolarHBondContact O-N 2.89Å; K305-V338 HydrophobicContact CG-CG1 3.85Å; K305-V338 HydrophobicContact CG-CG2 4.12Å
306	K	97.2	Very high	97.8	Very high	186 Å²	186	62.4 Å²	62.4	81%	0.809	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-69.6	-23	179	-64.6	179.8	179.7	177.5	0	112.7	T304 P309	T304-K306 PolarHBondContact O-N 3.21Å; T304-K306 VanDerWaalsContact O-N 3.1Å; T304-K306 PolarHBondContact OG1-N 2.67Å; K306-P309 VanDerWaalsContact O-CD 3.32Å; K306-P309 WeakPolarHBondContact O-CD 3.46Å
307	D	97.8	Very high	97.8	Very high	11 Å²	11	63.2 Å²	63.2	6%	0.059	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-84.2	-16.9	-177.6	-54.3	-53.8	0	0	0	112.2	R301 M303 T304 K305 P309 K310 A311	R301-D307 IonicContact CZ-OD1 3.84Å; R301-D307 IonicContact CZ-OD2 3.26Å; R301-D307 IonicContact NH1-OD1 3.52Å; R301-D307 PolarHBondContact NH1-OD1 2.79Å; R301-D307 IonicContact NH1-OD2 2.74Å; R301-D307 PolarHBondContact NH1-OD2 3.37Å; R301-D307 IonicContact NH2-OD1 2.95Å; R301-D307 PolarHBondContact NH2-OD1 3.04Å; R301-D307 IonicContact NH2-OD2 2.93Å; M303-D307 HydrophobicContact CE-CB 4.4Å; M303-D307 HydrophobicContact CG-CB 3.91Å; T304-D307 PolarHBondContact N-OD2 2.86Å; T304-D307 WeakPolarHBondContact O-CB 3.42Å; T304-D307 PolarHBondContact O-N 2.99Å; T304-D307 PolarHBondContact OG1-OD2 2.81Å; K305-D307 PolarHBondContact O-N 2.84Å; D307-P309 VanDerWaalsContact C-CD 3.47Å; D307-K310 PolarHBondContact O-N 3.01Å; D307-A311 PolarHBondContact O-N 3.24Å
308	V	98	Very high	97.8	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-49.3	-48	-178.3	170.5	0	0	0	0	113.2	M303 K305 K310 A311 W312 K330 F333 Q334 V338	M303-V308 HydrophobicContact CE-CB 4.28Å; M303-V308 HydrophobicContact CE-CG2 3.47Å; M303-V308 VanDerWaalsContact CE-CG2 3.47Å; K305-V308 WeakPolarHBondContact O-CB 3.3Å; K305-V308 WeakPolarHBondContact O-CG2 3.1Å; K305-V308 PolarHBondContact O-N 2.89Å; V308-K310 PolarHBondContact O-N 3.13Å; V308-K310 VanDerWaalsContact O-N 3.13Å; V308-A311 PolarHBondContact O-N 2.92Å; V308-W312 VanDerWaalsContact O-CB 3.25Å; V308-W312 WeakPolarHBondContact O-CB 3.37Å; V308-W312 PolarHBondContact O-N 3.01Å; V308-K330 HydrophobicContact CG1-CG 4.01Å; V308-F333 HydrophobicContact CG1-CD1 4.04Å; V308-F333 HydrophobicContact CG1-CE1 4.49Å; V308-Q334 HydrophobicContact CG1-CB 4.39Å; V308-Q334 HydrophobicContact CG2-CB 4.46Å; V308-Q334 HydrophobicContact CG2-CG 4.28Å; V308-V338 HydrophobicContact CG2-CG2 3.8Å
309	P	97.4	Very high	97.9	Very high	70 Å²	70	53.3 Å²	53.3	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-20.9	-179.5	-21.8	35	0	0	0	114.5	K306 D307 P313	K306-P309 VanDerWaalsContact O-CD 3.32Å; K306-P309 WeakPolarHBondContact O-CD 3.46Å; D307-P309 VanDerWaalsContact C-CD 3.47Å; P309-P313 VanDerWaalsContact O-CD 3.25Å; P309-P313 WeakPolarHBondContact O-CD 3.48Å; P309-P313 WeakPolarHBondContact O-CG 3.32Å
310	K	96.9	Very high	97.9	Very high	84 Å²	84	58.6 Å²	58.6	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-99.1	-40.8	179.4	-60.2	-172.9	180	-162.2	0	112.2	D307 V308 G354 I356	D307-K310 PolarHBondContact O-N 3.01Å; V308-K310 PolarHBondContact O-N 3.13Å; V308-K310 VanDerWaalsContact O-N 3.13Å; K310-G354 PolarHBondContact NZ-O 3.02Å; K310-I356 HydrophobicContact CB-CB 4.02Å; K310-I356 HydrophobicContact CB-CG1 3.96Å; K310-I356 HydrophobicContact CD-CG1 4.02Å
311	A	97.9	Very high	97.8	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-74.7	-30.9	-178.7	0	0	0	0	0	113.1	M303 D307 V308 L314 L315 F333 V348 F359	M303-A311 HydrophobicContact CE-CB 4.28Å; D307-A311 PolarHBondContact O-N 3.24Å; V308-A311 PolarHBondContact O-N 2.92Å; A311-L314 WeakPolarHBondContact O-CB 3.38Å; A311-L314 PolarHBondContact O-N 3.01Å; A311-L315 PolarHBondContact O-N 3.09Å; A311-F333 HydrophobicContact CB-CE1 3.99Å; A311-F333 HydrophobicContact CB-CZ 3.66Å; A311-V348 HydrophobicContact CB-CG1 4.49Å; A311-F359 HydrophobicContact CB-CD2 4.18Å
312	W	98.3	Very high	97.8	Very high	76 Å²	76	61.1 Å²	61.1	29%	0.288	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-49.8	179.4	167.6	54.3	0	0	0	113.5	V308 L314 L315 S316 F328 K330 F333	V308-W312 VanDerWaalsContact O-CB 3.25Å; V308-W312 WeakPolarHBondContact O-CB 3.37Å; V308-W312 PolarHBondContact O-N 3.01Å; W312-L314 VanDerWaalsContact C-N 3.28Å; W312-L314 PolarHBondContact O-N 3.33Å; W312-L315 PolarHBondContact O-N 2.82Å; W312-S316 PolarHBondContact NE1-OG 3.4Å; W312-S316 WeakPolarHBondContact O-CB 3.44Å; W312-S316 PolarHBondContact O-N 3.38Å; W312-S316 PolarHBondContact O-OG 2.85Å; W312-F328 PolarHBondContact NE1-O 3.49Å; W312-K330 HydrophobicContact CD2-CB 3.96Å; W312-K330 HydrophobicContact CD2-CG 4.32Å; W312-K330 HydrophobicContact CE3-CB 3.83Å; W312-K330 HydrophobicContact CE3-CD 4.25Å; W312-K330 HydrophobicContact CE3-CG 3.99Å; W312-K330 HydrophobicContact CH2-CB 4.12Å; W312-K330 HydrophobicContact CZ2-CB 4.24Å; W312-K330 HydrophobicContact CZ3-CB 3.92Å; W312-K330 HydrophobicContact CZ3-CD 4.35Å; W312-K330 HydrophobicContact CZ3-CG 4.37Å; W312-F333 HydrophobicContact CB-CB 4.17Å; W312-F333 HydrophobicContact CB-CD1 3.67Å; W312-F333 HydrophobicContact CB-CD2 3.96Å; W312-F333 HydrophobicContact CB-CE1 3.99Å; W312-F333 HydrophobicContact CB-CE2 4.29Å; W312-F333 HydrophobicContact CB-CG 3.65Å; W312-F333 HydrophobicContact CB-CZ 4.31Å; W312-F333 AromaticContact CD1-CD2 3.83Å; W312-F333 AromaticContact CD1-CG 3.76Å; W312-F333 HydrophobicContact CG-CB 4.04Å; W312-F333 HydrophobicContact CG-CD1 4.44Å; W312-F333 HydrophobicContact CG-CD2 4.3Å; W312-F333 HydrophobicContact CG-CG 4.01Å
313	P	98	Very high	97.8	Very high	59 Å²	59	59.2 Å²	59.2	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-40.4	173.5	-25.3	34.7	0	0	0	112.5	P309 L315 S316 E317	P309-P313 VanDerWaalsContact O-CD 3.25Å; P309-P313 WeakPolarHBondContact O-CD 3.48Å; P309-P313 WeakPolarHBondContact O-CG 3.32Å; P313-L315 PolarHBondContact O-N 3.04Å; P313-S316 PolarHBondContact O-N 3.1Å; P313-E317 WeakPolarHBondContact O-CB 3.09Å; P313-E317 PolarHBondContact O-N 3.02Å
314	L	97.5	Very high	97.8	Very high	27 Å²	27	59.1 Å²	59.1	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-46.1	178.9	-174.5	69.4	0	0	0	112.3	A311 W312 Y318 I356 T357 F359 V387 T389	A311-L314 WeakPolarHBondContact O-CB 3.38Å; A311-L314 PolarHBondContact O-N 3.01Å; W312-L314 VanDerWaalsContact C-N 3.28Å; W312-L314 PolarHBondContact O-N 3.33Å; L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.43Å; L314-I356 HydrophobicContact CD2-CG2 4.34Å; L314-T357 WeakPolarHBondContact CD2-O 3.25Å; L314-F359 HydrophobicContact CD2-CB 4.07Å; L314-V387 HydrophobicContact CD1-CG1 4.19Å; L314-V387 HydrophobicContact CD2-CB 4.49Å; L314-V387 HydrophobicContact CD2-CG1 4.41Å; L314-V387 HydrophobicContact CG-CB 4.32Å; L314-V387 HydrophobicContact CG-CG1 3.88Å; L314-T389 HydrophobicContact CD1-CG2 3.62Å
315	L	98.3	Very high	97.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-41.1	175	179.8	61.2	0	0	0	112.3	A311 W312 P313 Y318 L319 F328 F333 F337 F359 Y385 V387	A311-L315 PolarHBondContact O-N 3.09Å; W312-L315 PolarHBondContact O-N 2.82Å; P313-L315 PolarHBondContact O-N 3.04Å; L315-Y318 HydrophobicContact CD1-CD1 4.37Å; L315-Y318 PolarHBondContact O-N 3.29Å; L315-L319 HydrophobicContact CD1-CD1 4Å; L315-L319 HydrophobicContact CD1-CD2 4.42Å; L315-L319 HydrophobicContact CD1-CG 3.91Å; L315-L319 HydrophobicContact CD2-CD1 4.41Å; L315-L319 HydrophobicContact CG-CD1 3.88Å; L315-L319 HydrophobicContact CG-CG 4.23Å; L315-L319 WeakPolarHBondContact O-CB 3.34Å; L315-L319 VanDerWaalsContact O-CG 3.31Å; L315-L319 WeakPolarHBondContact O-CG 3.24Å; L315-L319 PolarHBondContact O-N 3.3Å; L315-F328 HydrophobicContact CD2-CD2 4.17Å; L315-F328 HydrophobicContact CD2-CE2 4.24Å; L315-F333 HydrophobicContact CB-CD2 4.45Å; L315-F333 HydrophobicContact CB-CE2 3.84Å; L315-F333 HydrophobicContact CD2-CD2 3.89Å; L315-F333 HydrophobicContact CD2-CE2 3.62Å; L315-F333 HydrophobicContact CG-CE2 4.37Å; L315-F337 HydrophobicContact CD2-CD2 4.31Å; L315-F337 HydrophobicContact CD2-CE1 4.26Å; L315-F337 HydrophobicContact CD2-CE2 3.57Å; L315-F337 HydrophobicContact CD2-CZ 3.53Å; L315-F359 HydrophobicContact CD2-CE1 4.38Å; L315-Y385 HydrophobicContact CD1-CD1 4.11Å; L315-Y385 HydrophobicContact CD1-CG 4.35Å; L315-Y385 HydrophobicContact CD2-CD1 4.48Å; L315-Y385 HydrophobicContact CD2-CG 4.29Å; L315-V387 HydrophobicContact CB-CG2 4.23Å; L315-V387 HydrophobicContact CD1-CG2 3.67Å
316	S	98	Very high	97.8	Very high	32 Å²	32	49.9 Å²	49.9	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-49.4	-178.5	-54.6	0	0	0	0	111	W312 P313 Y318 L319 E320	W312-S316 PolarHBondContact NE1-OG 3.4Å; W312-S316 WeakPolarHBondContact O-CB 3.44Å; W312-S316 PolarHBondContact O-N 3.38Å; W312-S316 PolarHBondContact O-OG 2.85Å; P313-S316 PolarHBondContact O-N 3.1Å; S316-Y318 VanDerWaalsContact C-N 3.33Å; S316-Y318 PolarHBondContact O-N 3.33Å; S316-L319 PolarHBondContact O-N 3.46Å; S316-E320 PolarHBondContact O-N 2.78Å
317	E	98	Very high	97.9	Very high	134 Å²	134	43.9 Å²	43.9	63%	0.626	22%	0.217	S	C	*	.	H	α-helix	trans	-62.8	-37.7	177.6	-175.2	-176.6	165.3	0	0	112.3	P313	P313-E317 WeakPolarHBondContact O-CB 3.09Å; P313-E317 PolarHBondContact O-N 3.02Å
318	Y	98.2	Very high	97.9	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-41.1	175.9	173.4	-103.7	0	0	0	112.3	L314 L315 S316 E320 K321 F322 N386 V387 W393 M418 E419	L314-Y318 WeakPolarHBondContact O-CB 3.43Å; L314-Y318 PolarHBondContact O-N 3.43Å; L315-Y318 HydrophobicContact CD1-CD1 4.37Å; L315-Y318 PolarHBondContact O-N 3.29Å; S316-Y318 VanDerWaalsContact C-N 3.33Å; S316-Y318 PolarHBondContact O-N 3.33Å; Y318-E320 VanDerWaalsContact C-N 3.32Å; Y318-E320 PolarHBondContact O-N 2.82Å; Y318-K321 WeakPolarHBondContact O-CB 3.5Å; Y318-K321 WeakPolarHBondContact O-CG 3.38Å; Y318-K321 PolarHBondContact O-N 2.65Å; Y318-F322 AromaticContact CD1-CE2 3.89Å; Y318-F322 HydrophobicContact CD1-CE2 3.89Å; Y318-F322 HydrophobicContact CD1-CZ 4.5Å; Y318-F322 AromaticContact CE1-CE2 3.47Å; Y318-F322 HydrophobicContact CE1-CE2 3.47Å; Y318-F322 VanDerWaalsContact CE1-CE2 3.47Å; Y318-F322 AromaticContact CE1-CZ 3.76Å; Y318-F322 HydrophobicContact CE1-CZ 3.76Å; Y318-F322 HydrophobicContact CE2-CE2 4.39Å; Y318-F322 HydrophobicContact CE2-CZ 4.12Å; Y318-F322 AromaticContact CZ-CE2 3.76Å; Y318-F322 AromaticContact CZ-CZ 3.54Å; Y318-N386 WeakPolarHBondContact CE1-O 2.94Å; Y318-V387 HydrophobicContact CD1-CG2 3.82Å; Y318-V387 HydrophobicContact CD2-CG1 4.08Å; Y318-V387 HydrophobicContact CG-CB 4.32Å; Y318-V387 HydrophobicContact CG-CG1 3.9Å; Y318-V387 HydrophobicContact CG-CG2 3.87Å; Y318-W393 HydrophobicContact CE2-CH2 4.32Å; Y318-W393 AromaticContact CE2-CZ2 3.85Å; Y318-W393 HydrophobicContact CE2-CZ2 3.85Å; Y318-W393 AromaticContact CZ-CH2 3.96Å; Y318-W393 AromaticContact CZ-CZ2 3.87Å; Y318-W393 WeakPolarHBondContact OH-CH2 3.17Å; Y318-W393 WeakPolarHBondContact OH-CZ2 3.13Å; Y318-M418 HydrophobicContact CE1-SD 4.02Å; Y318-E419 HydrophobicContact CE2-CG 4.36Å; Y318-E419 WeakPolarHBondContact OH-CG 3.2Å
319	L	98.3	Very high	97.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-29.4	-177.1	-75.3	176.6	0	0	0	113.4	L315 S316 K321 F322 H325 P326 F328 Y385 M418 G454	L315-L319 HydrophobicContact CD1-CD1 4Å; L315-L319 HydrophobicContact CD1-CD2 4.42Å; L315-L319 HydrophobicContact CD1-CG 3.91Å; L315-L319 HydrophobicContact CD2-CD1 4.41Å; L315-L319 HydrophobicContact CG-CD1 3.88Å; L315-L319 HydrophobicContact CG-CG 4.23Å; L315-L319 WeakPolarHBondContact O-CB 3.34Å; L315-L319 VanDerWaalsContact O-CG 3.31Å; L315-L319 WeakPolarHBondContact O-CG 3.24Å; L315-L319 PolarHBondContact O-N 3.3Å; S316-L319 PolarHBondContact O-N 3.46Å; L319-K321 PolarHBondContact O-N 2.65Å; L319-F322 HydrophobicContact CD2-CD2 4.03Å; L319-F322 HydrophobicContact CD2-CE2 4.22Å; L319-F322 WeakPolarHBondContact O-CD2 3.35Å; L319-F322 PolarHBondContact O-N 3.41Å; L319-H325 HydrophobicContact CB-CB 4.16Å; L319-H325 HydrophobicContact CD2-CB 4.34Å; L319-H325 PolarHBondContact O-CE1 2.75Å; L319-H325 VanDerWaalsContact O-CG 3.24Å; L319-H325 PolarHBondContact O-ND1 2.78Å; L319-H325 VanDerWaalsContact O-ND1 3.12Å; L319-P326 HydrophobicContact CD1-CG 4.15Å; L319-F328 HydrophobicContact CD1-CD2 4.15Å; L319-F328 HydrophobicContact CD1-CE2 4.11Å; L319-Y385 HydrophobicContact CD1-CD1 4.27Å; L319-Y385 HydrophobicContact CD1-CE1 4.19Å; L319-Y385 HydrophobicContact CD2-CD1 3.93Å; L319-Y385 HydrophobicContact CD2-CE1 3.92Å; L319-M418 HydrophobicContact CD2-SD 4.36Å; L319-G454 WeakPolarHBondContact CD2-O 3.4Å
320	E	97.6	Very high	97.9	Very high	140 Å²	140	48.8 Å²	48.8	65%	0.654	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18	177.8	-73.5	175.2	-169.6	0	0	113.8	S316 Y318 F322	S316-E320 PolarHBondContact O-N 2.78Å; Y318-E320 VanDerWaalsContact C-N 3.32Å; Y318-E320 PolarHBondContact O-N 2.82Å; E320-F322 VanDerWaalsContact C-N 3.29Å; E320-F322 PolarHBondContact O-N 3.45Å
321	K	97	Very high	98	Very high	140 Å²	140	51.2 Å²	51.2	61%	0.609	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-18	177	-60.3	174.5	-175	174.8	0	113.6	Y318 L319	Y318-K321 WeakPolarHBondContact O-CB 3.5Å; Y318-K321 WeakPolarHBondContact O-CG 3.38Å; Y318-K321 PolarHBondContact O-N 2.65Å; L319-K321 PolarHBondContact O-N 2.65Å
322	F	98	Very high	98	Very high	12 Å²	12	52.3 Å²	52.3	5%	0.053	25%	0.254	C	S	.	.	S	Bend	trans	-98.5	142.6	-175.6	-54.5	-64.5	0	0	0	110.8	Y318 L319 E320 I324 H325 M418 E419 S451 E452	Y318-F322 AromaticContact CD1-CE2 3.89Å; Y318-F322 HydrophobicContact CD1-CE2 3.89Å; Y318-F322 HydrophobicContact CD1-CZ 4.5Å; Y318-F322 AromaticContact CE1-CE2 3.47Å; Y318-F322 HydrophobicContact CE1-CE2 3.47Å; Y318-F322 VanDerWaalsContact CE1-CE2 3.47Å; Y318-F322 AromaticContact CE1-CZ 3.76Å; Y318-F322 HydrophobicContact CE1-CZ 3.76Å; Y318-F322 HydrophobicContact CE2-CE2 4.39Å; Y318-F322 HydrophobicContact CE2-CZ 4.12Å; Y318-F322 AromaticContact CZ-CE2 3.76Å; Y318-F322 AromaticContact CZ-CZ 3.54Å; L319-F322 HydrophobicContact CD2-CD2 4.03Å; L319-F322 HydrophobicContact CD2-CE2 4.22Å; L319-F322 WeakPolarHBondContact O-CD2 3.35Å; L319-F322 PolarHBondContact O-N 3.41Å; E320-F322 VanDerWaalsContact C-N 3.29Å; E320-F322 PolarHBondContact O-N 3.45Å; F322-I324 VanDerWaalsContact C-N 3.27Å; F322-I324 PolarHBondContact O-N 3.33Å; F322-H325 HydrophobicContact CB-CB 4.37Å; F322-H325 PolarHBondContact O-CE1 3.48Å; F322-H325 PolarHBondContact O-ND1 3.18Å; F322-M418 HydrophobicContact CD1-CG 4.5Å; F322-M418 HydrophobicContact CD2-CG 4.24Å; F322-M418 HydrophobicContact CE1-CB 3.88Å; F322-M418 HydrophobicContact CE1-CG 4.11Å; F322-M418 HydrophobicContact CE2-CB 4.24Å; F322-M418 HydrophobicContact CE2-CG 3.84Å; F322-M418 HydrophobicContact CE2-SD 4.18Å; F322-M418 HydrophobicContact CZ-CB 3.66Å; F322-M418 HydrophobicContact CZ-CG 3.77Å; F322-M418 HydrophobicContact CZ-SD 4.49Å; F322-E419 HydrophobicContact CE1-CG 4.29Å; F322-E419 HydrophobicContact CZ-CG 4.18Å; F322-S451 VanDerWaalsContact CD1-O 3.26Å; F322-S451 WeakPolarHBondContact CD1-O 3.1Å; F322-S451 WeakPolarHBondContact CE1-O 3.39Å; F322-E452 WeakPolarHBondContact CB-O 3.25Å
323	N	97.7	Very high	98	Very high	48 Å²	48	48.7 Å²	48.7	26%	0.257	24%	0.24	S	C	.	.	S	Bend	trans	-64.3	-34.6	-179	-74.2	-28.5	0	0	0	112.1	Y198 T448 E452	Y198-N323 WeakPolarHBondContact CA-O 3.5Å; Y198-N323 HydrophobicContact CD1-CB 3.76Å; Y198-N323 HydrophobicContact CE1-CB 3.67Å; Y198-N323 WeakPolarHBondContact CE1-ND2 3.16Å; Y198-N323 HydrophobicContact CG-CB 4.38Å; Y198-N323 PolarHBondContact N-O 3.16Å; N323-T448 HydrophobicContact CB-CG2 4Å; N323-E452 HydrophobicContact CB-CB 4.29Å; N323-E452 PolarHBondContact N-O 3.22Å; N323-E452 PolarHBondContact ND2-OE2 3.43Å
324	I	98.1	Very high	98	Very high	2 Å²	2	50 Å²	50	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	111.5	-178.6	-60.5	179.6	0	0	0	108.7	L195 Q196 I197 Y198 V253 F322 T448 E452 I453 G454 I455	L195-I324 HydrophobicContact CD2-CG2 4.18Å; Q196-I324 VanDerWaalsContact O-CA 3.3Å; Q196-I324 WeakPolarHBondContact O-CA 3.08Å; I197-I324 HydrophobicContact CG2-CD1 4.41Å; I197-I324 HydrophobicContact CG2-CG1 4.28Å; Y198-I324 HydrophobicContact CE2-CD1 4.34Å; Y198-I324 HydrophobicContact CE2-CG1 4.46Å; V253-I324 HydrophobicContact CG2-CD1 4.33Å; F322-I324 VanDerWaalsContact C-N 3.27Å; F322-I324 PolarHBondContact O-N 3.33Å; I324-T448 HydrophobicContact CD1-CG2 4.44Å; I324-T448 VanDerWaalsContact CD1-OG1 3.26Å; I324-T448 WeakPolarHBondContact CD1-OG1 3.47Å; I324-E452 PolarHBondContact N-O 2.82Å; I324-I453 HydrophobicContact CB-CD1 3.92Å; I324-I453 HydrophobicContact CD1-CD1 4.06Å; I324-I453 HydrophobicContact CG1-CD1 4.39Å; I324-I453 HydrophobicContact CG2-CD1 4.39Å; I324-G454 WeakPolarHBondContact O-CA 2.91Å; I324-G454 PolarHBondContact O-N 3.24Å; I324-I455 HydrophobicContact CG2-CD1 3.35Å; I324-I455 HydrophobicContact CG2-CG1 4.22Å
325	H	98.3	Very high	98	Very high	13 Å²	13	50 Å²	50	6%	0.06	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.5	-174.8	64.7	-94.6	0	0	0	112.2	L195 Q196 L319 F322	L195-H325 WeakPolarHBondContact CD1-O 3.22Å; Q196-H325 VanDerWaalsContact CB-CE1 3.43Å; Q196-H325 WeakPolarHBondContact CB-CE1 3.46Å; Q196-H325 WeakPolarHBondContact CB-NE2 3.3Å; Q196-H325 VanDerWaalsContact CG-CE1 3.44Å; Q196-H325 WeakPolarHBondContact CG-CE1 3.28Å; Q196-H325 PolarHBondContact N-O 3.27Å; Q196-H325 PolarHBondContact O-N 3.42Å; Q196-H325 VanDerWaalsContact O-N 3.14Å; L319-H325 HydrophobicContact CB-CB 4.16Å; L319-H325 HydrophobicContact CD2-CB 4.34Å; L319-H325 PolarHBondContact O-CE1 2.75Å; L319-H325 VanDerWaalsContact O-CG 3.24Å; L319-H325 PolarHBondContact O-ND1 2.78Å; L319-H325 VanDerWaalsContact O-ND1 3.12Å; F322-H325 HydrophobicContact CB-CB 4.37Å; F322-H325 PolarHBondContact O-CE1 3.48Å; F322-H325 PolarHBondContact O-ND1 3.18Å
326	P	98	Very high	98	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	146.8	175.6	35.5	-33.7	0	0	0	111.3	H194 L195 L319 F328 Y385 G454	H194-P326 CarbonylContact O-C 3.44Å; H194-P326 WeakPolarHBondContact O-CA 3.46Å; L195-P326 HydrophobicContact CD1-CB 4.39Å; L319-P326 HydrophobicContact CD1-CG 4.15Å; P326-F328 HydrophobicContact CB-CE1 4.14Å; P326-F328 HydrophobicContact CB-CE2 4.18Å; P326-F328 HydrophobicContact CB-CZ 3.94Å; P326-F328 HydrophobicContact CG-CD2 4.15Å; P326-F328 HydrophobicContact CG-CE1 4.21Å; P326-F328 HydrophobicContact CG-CE2 3.46Å; P326-F328 VanDerWaalsContact CG-CE2 3.46Å; P326-F328 HydrophobicContact CG-CZ 3.5Å; P326-F328 VanDerWaalsContact CG-CZ 3.5Å; P326-Y385 HydrophobicContact CG-CE1 4.11Å; P326-Y385 WeakPolarHBondContact CG-OH 3.4Å; P326-G454 WeakPolarHBondContact CD-O 3.5Å
327	I	98.4	Very high	98	Very high	60 Å²	60	49 Å²	49	31%	0.308	23%	0.232	S	C	.	.			trans	-103.2	89	172.8	-57.1	169	0	0	0	107.5	H194 Q196 A201	H194-I327 HydrophobicContact CB-CB 4.28Å; H194-I327 PolarHBondContact O-N 2.92Å; Q196-I327 HydrophobicContact CB-CD1 4.15Å; Q196-I327 HydrophobicContact CB-CG1 4.24Å; A201-I327 HydrophobicContact CB-CD1 3.94Å
328	F	98	Very high	98	Very high	21 Å²	21	43.4 Å²	43.4	9%	0.092	21%	0.207	C	C	.	.			trans	-71.8	129.7	179.4	-65.2	-61.4	0	0	0	111.6	W312 L315 L319 P326 E332 F333 F336 F337 Y385	W312-F328 PolarHBondContact NE1-O 3.49Å; L315-F328 HydrophobicContact CD2-CD2 4.17Å; L315-F328 HydrophobicContact CD2-CE2 4.24Å; L319-F328 HydrophobicContact CD1-CD2 4.15Å; L319-F328 HydrophobicContact CD1-CE2 4.11Å; P326-F328 HydrophobicContact CB-CE1 4.14Å; P326-F328 HydrophobicContact CB-CE2 4.18Å; P326-F328 HydrophobicContact CB-CZ 3.94Å; P326-F328 HydrophobicContact CG-CD2 4.15Å; P326-F328 HydrophobicContact CG-CE1 4.21Å; P326-F328 HydrophobicContact CG-CE2 3.46Å; P326-F328 VanDerWaalsContact CG-CE2 3.46Å; P326-F328 HydrophobicContact CG-CZ 3.5Å; P326-F328 VanDerWaalsContact CG-CZ 3.5Å; F328-E332 HydrophobicContact CB-CB 4.45Å; F328-E332 HydrophobicContact CD1-CB 4Å; F328-F333 HydrophobicContact CB-CB 4.44Å; F328-F336 HydrophobicContact CD1-CD2 4.18Å; F328-F336 HydrophobicContact CD1-CE2 4.45Å; F328-F336 AromaticContact CE1-CD2 3.83Å; F328-F336 HydrophobicContact CE1-CD2 3.83Å; F328-F336 HydrophobicContact CE1-CE2 4.04Å; F328-F337 HydrophobicContact CD2-CE2 4.1Å; F328-F337 AromaticContact CE2-CE2 3.93Å; F328-F337 HydrophobicContact CE2-CE2 3.93Å; F328-F337 AromaticContact CE2-CZ 3.92Å; F328-F337 HydrophobicContact CE2-CZ 3.92Å; F328-F337 HydrophobicContact CZ-CE2 4.28Å; F328-F337 HydrophobicContact CZ-CZ 4.21Å; F328-Y385 HydrophobicContact CE2-CE1 4.19Å; F328-Y385 HydrophobicContact CE2-CE2 4.21Å; F328-Y385 HydrophobicContact CZ-CE2 4.01Å; F328-Y385 AromaticContact CZ-CZ 3.95Å
329	T	97.8	Very high	98	Very high	68 Å²	68	44.2 Å²	44.2	42%	0.417	21%	0.214	S	C	.	.			trans	-67.6	161.7	157.8	63.5	0	0	0	0	110.3	E331 E332 F333	T329-E331 PolarHBondContact O-N 2.85Å; T329-E332 WeakPolarHBondContact CB-OE2 3.17Å; T329-E332 WeakPolarHBondContact CG2-OE2 3.37Å; T329-E332 PolarHBondContact N-OE2 3.25Å; T329-E332 PolarHBondContact O-N 2.74Å; T329-E332 WeakPolarHBondContact OG1-CB 3.45Å; T329-E332 VanDerWaalsContact OG1-CD 3.3Å; T329-E332 VanDerWaalsContact OG1-CG 3.28Å; T329-E332 WeakPolarHBondContact OG1-CG 3.39Å; T329-E332 PolarHBondContact OG1-N 2.88Å; T329-E332 VanDerWaalsContact OG1-N 3.15Å; T329-E332 PolarHBondContact OG1-OE2 3.3Å; T329-F333 WeakPolarHBondContact O-CB 3.22Å; T329-F333 PolarHBondContact O-N 2.97Å
330	K	97.9	Very high	98	Very high	97 Å²	97	48.5 Å²	48.5	42%	0.422	23%	0.23	S	C	.	.	H	α-helix	trans	-57.9	-34.5	173.7	-172.9	178.5	177.7	-178.6	0	112.6	V308 W312 Q334	V308-K330 HydrophobicContact CG1-CG 4.01Å; W312-K330 HydrophobicContact CD2-CB 3.96Å; W312-K330 HydrophobicContact CD2-CG 4.32Å; W312-K330 HydrophobicContact CE3-CB 3.83Å; W312-K330 HydrophobicContact CE3-CD 4.25Å; W312-K330 HydrophobicContact CE3-CG 3.99Å; W312-K330 HydrophobicContact CH2-CB 4.12Å; W312-K330 HydrophobicContact CZ2-CB 4.24Å; W312-K330 HydrophobicContact CZ3-CB 3.92Å; W312-K330 HydrophobicContact CZ3-CD 4.35Å; W312-K330 HydrophobicContact CZ3-CG 4.37Å; K330-Q334 WeakPolarHBondContact O-CB 3.33Å; K330-Q334 PolarHBondContact O-N 3.16Å
331	E	97.9	Very high	97.9	Very high	135 Å²	135	48 Å²	48	63%	0.631	23%	0.231	S	C	*	.	H	α-helix	trans	-68.9	-46.1	178.2	-170.7	-178.9	172.8	0	0	111.4	P166 T329 Q334 H335	P166-E331 HydrophobicContact CB-CG 4.05Å; P166-E331 HydrophobicContact CG-CB 4.47Å; P166-E331 HydrophobicContact CG-CG 3.79Å; T329-E331 PolarHBondContact O-N 2.85Å; E331-Q334 PolarHBondContact O-N 3.28Å; E331-H335 WeakPolarHBondContact O-CB 3.37Å; E331-H335 PolarHBondContact O-N 2.74Å
332	E	98	Very high	97.8	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-44.9	174.7	-70.8	160.8	142.1	0	0	111.1	P166 F328 T329 Q334 H335 F336	P166-E332 HydrophobicContact CB-CG 4.02Å; P166-E332 HydrophobicContact CG-CG 3.99Å; F328-E332 HydrophobicContact CB-CB 4.45Å; F328-E332 HydrophobicContact CD1-CB 4Å; T329-E332 WeakPolarHBondContact CB-OE2 3.17Å; T329-E332 WeakPolarHBondContact CG2-OE2 3.37Å; T329-E332 PolarHBondContact N-OE2 3.25Å; T329-E332 PolarHBondContact O-N 2.74Å; T329-E332 WeakPolarHBondContact OG1-CB 3.45Å; T329-E332 VanDerWaalsContact OG1-CD 3.3Å; T329-E332 VanDerWaalsContact OG1-CG 3.28Å; T329-E332 WeakPolarHBondContact OG1-CG 3.39Å; T329-E332 PolarHBondContact OG1-N 2.88Å; T329-E332 VanDerWaalsContact OG1-N 3.15Å; T329-E332 PolarHBondContact OG1-OE2 3.3Å; E332-Q334 VanDerWaalsContact C-N 3.32Å; E332-Q334 PolarHBondContact O-N 2.97Å; E332-H335 PolarHBondContact O-N 3.15Å; E332-H335 VanDerWaalsContact O-N 3.1Å; E332-F336 HydrophobicContact CB-CD2 4.15Å; E332-F336 HydrophobicContact CB-CE2 4.13Å; E332-F336 WeakPolarHBondContact O-CD2 3.43Å; E332-F336 PolarHBondContact O-N 3.25Å
333	F	98.3	Very high	97.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-46.3	175.7	-177.6	-84.2	0	0	0	111.2	M303 V308 A311 W312 L315 F328 T329 H335 F336 F337 F359	M303-F333 HydrophobicContact CE-CE1 3.61Å; M303-F333 HydrophobicContact CE-CZ 4.3Å; M303-F333 HydrophobicContact SD-CE1 4.47Å; V308-F333 HydrophobicContact CG1-CD1 4.04Å; V308-F333 HydrophobicContact CG1-CE1 4.49Å; A311-F333 HydrophobicContact CB-CE1 3.99Å; A311-F333 HydrophobicContact CB-CZ 3.66Å; W312-F333 HydrophobicContact CB-CB 4.17Å; W312-F333 HydrophobicContact CB-CD1 3.67Å; W312-F333 HydrophobicContact CB-CD2 3.96Å; W312-F333 HydrophobicContact CB-CE1 3.99Å; W312-F333 HydrophobicContact CB-CE2 4.29Å; W312-F333 HydrophobicContact CB-CG 3.65Å; W312-F333 HydrophobicContact CB-CZ 4.31Å; W312-F333 AromaticContact CD1-CD2 3.83Å; W312-F333 AromaticContact CD1-CG 3.76Å; W312-F333 HydrophobicContact CG-CB 4.04Å; W312-F333 HydrophobicContact CG-CD1 4.44Å; W312-F333 HydrophobicContact CG-CD2 4.3Å; W312-F333 HydrophobicContact CG-CG 4.01Å; L315-F333 HydrophobicContact CB-CD2 4.45Å; L315-F333 HydrophobicContact CB-CE2 3.84Å; L315-F333 HydrophobicContact CD2-CD2 3.89Å; L315-F333 HydrophobicContact CD2-CE2 3.62Å; L315-F333 HydrophobicContact CG-CE2 4.37Å; F328-F333 HydrophobicContact CB-CB 4.44Å; T329-F333 WeakPolarHBondContact O-CB 3.22Å; T329-F333 PolarHBondContact O-N 2.97Å; F333-H335 VanDerWaalsContact C-N 3.3Å; F333-H335 PolarHBondContact O-N 3.38Å; F333-F336 PolarHBondContact O-N 2.91Å; F333-F337 HydrophobicContact CB-CD2 4.22Å; F333-F337 HydrophobicContact CD1-CD2 4.22Å; F333-F337 AromaticContact CD2-CD2 3.28Å; F333-F337 HydrophobicContact CD2-CD2 3.28Å; F333-F337 AromaticContact CD2-CE2 3.62Å; F333-F337 HydrophobicContact CD2-CE2 3.62Å; F333-F337 HydrophobicContact CD2-CG 4.26Å; F333-F337 HydrophobicContact CE1-CB 4.26Å; F333-F337 HydrophobicContact CE1-CD2 4.44Å; F333-F337 HydrophobicContact CE2-CB 4.42Å; F333-F337 AromaticContact CE2-CD2 3.51Å; F333-F337 HydrophobicContact CE2-CD2 3.51Å; F333-F337 AromaticContact CE2-CE2 3.99Å; F333-F337 HydrophobicContact CE2-CE2 3.99Å; F333-F337 HydrophobicContact CE2-CG 4.09Å; F333-F337 AromaticContact CG-CD2 3.66Å; F333-F337 HydrophobicContact CG-CD2 3.66Å; F333-F337 HydrophobicContact CG-CE2 4.29Å; F333-F337 HydrophobicContact CZ-CB 4.18Å; F333-F337 HydrophobicContact CZ-CD2 4.1Å; F333-F337 HydrophobicContact CZ-CG 4.33Å; F333-F337 WeakPolarHBondContact O-CB 3.25Å; F333-F337 VanDerWaalsContact O-CD2 3.24Å; F333-F337 WeakPolarHBondContact O-CD2 3.29Å; F333-F337 PolarHBondContact O-N 2.8Å; F333-F359 HydrophobicContact CE2-CZ 4.49Å; F333-F359 HydrophobicContact CZ-CE2 4.18Å; F333-F359 HydrophobicContact CZ-CZ 4.29Å
334	Q	98.2	Very high	97.8	Very high	86 Å²	86	42.5 Å²	42.5	40%	0.402	21%	0.209	S	C	.	.	H	α-helix	trans	-60	-42.5	176.3	-173	-179.6	-68.9	0	0	111.6	V308 K330 E331 E332 V338	V308-Q334 HydrophobicContact CG1-CB 4.39Å; V308-Q334 HydrophobicContact CG2-CB 4.46Å; V308-Q334 HydrophobicContact CG2-CG 4.28Å; K330-Q334 WeakPolarHBondContact O-CB 3.33Å; K330-Q334 PolarHBondContact O-N 3.16Å; E331-Q334 PolarHBondContact O-N 3.28Å; E332-Q334 VanDerWaalsContact C-N 3.32Å; E332-Q334 PolarHBondContact O-N 2.97Å; Q334-V338 HydrophobicContact CB-CG2 4.47Å; Q334-V338 HydrophobicContact CG-CG2 3.69Å; Q334-V338 VanDerWaalsContact O-CB 3.25Å; Q334-V338 WeakPolarHBondContact O-CB 3.39Å; Q334-V338 VanDerWaalsContact O-CG2 3.24Å; Q334-V338 WeakPolarHBondContact O-CG2 3.39Å; Q334-V338 PolarHBondContact O-N 3.5Å
335	H	98	Very high	97.9	Very high	28 Å²	28	43 Å²	43	13%	0.13	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-44.8	-178.9	178.2	83.8	0	0	0	112.7	W161 K164 P166 E331 E332 F333 R340	W161-H335 AromaticContact CD1-NE2 3.64Å; W161-H335 PolarHBondContact NE1-O 2.8Å; W161-H335 PolarHBondContact O-CE1 3.21Å; W161-H335 VanDerWaalsContact O-CE1 3.3Å; W161-H335 PolarHBondContact O-NE2 2.98Å; K164-H335 PolarHBondContact O-CE1 2.86Å; P166-H335 HydrophobicContact CG-CB 3.99Å; E331-H335 WeakPolarHBondContact O-CB 3.37Å; E331-H335 PolarHBondContact O-N 2.74Å; E332-H335 PolarHBondContact O-N 3.15Å; E332-H335 VanDerWaalsContact O-N 3.1Å; F333-H335 VanDerWaalsContact C-N 3.3Å; F333-H335 PolarHBondContact O-N 3.38Å; H335-R340 PolarHBondContact CE1-NH2 2.91Å; H335-R340 PolarHBondContact ND1-NH2 3.1Å; H335-R340 PolarHBondContact O-NH2 2.87Å
336	F	98	Very high	97.9	Very high	11 Å²	11	42.3 Å²	42.3	5%	0.048	21%	0.208	C	C	.	.	H	α-helix	trans	-81.5	-30.6	-176.1	-69.8	-59.9	0	0	0	113.9	W161 I162 F328 E332 F333 F384	W161-F336 HydrophobicContact CZ2-CB 4.43Å; W161-F336 AromaticContact CZ2-CD1 3.96Å; W161-F336 HydrophobicContact CZ2-CD1 3.96Å; W161-F336 VanDerWaalsContact CZ2-O 3.32Å; W161-F336 WeakPolarHBondContact CZ2-O 3.25Å; I162-F336 HydrophobicContact CD1-CD1 4.3Å; I162-F336 HydrophobicContact CD1-CE1 4.04Å; F328-F336 HydrophobicContact CD1-CD2 4.18Å; F328-F336 HydrophobicContact CD1-CE2 4.45Å; F328-F336 AromaticContact CE1-CD2 3.83Å; F328-F336 HydrophobicContact CE1-CD2 3.83Å; F328-F336 HydrophobicContact CE1-CE2 4.04Å; E332-F336 HydrophobicContact CB-CD2 4.15Å; E332-F336 HydrophobicContact CB-CE2 4.13Å; E332-F336 WeakPolarHBondContact O-CD2 3.43Å; E332-F336 PolarHBondContact O-N 3.25Å; F333-F336 PolarHBondContact O-N 2.91Å; F336-F384 HydrophobicContact CB-CE1 4.21Å
337	F	98.4	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-114.8	-14.7	-169.1	-58.2	-69.7	0	0	0	115.3	M303 L315 F328 F333 P339 S346 F359 F384 Y385	M303-F337 HydrophobicContact SD-CB 4.48Å; L315-F337 HydrophobicContact CD2-CD2 4.31Å; L315-F337 HydrophobicContact CD2-CE1 4.26Å; L315-F337 HydrophobicContact CD2-CE2 3.57Å; L315-F337 HydrophobicContact CD2-CZ 3.53Å; F328-F337 HydrophobicContact CD2-CE2 4.1Å; F328-F337 AromaticContact CE2-CE2 3.93Å; F328-F337 HydrophobicContact CE2-CE2 3.93Å; F328-F337 AromaticContact CE2-CZ 3.92Å; F328-F337 HydrophobicContact CE2-CZ 3.92Å; F328-F337 HydrophobicContact CZ-CE2 4.28Å; F328-F337 HydrophobicContact CZ-CZ 4.21Å; F333-F337 HydrophobicContact CB-CD2 4.22Å; F333-F337 HydrophobicContact CD1-CD2 4.22Å; F333-F337 AromaticContact CD2-CD2 3.28Å; F333-F337 HydrophobicContact CD2-CD2 3.28Å; F333-F337 AromaticContact CD2-CE2 3.62Å; F333-F337 HydrophobicContact CD2-CE2 3.62Å; F333-F337 HydrophobicContact CD2-CG 4.26Å; F333-F337 HydrophobicContact CE1-CB 4.26Å; F333-F337 HydrophobicContact CE1-CD2 4.44Å; F333-F337 HydrophobicContact CE2-CB 4.42Å; F333-F337 AromaticContact CE2-CD2 3.51Å; F333-F337 HydrophobicContact CE2-CD2 3.51Å; F333-F337 AromaticContact CE2-CE2 3.99Å; F333-F337 HydrophobicContact CE2-CE2 3.99Å; F333-F337 HydrophobicContact CE2-CG 4.09Å; F333-F337 AromaticContact CG-CD2 3.66Å; F333-F337 HydrophobicContact CG-CD2 3.66Å; F333-F337 HydrophobicContact CG-CE2 4.29Å; F333-F337 HydrophobicContact CZ-CB 4.18Å; F333-F337 HydrophobicContact CZ-CD2 4.1Å; F333-F337 HydrophobicContact CZ-CG 4.33Å; F333-F337 WeakPolarHBondContact O-CB 3.25Å; F333-F337 VanDerWaalsContact O-CD2 3.24Å; F333-F337 WeakPolarHBondContact O-CD2 3.29Å; F333-F337 PolarHBondContact O-N 2.8Å; F337-P339 WeakPolarHBondContact O-CD 3.38Å; F337-S346 WeakPolarHBondContact O-CB 3.37Å; F337-S346 PolarHBondContact O-OG 3.13Å; F337-F359 HydrophobicContact CB-CE2 4.28Å; F337-F359 HydrophobicContact CB-CZ 3.87Å; F337-F359 HydrophobicContact CD1-CE1 4.05Å; F337-F359 AromaticContact CD1-CZ 3.52Å; F337-F359 HydrophobicContact CD1-CZ 3.52Å; F337-F359 HydrophobicContact CE1-CE1 4.27Å; F337-F359 HydrophobicContact CE1-CZ 4.19Å; F337-F359 HydrophobicContact CG-CE1 4.49Å; F337-F359 AromaticContact CG-CZ 3.77Å; F337-F359 HydrophobicContact CG-CZ 3.77Å; F337-F384 AromaticContact CD1-CD1 3.85Å; F337-F384 HydrophobicContact CD1-CD1 3.85Å; F337-F384 AromaticContact CD1-CE1 3.82Å; F337-F384 HydrophobicContact CD1-CE1 3.82Å; F337-F384 AromaticContact CE1-CD1 3.34Å; F337-F384 HydrophobicContact CE1-CD1 3.34Å; F337-F384 AromaticContact CE1-CE1 3.22Å; F337-F384 HydrophobicContact CE1-CE1 3.22Å; F337-F384 HydrophobicContact CE1-CG 4.34Å; F337-F384 HydrophobicContact CE1-CZ 4.18Å; F337-F384 HydrophobicContact CZ-CD1 4.25Å; F337-F384 AromaticContact CZ-CE1 3.76Å; F337-F384 HydrophobicContact CZ-CE1 3.76Å; F337-F384 HydrophobicContact CZ-CZ 4.34Å; F337-Y385 AromaticContact CE1-CD2 3.55Å; F337-Y385 HydrophobicContact CE1-CD2 3.55Å; F337-Y385 AromaticContact CE1-CG 3.96Å; F337-Y385 HydrophobicContact CE1-CG 3.96Å; F337-Y385 AromaticContact CZ-CD2 3.43Å; F337-Y385 HydrophobicContact CZ-CD2 3.43Å; F337-Y385 VanDerWaalsContact CZ-CD2 3.43Å; F337-Y385 HydrophobicContact CZ-CE2 4.11Å; F337-Y385 AromaticContact CZ-CG 3.82Å; F337-Y385 HydrophobicContact CZ-CG 3.82Å
338	V	98.2	Very high	97.9	Very high	17 Å²	17	39.9 Å²	39.9	10%	0.103	20%	0.195	C	C	.	.	S	Bend	trans	-67.3	124.7	171	173	0	0	0	0	108.7	K305 V308 Q334 R340	K305-V338 HydrophobicContact CG-CG1 3.85Å; K305-V338 HydrophobicContact CG-CG2 4.12Å; V308-V338 HydrophobicContact CG2-CG2 3.8Å; Q334-V338 HydrophobicContact CB-CG2 4.47Å; Q334-V338 HydrophobicContact CG-CG2 3.69Å; Q334-V338 VanDerWaalsContact O-CB 3.25Å; Q334-V338 WeakPolarHBondContact O-CB 3.39Å; Q334-V338 VanDerWaalsContact O-CG2 3.24Å; Q334-V338 WeakPolarHBondContact O-CG2 3.39Å; Q334-V338 PolarHBondContact O-N 3.5Å; V338-R340 PolarHBondContact O-N 3.29Å
339	P	98.2	Very high	98	Very high	24 Å²	24	39.2 Å²	39.2	16%	0.156	19%	0.192	C	C	.	.			trans	-57.4	140.3	-173.5	-28.2	36.4	0	0	0	113.6	Q302 M303 F337 V344	Q302-P339 HydrophobicContact CG-CB 4.31Å; Q302-P339 HydrophobicContact CG-CG 3.85Å; Q302-P339 VanDerWaalsContact NE2-CB 3.26Å; M303-P339 HydrophobicContact CB-CG 4.34Å; M303-P339 WeakPolarHBondContact O-CD 3.32Å; M303-P339 WeakPolarHBondContact O-CG 3.25Å; F337-P339 WeakPolarHBondContact O-CD 3.38Å; P339-V344 CarbonylContact C-O 3.58Å; P339-V344 VanDerWaalsContact CA-O 3.29Å; P339-V344 WeakPolarHBondContact CA-O 3.43Å
340	R	97.7	Very high	97.9	Very high	91 Å²	91	39.2 Å²	39.2	34%	0.343	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-135.8	121.9	173.1	-60.2	-179.9	-160.9	-168.2	6	107.3	W161 H335 V338 D342 V343 V344	W161-R340 VanDerWaalsContact CD1-CZ 3.43Å; H335-R340 PolarHBondContact CE1-NH2 2.91Å; H335-R340 PolarHBondContact ND1-NH2 3.1Å; H335-R340 PolarHBondContact O-NH2 2.87Å; V338-R340 PolarHBondContact O-N 3.29Å; R340-D342 PolarHBondContact O-N 3.33Å; R340-V343 HydrophobicContact CB-CB 4.03Å; R340-V343 PolarHBondContact O-N 2.66Å; R340-V344 HydrophobicContact CB-CG1 4.34Å; R340-V344 HydrophobicContact CG-CG1 4.47Å; R340-V344 PolarHBondContact N-O 3.3Å; R340-V344 PolarHBondContact O-N 2.96Å; R340-V344 VanDerWaalsContact O-O 3.09Å
341	D	96	Very high	97.8	Very high	128 Å²	128	36.3 Å²	36.3	68%	0.684	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	134.8	-176.7	-65.3	-17.2	0	0	0	111	V343	D341-V343 PolarHBondContact O-N 3.48Å; D341-V343 VanDerWaalsContact O-N 3.09Å
342	D	95.6	Very high	97.5	Very high	81 Å²	81	34.2 Å²	34.2	43%	0.433	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	19.6	-177.2	-71.6	-43.7	0	0	0	116.2	R340 Y345 V364 R379	R340-D342 PolarHBondContact O-N 3.33Å; D342-Y345 PolarHBondContact N-OH 3.29Å; D342-Y345 VanDerWaalsContact N-OH 3.1Å; D342-V364 WeakPolarHBondContact O-CB 3.29Å; D342-R379 IonicContact OD1-CZ 3.63Å; D342-R379 IonicContact OD1-NH2 2.78Å; D342-R379 PolarHBondContact OD1-NH2 2.92Å
343	V	97.7	Very high	97.1	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.03	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-59.9	175	176.8	0	0	0	0	111.4	H157 F158 W161 R340 D341 Y363 V364	H157-V343 HydrophobicContact CB-CG2 3.78Å; F158-V343 HydrophobicContact CD2-CG1 4.22Å; W161-V343 HydrophobicContact CB-CG1 3.76Å; W161-V343 HydrophobicContact CD2-CG1 3.4Å; W161-V343 VanDerWaalsContact CD2-CG1 3.4Å; W161-V343 HydrophobicContact CE3-CG1 3.25Å; W161-V343 HydrophobicContact CG-CG1 3.65Å; W161-V343 HydrophobicContact CZ3-CG1 4.03Å; R340-V343 HydrophobicContact CB-CB 4.03Å; R340-V343 PolarHBondContact O-N 2.66Å; D341-V343 PolarHBondContact O-N 3.48Å; D341-V343 VanDerWaalsContact O-N 3.09Å; V343-Y363 CarbonylContact O-C 3.44Å; V343-Y363 WeakPolarHBondContact O-CA 3.37Å; V343-V364 PolarHBondContact O-N 3.46Å
344	V	98.2	Very high	96.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	136	-178.4	63.8	0	0	0	0	110.4	W161 P339 R340	W161-V344 HydrophobicContact CH2-CB 3.94Å; W161-V344 HydrophobicContact CH2-CG1 4.5Å; W161-V344 HydrophobicContact CH2-CG2 4.13Å; W161-V344 HydrophobicContact CZ2-CB 3.89Å; W161-V344 HydrophobicContact CZ2-CG1 3.98Å; W161-V344 HydrophobicContact CZ2-CG2 4.09Å; W161-V344 HydrophobicContact CZ3-CB 4.46Å; P339-V344 CarbonylContact C-O 3.58Å; P339-V344 VanDerWaalsContact CA-O 3.29Å; P339-V344 WeakPolarHBondContact CA-O 3.43Å; R340-V344 HydrophobicContact CB-CG1 4.34Å; R340-V344 HydrophobicContact CG-CG1 4.47Å; R340-V344 PolarHBondContact N-O 3.3Å; R340-V344 PolarHBondContact O-N 2.96Å; R340-V344 VanDerWaalsContact O-O 3.09Å
345	Y	98.5	Very high	96.6	Very high	11 Å²	11	40 Å²	40	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.2	175.3	-62.8	-87.5	0	0	0	109.2	D342 S361 F362 V364 L407 F409	D342-Y345 PolarHBondContact N-OH 3.29Å; D342-Y345 VanDerWaalsContact N-OH 3.1Å; Y345-S361 CarbonylContact O-C 3.54Å; Y345-S361 VanDerWaalsContact O-CA 3.25Å; Y345-S361 WeakPolarHBondContact O-CA 3.47Å; Y345-F362 HydrophobicContact CD2-CD2 4.15Å; Y345-F362 AromaticContact CD2-CE2 3.42Å; Y345-F362 HydrophobicContact CD2-CE2 3.42Å; Y345-F362 VanDerWaalsContact CD2-CE2 3.42Å; Y345-F362 AromaticContact CD2-CZ 3.95Å; Y345-F362 HydrophobicContact CD2-CZ 3.95Å; Y345-F362 HydrophobicContact CE2-CE2 4.31Å; Y345-F362 AromaticContact CG-CE2 3.91Å; Y345-F362 HydrophobicContact CG-CE2 3.91Å; Y345-F362 AromaticContact CG-CZ 3.99Å; Y345-F362 HydrophobicContact CG-CZ 3.99Å; Y345-F362 PolarHBondContact N-O 3.24Å; Y345-F362 PolarHBondContact O-N 2.87Å; Y345-V364 HydrophobicContact CD2-CG2 3.89Å; Y345-V364 HydrophobicContact CE2-CG2 3.59Å; Y345-L407 HydrophobicContact CD1-CD1 3.76Å; Y345-L407 HydrophobicContact CD2-CD1 4.13Å; Y345-L407 HydrophobicContact CE1-CD1 3.71Å; Y345-L407 HydrophobicContact CE1-CD2 4.09Å; Y345-L407 HydrophobicContact CE2-CD1 4.05Å; Y345-L407 HydrophobicContact CG-CD1 3.97Å; Y345-F409 HydrophobicContact CE2-CE2 4.18Å; Y345-F409 HydrophobicContact CE2-CZ 4.15Å
346	S	98.7	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.7	178.1	-55.4	0	0	0	0	109.7	M303 F337 C360 S361	M303-S346 WeakPolarHBondContact CB-O 3.49Å; M303-S346 PolarHBondContact N-O 3.5Å; F337-S346 WeakPolarHBondContact O-CB 3.37Å; F337-S346 PolarHBondContact O-OG 3.13Å; S346-C360 CarbonylContact C-O 3.57Å; S346-C360 WeakPolarHBondContact CA-O 3.3Å; S346-S361 WeakPolarHBondContact OG-CB 3.3Å
347	F	98.7	Very high	96.6	Very high	12 Å²	12	40 Å²	40	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.2	-175.7	-54.7	-97.5	0	0	0	109.3	F300 R301 Q302 F359 C360 F362	F300-F347 HydrophobicContact CD1-CD1 4.41Å; F300-F347 HydrophobicContact CD2-CB 4.48Å; F300-F347 HydrophobicContact CE1-CB 3.98Å; F300-F347 AromaticContact CE1-CD1 3.47Å; F300-F347 HydrophobicContact CE1-CD1 3.47Å; F300-F347 VanDerWaalsContact CE1-CD1 3.47Å; F300-F347 HydrophobicContact CE1-CE1 4.18Å; F300-F347 AromaticContact CE1-CG 3.83Å; F300-F347 HydrophobicContact CE1-CG 3.83Å; F300-F347 HydrophobicContact CE2-CB 3.7Å; F300-F347 HydrophobicContact CE2-CG 4.28Å; F300-F347 HydrophobicContact CZ-CB 3.39Å; F300-F347 AromaticContact CZ-CD1 3.66Å; F300-F347 HydrophobicContact CZ-CD1 3.66Å; F300-F347 HydrophobicContact CZ-CD2 4.18Å; F300-F347 AromaticContact CZ-CG 3.47Å; F300-F347 HydrophobicContact CZ-CG 3.47Å; F300-F347 VanDerWaalsContact CZ-CG 3.47Å; R301-F347 CarbonylContact O-C 3.42Å; R301-F347 VanDerWaalsContact O-CA 3.24Å; R301-F347 WeakPolarHBondContact O-CA 3.24Å; R301-F347 WeakPolarHBondContact O-CB 3.37Å; Q302-F347 HydrophobicContact CB-CD1 4.21Å; Q302-F347 HydrophobicContact CB-CE1 4.2Å; F347-F359 WeakPolarHBondContact O-CA 3.33Å; F347-C360 PolarHBondContact N-O 2.8Å; F347-C360 PolarHBondContact O-N 3.21Å; F347-F362 HydrophobicContact CD2-CE1 4.36Å; F347-F362 HydrophobicContact CE2-CD1 4.22Å; F347-F362 AromaticContact CE2-CE1 3.47Å; F347-F362 HydrophobicContact CE2-CE1 3.47Å; F347-F362 VanDerWaalsContact CE2-CE1 3.47Å; F347-F362 HydrophobicContact CE2-CZ 4.09Å; F347-F362 HydrophobicContact CZ-CE1 4.21Å; F347-F362 HydrophobicContact CZ-CZ 4.48Å
348	V	98.6	Very high	96.6	Very high	1 Å²	1	40 Å²	40	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.2	178.3	-68.8	0	0	0	0	109.7	F300 R301 M303 A311 I356 D358 F359	F300-V348 WeakPolarHBondContact CA-O 3.48Å; R301-V348 HydrophobicContact CG-CG2 4.04Å; R301-V348 PolarHBondContact N-O 3.2Å; R301-V348 PolarHBondContact O-N 3Å; M303-V348 HydrophobicContact CB-CG1 4.12Å; M303-V348 HydrophobicContact CG-CG1 3.99Å; A311-V348 HydrophobicContact CB-CG1 4.49Å; V348-I356 HydrophobicContact CB-CD1 4.03Å; V348-I356 HydrophobicContact CB-CG2 3.86Å; V348-I356 HydrophobicContact CG1-CG2 3.81Å; V348-I356 HydrophobicContact CG2-CD1 3.86Å; V348-D358 VanDerWaalsContact CA-O 3.32Å; V348-D358 WeakPolarHBondContact CA-O 3.32Å; V348-F359 HydrophobicContact CG1-CD2 4.1Å
349	V	98.6	Very high	96.6	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.3	167.8	-179.4	0	0	0	0	108.7	V297 F300 T357 D358 L396	V297-V349 HydrophobicContact CG1-CG1 3.93Å; V297-V349 HydrophobicContact CG1-CG2 3.91Å; F300-V349 HydrophobicContact CB-CG2 4.46Å; F300-V349 HydrophobicContact CD2-CG2 4.04Å; V349-T357 PolarHBondContact O-N 3.17Å; V349-T357 PolarHBondContact O-OG1 2.94Å; V349-D358 HydrophobicContact CB-CB 3.89Å; V349-D358 WeakPolarHBondContact CB-OD2 3.36Å; V349-D358 HydrophobicContact CG2-CB 3.85Å; V349-D358 PolarHBondContact N-O 3.27Å; V349-L396 HydrophobicContact CG2-CD1 3.88Å
350	E	97.5	Very high	96.6	Very high	68 Å²	68	38 Å²	38	32%	0.318	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.8	176.6	-173.4	170.7	-169.8	0	0	110.8	G299 R301 G354 Q355 I356	G299-E350 WeakPolarHBondContact CA-O 3.46Å; G299-E350 PolarHBondContact O-N 3Å; R301-E350 IonicContact CZ-OE2 3.11Å; R301-E350 IonicContact NE-OE2 2.76Å; R301-E350 PolarHBondContact NE-OE2 3.36Å; R301-E350 IonicContact NH2-OE2 2.9Å; R301-E350 PolarHBondContact NH2-OE2 2.98Å; E350-G354 WeakPolarHBondContact OE1-CA 3.19Å; E350-Q355 CarbonylContact C-O 3.58Å; E350-Q355 VanDerWaalsContact CA-O 3.3Å; E350-Q355 WeakPolarHBondContact CA-O 3.33Å; E350-I356 HydrophobicContact CB-CD1 3.98Å; E350-I356 HydrophobicContact CG-CD1 4.24Å
351	S	94.6	Very high	96.6	Very high	37 Å²	37	33.7 Å²	33.7	26%	0.259	20%	0.204	S	C	.	.			trans	-72	166.3	175.3	47.6	0	0	0	0	111.7	D353 G354 Q355	S351-D353 VanDerWaalsContact CB-OD1 3.25Å; S351-D353 WeakPolarHBondContact CB-OD1 3.46Å; S351-D353 PolarHBondContact O-N 3.46Å; S351-D353 VanDerWaalsContact O-N 3.07Å; S351-D353 PolarHBondContact OG-OD1 3.48Å; S351-G354 PolarHBondContact O-N 3.09Å; S351-Q355 PolarHBondContact N-O 3.19Å; S351-Q355 WeakPolarHBondContact OG-CB 3.34Å; S351-Q355 PolarHBondContact OG-N 2.91Å; S351-Q355 PolarHBondContact OG-O 3.15Å
352	G	90.9	Very high	96.8	Very high	91 Å²	91	27.6 Å²	27.6	94%	0.938	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16	-176.2	0	0	0	0	0	115.4
353	D	91.2	Very high	96.9	Very high	115 Å²	115	23.9 Å²	23.9	62%	0.615	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	2.8	174.8	65.5	-17.5	0	0	0	113.4	S351 Q355	S351-D353 VanDerWaalsContact CB-OD1 3.25Å; S351-D353 WeakPolarHBondContact CB-OD1 3.46Å; S351-D353 PolarHBondContact O-N 3.46Å; S351-D353 VanDerWaalsContact O-N 3.07Å; S351-D353 PolarHBondContact OG-OD1 3.48Å; D353-Q355 PolarHBondContact OD1-N 2.94Å; D353-Q355 WeakPolarHBondContact OD2-CG 3.42Å
354	G	90.8	Very high	96.9	Very high	21 Å²	21	24 Å²	24	22%	0.216	15%	0.152	C	C	.	.	S	Bend	trans	82.2	15	178.1	0	0	0	0	0	114.9	K310 E350 S351	K310-G354 PolarHBondContact NZ-O 3.02Å; E350-G354 WeakPolarHBondContact OE1-CA 3.19Å; S351-G354 PolarHBondContact O-N 3.09Å
355	Q	94.7	Very high	96.7	Very high	94 Å²	94	24 Å²	24	44%	0.439	15%	0.152	S	C	.	.			trans	-85.8	147.5	172.4	-57.6	-58	-12.3	0	0	111.9	E350 S351 D353	E350-Q355 CarbonylContact C-O 3.58Å; E350-Q355 VanDerWaalsContact CA-O 3.3Å; E350-Q355 WeakPolarHBondContact CA-O 3.33Å; S351-Q355 PolarHBondContact N-O 3.19Å; S351-Q355 WeakPolarHBondContact OG-CB 3.34Å; S351-Q355 PolarHBondContact OG-N 2.91Å; S351-Q355 PolarHBondContact OG-O 3.15Å; D353-Q355 PolarHBondContact OD1-N 2.94Å; D353-Q355 WeakPolarHBondContact OD2-CG 3.42Å
356	I	97.6	Very high	96.4	Very high	16 Å²	16	24.5 Å²	24.5	8%	0.082	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.5	172.1	-59.4	-52	0	0	0	107.3	K310 L314 V348 E350	K310-I356 HydrophobicContact CB-CB 4.02Å; K310-I356 HydrophobicContact CB-CG1 3.96Å; K310-I356 HydrophobicContact CD-CG1 4.02Å; L314-I356 HydrophobicContact CD2-CG2 4.34Å; V348-I356 HydrophobicContact CB-CD1 4.03Å; V348-I356 HydrophobicContact CB-CG2 3.86Å; V348-I356 HydrophobicContact CG1-CG2 3.81Å; V348-I356 HydrophobicContact CG2-CD1 3.86Å; E350-I356 HydrophobicContact CB-CD1 3.98Å; E350-I356 HydrophobicContact CG-CD1 4.24Å
357	T	97.7	Very high	96	Very high	22 Å²	22	24.6 Å²	24.6	14%	0.135	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-40.4	-174.6	49.8	0	0	0	0	111.7	L314 V349 T389 V390	L314-T357 WeakPolarHBondContact CD2-O 3.25Å; V349-T357 PolarHBondContact O-N 3.17Å; V349-T357 PolarHBondContact O-OG1 2.94Å; T357-T389 WeakPolarHBondContact O-CG2 3.45Å; T357-T389 PolarHBondContact O-OG1 3.27Å; T357-V390 HydrophobicContact CG2-CG2 4Å
358	D	98.4	Very high	95.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.9	-179	-46.7	-78.5	0	0	0	110.4	V348 V349 V387 S388 T389 V390 T391 L396	V348-D358 VanDerWaalsContact CA-O 3.32Å; V348-D358 WeakPolarHBondContact CA-O 3.32Å; V349-D358 HydrophobicContact CB-CB 3.89Å; V349-D358 WeakPolarHBondContact CB-OD2 3.36Å; V349-D358 HydrophobicContact CG2-CB 3.85Å; V349-D358 PolarHBondContact N-O 3.27Å; D358-V387 WeakPolarHBondContact CA-O 3.28Å; D358-V387 WeakPolarHBondContact CB-O 3.49Å; D358-S388 WeakPolarHBondContact OD1-CA 3.38Å; D358-T389 PolarHBondContact OD1-N 3Å; D358-V390 PolarHBondContact OD1-N 2.85Å; D358-T391 PolarHBondContact OD1-N 3.46Å; D358-T391 WeakPolarHBondContact OD2-CB 3.45Å; D358-T391 PolarHBondContact OD2-N 3.34Å; D358-T391 PolarHBondContact OD2-OG1 3.21Å; D358-L396 HydrophobicContact CB-CD1 4.08Å; D358-L396 HydrophobicContact CB-CD2 4.06Å
359	F	98.5	Very high	95	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.4	180	168.5	-96.9	0	0	0	109.8	M303 A311 L314 L315 F333 F337 F347 V348 Y385 N386 V387	M303-F359 HydrophobicContact SD-CD2 4.3Å; M303-F359 HydrophobicContact SD-CE2 3.71Å; A311-F359 HydrophobicContact CB-CD2 4.18Å; L314-F359 HydrophobicContact CD2-CB 4.07Å; L315-F359 HydrophobicContact CD2-CE1 4.38Å; F333-F359 HydrophobicContact CE2-CZ 4.49Å; F333-F359 HydrophobicContact CZ-CE2 4.18Å; F333-F359 HydrophobicContact CZ-CZ 4.29Å; F337-F359 HydrophobicContact CB-CE2 4.28Å; F337-F359 HydrophobicContact CB-CZ 3.87Å; F337-F359 HydrophobicContact CD1-CE1 4.05Å; F337-F359 AromaticContact CD1-CZ 3.52Å; F337-F359 HydrophobicContact CD1-CZ 3.52Å; F337-F359 HydrophobicContact CE1-CE1 4.27Å; F337-F359 HydrophobicContact CE1-CZ 4.19Å; F337-F359 HydrophobicContact CG-CE1 4.49Å; F337-F359 AromaticContact CG-CZ 3.77Å; F337-F359 HydrophobicContact CG-CZ 3.77Å; F347-F359 WeakPolarHBondContact O-CA 3.33Å; V348-F359 HydrophobicContact CG1-CD2 4.1Å; F359-Y385 VanDerWaalsContact CE1-O 3.32Å; F359-Y385 WeakPolarHBondContact CE1-O 3.24Å; F359-N386 CarbonylContact O-C 3.51Å; F359-N386 WeakPolarHBondContact O-CA 3.34Å; F359-V387 HydrophobicContact CB-CB 4.43Å; F359-V387 HydrophobicContact CD1-CG2 4.37Å; F359-V387 PolarHBondContact N-O 2.96Å; F359-V387 PolarHBondContact O-N 3.25Å; F359-V387 VanDerWaalsContact O-O 3.13Å
360	C	98.5	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.8	172.2	62.5	0	0	0	0	111.3	S346 F347 N386 L396 M400	S346-C360 CarbonylContact C-O 3.57Å; S346-C360 WeakPolarHBondContact CA-O 3.3Å; F347-C360 PolarHBondContact N-O 2.8Å; F347-C360 PolarHBondContact O-N 3.21Å; C360-N386 VanDerWaalsContact CA-OD1 3.32Å; C360-N386 WeakPolarHBondContact CA-OD1 3.35Å; C360-N386 HydrophobicContact CB-CB 4.24Å; C360-N386 VanDerWaalsContact CB-OD1 3.22Å; C360-N386 WeakPolarHBondContact CB-OD1 3.34Å; C360-L396 HydrophobicContact CB-CD1 4.45Å; C360-L396 HydrophobicContact CB-CD2 4.44Å; C360-L396 HydrophobicContact CB-CG 4.33Å; C360-M400 HydrophobicContact CB-SD 3.84Å
361	S	98.7	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	152.4	-176.7	60.5	0	0	0	0	112.7	Y345 S346 F384 Y385 N386	Y345-S361 CarbonylContact O-C 3.54Å; Y345-S361 VanDerWaalsContact O-CA 3.25Å; Y345-S361 WeakPolarHBondContact O-CA 3.47Å; S346-S361 WeakPolarHBondContact OG-CB 3.3Å; S361-F384 PolarHBondContact O-N 2.87Å; S361-Y385 PolarHBondContact N-O 3.11Å; S361-Y385 VanDerWaalsContact N-O 3.08Å; S361-Y385 PolarHBondContact OG-N 3.33Å; S361-Y385 PolarHBondContact OG-O 3.26Å; S361-N386 PolarHBondContact N-OD1 3.23Å; S361-N386 PolarHBondContact O-OD1 3.33Å
362	F	98.6	Very high	92.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	149.1	170	62.4	-96.1	0	0	0	111	Y345 F347 A381 Y382 M400 A404 L407 F409 F412	Y345-F362 HydrophobicContact CD2-CD2 4.15Å; Y345-F362 AromaticContact CD2-CE2 3.42Å; Y345-F362 HydrophobicContact CD2-CE2 3.42Å; Y345-F362 VanDerWaalsContact CD2-CE2 3.42Å; Y345-F362 AromaticContact CD2-CZ 3.95Å; Y345-F362 HydrophobicContact CD2-CZ 3.95Å; Y345-F362 HydrophobicContact CE2-CE2 4.31Å; Y345-F362 AromaticContact CG-CE2 3.91Å; Y345-F362 HydrophobicContact CG-CE2 3.91Å; Y345-F362 AromaticContact CG-CZ 3.99Å; Y345-F362 HydrophobicContact CG-CZ 3.99Å; Y345-F362 PolarHBondContact N-O 3.24Å; Y345-F362 PolarHBondContact O-N 2.87Å; F347-F362 HydrophobicContact CD2-CE1 4.36Å; F347-F362 HydrophobicContact CE2-CD1 4.22Å; F347-F362 AromaticContact CE2-CE1 3.47Å; F347-F362 HydrophobicContact CE2-CE1 3.47Å; F347-F362 VanDerWaalsContact CE2-CE1 3.47Å; F347-F362 HydrophobicContact CE2-CZ 4.09Å; F347-F362 HydrophobicContact CZ-CE1 4.21Å; F347-F362 HydrophobicContact CZ-CZ 4.48Å; F362-A381 HydrophobicContact CD2-CB 3.65Å; F362-A381 HydrophobicContact CE2-CB 4.06Å; F362-A381 HydrophobicContact CG-CB 4.25Å; F362-Y382 CarbonylContact C-O 3.58Å; F362-Y382 WeakPolarHBondContact CA-O 3.48Å; F362-Y382 WeakPolarHBondContact CB-O 3.49Å; F362-M400 HydrophobicContact CB-SD 4.45Å; F362-M400 HydrophobicContact CD1-CG 3.48Å; F362-M400 VanDerWaalsContact CD1-CG 3.48Å; F362-M400 HydrophobicContact CD1-SD 3.77Å; F362-M400 HydrophobicContact CE1-CG 3.8Å; F362-A404 HydrophobicContact CE1-CB 4.28Å; F362-A404 HydrophobicContact CE2-CB 4.44Å; F362-A404 HydrophobicContact CZ-CB 3.99Å; F362-L407 HydrophobicContact CZ-CD1 4.01Å; F362-F409 HydrophobicContact CE2-CD2 4.26Å; F362-F409 AromaticContact CE2-CE2 3.72Å; F362-F409 HydrophobicContact CE2-CE2 3.72Å; F362-F409 HydrophobicContact CE2-CZ 4.18Å; F362-F409 HydrophobicContact CZ-CE2 4.38Å; F362-F412 HydrophobicContact CB-CE2 3.8Å; F362-F412 HydrophobicContact CB-CZ 3.82Å; F362-F412 AromaticContact CD1-CE2 3.78Å; F362-F412 HydrophobicContact CD1-CE2 3.78Å; F362-F412 HydrophobicContact CD1-CZ 4.3Å; F362-F412 HydrophobicContact CD2-CE2 4.46Å; F362-F412 HydrophobicContact CE1-CE2 4.4Å; F362-F412 AromaticContact CG-CE2 3.78Å; F362-F412 HydrophobicContact CG-CE2 3.78Å; F362-F412 HydrophobicContact CG-CZ 4.27Å
363	Y	98.2	Very high	91.9	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	162.3	173.9	66.9	-94.8	0	0	0	111.9	F158 V343 L365 A381 Y382 F384 V456 L457 Q458	F158-Y363 AromaticContact CE2-CD2 3.57Å; F158-Y363 HydrophobicContact CE2-CD2 3.57Å; F158-Y363 HydrophobicContact CE2-CE2 4.39Å; F158-Y363 HydrophobicContact CE2-CG 4.18Å; F158-Y363 AromaticContact CZ-CD2 3.58Å; F158-Y363 HydrophobicContact CZ-CD2 3.58Å; F158-Y363 AromaticContact CZ-CE2 4Å; F158-Y363 HydrophobicContact CZ-CE2 4Å; F158-Y363 HydrophobicContact CZ-CG 4.29Å; V343-Y363 CarbonylContact O-C 3.44Å; V343-Y363 WeakPolarHBondContact O-CA 3.37Å; Y363-L365 HydrophobicContact CD2-CB 4.25Å; Y363-L365 HydrophobicContact CE2-CB 4.07Å; Y363-L365 HydrophobicContact CE2-CD2 4.38Å; Y363-A381 WeakPolarHBondContact O-CA 3.26Å; Y363-Y382 HydrophobicContact CD2-CG 4.38Å; Y363-Y382 VanDerWaalsContact CE1-CB 3.47Å; Y363-Y382 HydrophobicContact CE1-CG 4.39Å; Y363-Y382 HydrophobicContact CE2-CD1 4.24Å; Y363-Y382 HydrophobicContact CE2-CD2 4.1Å; Y363-Y382 AromaticContact CE2-CG 3.72Å; Y363-Y382 HydrophobicContact CE2-CG 3.72Å; Y363-Y382 AromaticContact CZ-CD1 3.96Å; Y363-Y382 AromaticContact CZ-CG 3.72Å; Y363-Y382 PolarHBondContact N-O 3.18Å; Y363-Y382 PolarHBondContact O-N 3.05Å; Y363-F384 HydrophobicContact CD1-CB 3.99Å; Y363-F384 AromaticContact CD1-CD2 3.88Å; Y363-F384 HydrophobicContact CD1-CD2 3.88Å; Y363-F384 HydrophobicContact CD1-CG 4.01Å; Y363-F384 HydrophobicContact CE1-CD2 4.1Å; Y363-V456 HydrophobicContact CE1-CG1 4.15Å; Y363-L457 PolarHBondContact OH-O 2.8Å; Y363-Q458 PolarHBondContact OH-OXT 3.05Å
364	V	97.5	Very high	91.6	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.9	-174.3	-179.9	0	0	0	0	109.6	F158 D342 V343 Y345 F409	F158-V364 WeakPolarHBondContact CD2-O 3.48Å; F158-V364 WeakPolarHBondContact CE2-O 2.87Å; D342-V364 WeakPolarHBondContact O-CB 3.29Å; V343-V364 PolarHBondContact O-N 3.46Å; Y345-V364 HydrophobicContact CD2-CG2 3.89Å; Y345-V364 HydrophobicContact CE2-CG2 3.59Å; V364-F409 HydrophobicContact CB-CE1 4.32Å; V364-F409 HydrophobicContact CB-CZ 4.26Å; V364-F409 HydrophobicContact CG1-CE1 3.86Å; V364-F409 HydrophobicContact CG1-CZ 4.05Å; V364-F409 HydrophobicContact CG2-CE1 4.01Å; V364-F409 HydrophobicContact CG2-CZ 3.49Å; V364-F409 VanDerWaalsContact CG2-CZ 3.49Å
365	L	94.6	Very high	91.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	19%	0.19	C	C	.	.			trans	-136.6	93.4	174.5	176.6	57.3	0	0	0	109.3	F152 Y154 Y363 A380 Y382	F152-L365 HydrophobicContact CB-CD1 4.36Å; F152-L365 HydrophobicContact CD1-CD1 4.36Å; F152-L365 HydrophobicContact CD1-CD2 3.77Å; F152-L365 HydrophobicContact CD1-CG 4Å; F152-L365 HydrophobicContact CE1-CD2 3.85Å; F152-L365 HydrophobicContact CE1-CG 4.43Å; F152-L365 HydrophobicContact CG-CD2 4.29Å; F152-L365 HydrophobicContact CZ-CD2 4.4Å; Y154-L365 HydrophobicContact CD1-CD1 3.43Å; Y154-L365 VanDerWaalsContact CD1-CD1 3.43Å; Y154-L365 HydrophobicContact CD2-CD1 4.08Å; Y154-L365 HydrophobicContact CE1-CD1 3.41Å; Y154-L365 VanDerWaalsContact CE1-CD1 3.41Å; Y154-L365 HydrophobicContact CE1-CD2 3.81Å; Y154-L365 HydrophobicContact CE1-CG 4.23Å; Y154-L365 HydrophobicContact CE2-CD1 4.02Å; Y154-L365 HydrophobicContact CG-CD1 3.79Å; Y363-L365 HydrophobicContact CD2-CB 4.25Å; Y363-L365 HydrophobicContact CE2-CB 4.07Å; Y363-L365 HydrophobicContact CE2-CD2 4.38Å; L365-A380 PolarHBondContact N-O 3.02Å; L365-A380 VanDerWaalsContact N-O 3.08Å; L365-A380 WeakPolarHBondContact O-CB 3.08Å; L365-Y382 HydrophobicContact CB-CD2 3.79Å; L365-Y382 HydrophobicContact CB-CE2 3.62Å; L365-Y382 HydrophobicContact CD2-CE2 4.05Å; L365-Y382 HydrophobicContact CG-CE2 4.07Å
366	P	92.5	Very high	91.3	Very high	20 Å²	20	41.6 Å²	41.6	13%	0.13	20%	0.203	C	C	.	.			trans	-70.6	164.2	176.2	28	-27.9	0	0	0	111.2	D153 L378	D153-P366 HydrophobicContact CB-CG 4.19Å; D153-P366 PolarHBondContact N-O 3.19Å; D153-P366 WeakPolarHBondContact O-CD 3.03Å; D153-P366 VanDerWaalsContact O-CG 3.26Å; D153-P366 WeakPolarHBondContact O-CG 3.32Å; P366-L378 CarbonylContact C-O 3.5Å; P366-L378 VanDerWaalsContact CA-O 3.25Å; P366-L378 WeakPolarHBondContact CA-O 3.24Å
367	S	90.4	Very high	91	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133	173.3	-57.6	0	0	0	0	110.2	R151 S377 L378	R151-S367 CarbonylContact O-C 3.52Å; R151-S367 VanDerWaalsContact O-CA 3.22Å; R151-S367 WeakPolarHBondContact O-CA 3.15Å; S367-S377 CarbonylContact O-C 3.59Å; S367-S377 WeakPolarHBondContact O-CA 3.36Å; S367-L378 PolarHBondContact N-O 3.08Å; S367-L378 PolarHBondContact O-N 2.81Å
368	S	88.2	Confident	90.8	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.7	173.2	-58.3	0	0	0	0	110	Y139 F150 R151	Y139-S368 WeakPolarHBondContact CE2-OG 3.15Å; F150-S368 WeakPolarHBondContact CA-O 3.46Å; R151-S368 PolarHBondContact N-O 3.37Å; R151-S368 VanDerWaalsContact N-O 3.14Å; R151-S368 PolarHBondContact O-N 2.9Å
369	V	88.2	Confident	90.6	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	109	178.4	-172.6	0	0	0	0	108.4	F150 C271 S372 N376 L378	F150-V369 HydrophobicContact CD1-CG2 4.09Å; F150-V369 HydrophobicContact CE1-CB 4.47Å; F150-V369 HydrophobicContact CE1-CG1 4.16Å; F150-V369 HydrophobicContact CE1-CG2 3.86Å; C271-V369 HydrophobicContact CB-CG1 4.13Å; C271-V369 HydrophobicContact CB-CG2 4.41Å; V369-S372 VanDerWaalsContact CG1-CB 3.45Å; V369-N376 PolarHBondContact N-O 3.14Å; V369-L378 HydrophobicContact CG2-CB 4.09Å
370	M	80.6	Confident	90.5	Very high	84 Å²	84	44.4 Å²	44.4	41%	0.414	22%	0.215	S	C	.	.	S	Bend	trans	-81.3	-30.4	-167.8	-66.4	-177.7	52.8	0	0	114.1	L149 R151	L149-M370 PolarHBondContact O-N 3.23Å; R151-M370 HydrophobicContact CB-SD 4.39Å; R151-M370 PolarHBondContact NH2-SD 3.17Å
371	K	77.1	Confident	90.5	Very high	135 Å²	135	44.4 Å²	44.4	59%	0.587	22%	0.215	S	C	*	.	S	Bend	trans	-114.5	-5	-170.5	-58.5	-170.3	-162.9	149.5	0	115	D147 H148 L149	D147-K371 PolarHBondContact O-NZ 3.41Å; H148-K371 WeakPolarHBondContact O-CE 3.33Å; L149-K371 HydrophobicContact CD2-CB 4.22Å; L149-K371 HydrophobicContact CD2-CD 3.6Å; L149-K371 HydrophobicContact CD2-CG 4.08Å
372	S	78.3	Confident	90.4	Very high	33 Å²	33	44.7 Å²	44.7	23%	0.231	22%	0.216	C	C	.	.			trans	-80.9	138.5	-179.2	-177.2	0	0	0	0	111.5	V369 Q374 H375	V369-S372 VanDerWaalsContact CG1-CB 3.45Å; S372-Q374 PolarHBondContact OG-N 3.09Å; S372-H375 WeakPolarHBondContact CB-O 3.31Å; S372-H375 PolarHBondContact OG-N 3.42Å
373	K	80	Confident	90.4	Very high	216 Å²	216	45.1 Å²	45.1	94%	0.939	22%	0.219	S	C	*	.	S	Bend	trans	-80.9	-19.6	175.1	-65.1	-175.2	179.6	-178.5	0	113.1
374	Q	85.2	Confident	90.4	Very high	141 Å²	141	45 Å²	45	66%	0.659	22%	0.219	S	C	*	.	S	Bend	trans	-106.8	-31.2	-169.8	-67.8	178.8	-11	0	0	112.7	S372	S372-Q374 PolarHBondContact OG-N 3.09Å
375	H	88.7	Confident	90.5	Very high	42 Å²	42	44.9 Å²	44.9	19%	0.194	22%	0.217	C	C	.	.			trans	-127.5	134.7	-175.4	-58.9	-72.9	0	0	0	109.5	K267 E270 C271 S372	K267-H375 WeakPolarHBondContact CE-ND1 3.4Å; E270-H375 IonicContact OE2-CD2 2.65Å; E270-H375 IonicContact OE2-CE1 2.7Å; E270-H375 IonicContact OE2-NE2 2.82Å; E270-H375 PolarHBondContact OE2-NE2 2.96Å; C271-H375 WeakPolarHBondContact SG-CB 3.46Å; S372-H375 WeakPolarHBondContact CB-O 3.31Å; S372-H375 PolarHBondContact OG-N 3.42Å
376	N	90.7	Very high	90.7	Very high	133 Å²	133	44.9 Å²	44.9	71%	0.711	22%	0.217	S	C	*	.	S	Bend	trans	-103.4	-15.6	176.4	61.9	-8.5	0	0	0	113	V369	V369-N376 PolarHBondContact N-O 3.14Å
377	S	91.2	Very high	90.9	Very high	27 Å²	27	44 Å²	44	19%	0.189	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.2	-176.1	-179.6	0	0	0	0	111.4	K267 S367	K267-S377 WeakPolarHBondContact CE-O 3.36Å; K267-S377 PolarHBondContact NZ-O 2.97Å; S367-S377 CarbonylContact O-C 3.59Å; S367-S377 WeakPolarHBondContact O-CA 3.36Å
378	L	92.3	Very high	91.2	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.4	171.4	-172.5	75.9	0	0	0	108.7	F150 L268 F273 P366 S367 V369 A380 D410 V411	F150-L378 HydrophobicContact CE1-CD2 4.34Å; L268-L378 HydrophobicContact CD2-CD1 3.55Å; L268-L378 HydrophobicContact CD2-CD2 3.99Å; L268-L378 HydrophobicContact CD2-CG 4.3Å; F273-L378 HydrophobicContact CB-CD2 4.42Å; F273-L378 HydrophobicContact CD2-CD2 3.22Å; F273-L378 HydrophobicContact CE2-CD2 3.47Å; F273-L378 VanDerWaalsContact CE2-CD2 3.47Å; F273-L378 HydrophobicContact CG-CD2 3.96Å; F273-L378 HydrophobicContact CZ-CD2 4.44Å; P366-L378 CarbonylContact C-O 3.5Å; P366-L378 VanDerWaalsContact CA-O 3.25Å; P366-L378 WeakPolarHBondContact CA-O 3.24Å; S367-L378 PolarHBondContact N-O 3.08Å; S367-L378 PolarHBondContact O-N 2.81Å; V369-L378 HydrophobicContact CG2-CB 4.09Å; L378-A380 PolarHBondContact O-N 2.88Å; L378-D410 HydrophobicContact CD1-CB 3.57Å; L378-D410 HydrophobicContact CG-CB 4.24Å; L378-V411 HydrophobicContact CD2-CG1 4.19Å
379	R	95.4	Very high	91.7	Very high	68 Å²	68	48.7 Å²	48.7	26%	0.257	24%	0.241	S	C	.	.			trans	-86.9	112.2	177.9	-69.9	-178.1	77.4	-145.3	9.6	109.2	D342 L407 K408 F409 D410	D342-R379 IonicContact OD1-CZ 3.63Å; D342-R379 IonicContact OD1-NH2 2.78Å; D342-R379 PolarHBondContact OD1-NH2 2.92Å; R379-L407 PolarHBondContact NH1-O 2.96Å; R379-K408 PolarHBondContact NH1-O 3.42Å; R379-F409 HydrophobicContact CB-CD1 4.1Å; R379-D410 PolarHBondContact N-OD2 2.87Å; R379-D410 PolarHBondContact O-N 3.42Å
380	A	95.7	Very high	92.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.5	177.1	0	0	0	0	0	111.3	L365 L378 Y382 V411	L365-A380 PolarHBondContact N-O 3.02Å; L365-A380 VanDerWaalsContact N-O 3.08Å; L365-A380 WeakPolarHBondContact O-CB 3.08Å; L378-A380 PolarHBondContact O-N 2.88Å; A380-Y382 HydrophobicContact CB-CD2 4.34Å; A380-Y382 HydrophobicContact CB-CE2 3.72Å; A380-V411 WeakPolarHBondContact CA-O 3.44Å; A380-V411 HydrophobicContact CB-CG1 3.55Å
381	A	97.9	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.4	168.7	0	0	0	0	0	108.7	F362 Y363 A404 F409 V411 F412 N413	F362-A381 HydrophobicContact CD2-CB 3.65Å; F362-A381 HydrophobicContact CE2-CB 4.06Å; F362-A381 HydrophobicContact CG-CB 4.25Å; Y363-A381 WeakPolarHBondContact O-CA 3.26Å; A381-A404 HydrophobicContact CB-CB 4.4Å; A381-F409 HydrophobicContact CB-CB 4.41Å; A381-F409 HydrophobicContact CB-CD1 3.73Å; A381-F409 HydrophobicContact CB-CD2 4.26Å; A381-F409 HydrophobicContact CB-CE1 4.07Å; A381-F409 HydrophobicContact CB-CG 3.86Å; A381-V411 PolarHBondContact N-O 2.93Å; A381-F412 HydrophobicContact CB-CD2 3.55Å; A381-F412 HydrophobicContact CB-CE2 3.87Å; A381-F412 HydrophobicContact CB-CG 4.33Å; A381-F412 CarbonylContact O-C 3.58Å; A381-F412 WeakPolarHBondContact O-CA 3.47Å; A381-N413 PolarHBondContact O-N 3.05Å
382	Y	97.7	Very high	93.8	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	120.3	-179.6	-76.8	-110.6	0	0	0	109.8	M57 F152 Y258 F362 Y363 L365 A380 F384 N413	M57-Y382 HydrophobicContact CE-CD1 4.38Å; M57-Y382 HydrophobicContact CE-CE1 3.29Å; M57-Y382 WeakPolarHBondContact CE-OH 3.16Å; M57-Y382 HydrophobicContact SD-CE1 3.45Å; M57-Y382 WeakPolarHBondContact SD-CE1 3.47Å; M57-Y382 PolarHBondContact SD-OH 3.3Å; M57-Y382 VanDerWaalsContact SD-OH 3.37Å; F152-Y382 WeakPolarHBondContact CE1-OH 3.31Å; Y258-Y382 HydrophobicContact CE1-CE1 4.3Å; F362-Y382 CarbonylContact C-O 3.58Å; F362-Y382 WeakPolarHBondContact CA-O 3.48Å; F362-Y382 WeakPolarHBondContact CB-O 3.49Å; Y363-Y382 HydrophobicContact CD2-CG 4.38Å; Y363-Y382 VanDerWaalsContact CE1-CB 3.47Å; Y363-Y382 HydrophobicContact CE1-CG 4.39Å; Y363-Y382 HydrophobicContact CE2-CD1 4.24Å; Y363-Y382 HydrophobicContact CE2-CD2 4.1Å; Y363-Y382 AromaticContact CE2-CG 3.72Å; Y363-Y382 HydrophobicContact CE2-CG 3.72Å; Y363-Y382 AromaticContact CZ-CD1 3.96Å; Y363-Y382 AromaticContact CZ-CG 3.72Å; Y363-Y382 PolarHBondContact N-O 3.18Å; Y363-Y382 PolarHBondContact O-N 3.05Å; L365-Y382 HydrophobicContact CB-CD2 3.79Å; L365-Y382 HydrophobicContact CB-CE2 3.62Å; L365-Y382 HydrophobicContact CD2-CE2 4.05Å; L365-Y382 HydrophobicContact CG-CE2 4.07Å; A380-Y382 HydrophobicContact CB-CD2 4.34Å; A380-Y382 HydrophobicContact CB-CE2 3.72Å; Y382-F384 PolarHBondContact O-N 3Å; Y382-N413 WeakPolarHBondContact CA-O 3.25Å; Y382-N413 HydrophobicContact CD1-CB 3.9Å; Y382-N413 HydrophobicContact CD2-CB 4.46Å; Y382-N413 HydrophobicContact CE1-CB 3.99Å; Y382-N413 WeakPolarHBondContact CE2-ND2 3.39Å; Y382-N413 HydrophobicContact CG-CB 4.15Å; Y382-N413 PolarHBondContact OH-ND2 2.9Å
383	S	98.4	Very high	94.8	Very high	8 Å²	8	46.9 Å²	46.9	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	126.1	172.9	-173.1	0	0	0	0	110	N386 N413	S383-N386 PolarHBondContact OG-ND2 3.44Å; S383-N413 PolarHBondContact N-O 3.11Å
384	F	98.3	Very high	95.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-102.9	-177	-166.7	-143.9	0	0	0	110.2	W161 F336 F337 S361 Y363 Y382 V456	W161-F384 HydrophobicContact CH2-CE1 4.46Å; W161-F384 HydrophobicContact CZ2-CE1 4.46Å; F336-F384 HydrophobicContact CB-CE1 4.21Å; F337-F384 AromaticContact CD1-CD1 3.85Å; F337-F384 HydrophobicContact CD1-CD1 3.85Å; F337-F384 AromaticContact CD1-CE1 3.82Å; F337-F384 HydrophobicContact CD1-CE1 3.82Å; F337-F384 AromaticContact CE1-CD1 3.34Å; F337-F384 HydrophobicContact CE1-CD1 3.34Å; F337-F384 AromaticContact CE1-CE1 3.22Å; F337-F384 HydrophobicContact CE1-CE1 3.22Å; F337-F384 HydrophobicContact CE1-CG 4.34Å; F337-F384 HydrophobicContact CE1-CZ 4.18Å; F337-F384 HydrophobicContact CZ-CD1 4.25Å; F337-F384 AromaticContact CZ-CE1 3.76Å; F337-F384 HydrophobicContact CZ-CE1 3.76Å; F337-F384 HydrophobicContact CZ-CZ 4.34Å; S361-F384 PolarHBondContact O-N 2.87Å; Y363-F384 HydrophobicContact CD1-CB 3.99Å; Y363-F384 AromaticContact CD1-CD2 3.88Å; Y363-F384 HydrophobicContact CD1-CD2 3.88Å; Y363-F384 HydrophobicContact CD1-CG 4.01Å; Y363-F384 HydrophobicContact CE1-CD2 4.1Å; Y382-F384 PolarHBondContact O-N 3Å; F384-V456 HydrophobicContact CD2-CB 3.87Å; F384-V456 HydrophobicContact CD2-CG1 3.82Å; F384-V456 HydrophobicContact CE2-CB 4.19Å; F384-V456 HydrophobicContact CE2-CG1 4.36Å; F384-V456 WeakPolarHBondContact O-CG2 2.91Å
385	Y	98.5	Very high	96.2	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.7	174.9	-67.9	-95.1	0	0	0	110.9	L315 L319 P326 F328 F337 F359 S361 M418 G454 V456	L315-Y385 HydrophobicContact CD1-CD1 4.11Å; L315-Y385 HydrophobicContact CD1-CG 4.35Å; L315-Y385 HydrophobicContact CD2-CD1 4.48Å; L315-Y385 HydrophobicContact CD2-CG 4.29Å; L319-Y385 HydrophobicContact CD1-CD1 4.27Å; L319-Y385 HydrophobicContact CD1-CE1 4.19Å; L319-Y385 HydrophobicContact CD2-CD1 3.93Å; L319-Y385 HydrophobicContact CD2-CE1 3.92Å; P326-Y385 HydrophobicContact CG-CE1 4.11Å; P326-Y385 WeakPolarHBondContact CG-OH 3.4Å; F328-Y385 HydrophobicContact CE2-CE1 4.19Å; F328-Y385 HydrophobicContact CE2-CE2 4.21Å; F328-Y385 HydrophobicContact CZ-CE2 4.01Å; F328-Y385 AromaticContact CZ-CZ 3.95Å; F337-Y385 AromaticContact CE1-CD2 3.55Å; F337-Y385 HydrophobicContact CE1-CD2 3.55Å; F337-Y385 AromaticContact CE1-CG 3.96Å; F337-Y385 HydrophobicContact CE1-CG 3.96Å; F337-Y385 AromaticContact CZ-CD2 3.43Å; F337-Y385 HydrophobicContact CZ-CD2 3.43Å; F337-Y385 VanDerWaalsContact CZ-CD2 3.43Å; F337-Y385 HydrophobicContact CZ-CE2 4.11Å; F337-Y385 AromaticContact CZ-CG 3.82Å; F337-Y385 HydrophobicContact CZ-CG 3.82Å; F359-Y385 VanDerWaalsContact CE1-O 3.32Å; F359-Y385 WeakPolarHBondContact CE1-O 3.24Å; S361-Y385 PolarHBondContact N-O 3.11Å; S361-Y385 VanDerWaalsContact N-O 3.08Å; S361-Y385 PolarHBondContact OG-N 3.33Å; S361-Y385 PolarHBondContact OG-O 3.26Å; Y385-M418 HydrophobicContact CD1-SD 4.44Å; Y385-G454 WeakPolarHBondContact CE1-O 3.15Å; Y385-V456 HydrophobicContact CE2-CB 4.18Å; Y385-V456 PolarHBondContact OH-N 3Å
386	N	98.4	Very high	96.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.6	-177.1	-49.2	-62.7	0	0	0	109.9	Y318 F359 C360 S361 S383 W393 I397	Y318-N386 WeakPolarHBondContact CE1-O 2.94Å; F359-N386 CarbonylContact O-C 3.51Å; F359-N386 WeakPolarHBondContact O-CA 3.34Å; C360-N386 VanDerWaalsContact CA-OD1 3.32Å; C360-N386 WeakPolarHBondContact CA-OD1 3.35Å; C360-N386 HydrophobicContact CB-CB 4.24Å; C360-N386 VanDerWaalsContact CB-OD1 3.22Å; C360-N386 WeakPolarHBondContact CB-OD1 3.34Å; S361-N386 PolarHBondContact N-OD1 3.23Å; S361-N386 PolarHBondContact O-OD1 3.33Å; S383-N386 PolarHBondContact OG-ND2 3.44Å; N386-W393 HydrophobicContact CB-CH2 4.11Å; N386-W393 HydrophobicContact CB-CZ3 3.72Å; N386-W393 WeakPolarHBondContact O-CH2 3.43Å; N386-I397 HydrophobicContact CB-CD1 4.2Å
387	V	98	Very high	97.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122	179	-171.2	0	0	0	0	108.6	L314 L315 Y318 D358 F359 T389 L396	L314-V387 HydrophobicContact CD1-CG1 4.19Å; L314-V387 HydrophobicContact CD2-CB 4.49Å; L314-V387 HydrophobicContact CD2-CG1 4.41Å; L314-V387 HydrophobicContact CG-CB 4.32Å; L314-V387 HydrophobicContact CG-CG1 3.88Å; L315-V387 HydrophobicContact CB-CG2 4.23Å; L315-V387 HydrophobicContact CD1-CG2 3.67Å; Y318-V387 HydrophobicContact CD1-CG2 3.82Å; Y318-V387 HydrophobicContact CD2-CG1 4.08Å; Y318-V387 HydrophobicContact CG-CB 4.32Å; Y318-V387 HydrophobicContact CG-CG1 3.9Å; Y318-V387 HydrophobicContact CG-CG2 3.87Å; D358-V387 WeakPolarHBondContact CA-O 3.28Å; D358-V387 WeakPolarHBondContact CB-O 3.49Å; F359-V387 HydrophobicContact CB-CB 4.43Å; F359-V387 HydrophobicContact CD1-CG2 4.37Å; F359-V387 PolarHBondContact N-O 2.96Å; F359-V387 PolarHBondContact O-N 3.25Å; F359-V387 VanDerWaalsContact O-O 3.13Å; V387-T389 HydrophobicContact CG1-CG2 4.13Å; V387-L396 WeakPolarHBondContact O-CD2 3.25Å
388	S	97.2	Very high	97.4	Very high	23 Å²	23	25.6 Å²	25.6	16%	0.161	15%	0.148	C	C	.	.			trans	-114.6	124.9	172.2	157.1	0	0	0	0	108.5	D358 T391	D358-S388 WeakPolarHBondContact OD1-CA 3.38Å; S388-T391 WeakPolarHBondContact CB-O 3.5Å; S388-T391 PolarHBondContact OG-O 2.91Å
389	T	96.9	Very high	97.7	Very high	83 Å²	83	25.6 Å²	25.6	51%	0.509	15%	0.148	S	C	.	.	S	Bend	trans	-120.1	-45.6	174.2	69.9	0	0	0	0	112.1	L314 T357 D358 V387	L314-T389 HydrophobicContact CD1-CG2 3.62Å; T357-T389 WeakPolarHBondContact O-CG2 3.45Å; T357-T389 PolarHBondContact O-OG1 3.27Å; D358-T389 PolarHBondContact OD1-N 3Å; V387-T389 HydrophobicContact CG1-CG2 4.13Å
390	V	96.6	Very high	97.9	Very high	106 Å²	106	22.4 Å²	22.4	64%	0.642	14%	0.136	S	C	*	.	S	Bend	trans	-110.1	-45.7	-178.2	177.8	0	0	0	0	110.2	T357 D358	T357-V390 HydrophobicContact CG2-CG2 4Å; D358-V390 PolarHBondContact OD1-N 2.85Å
391	T	97.3	Very high	98	Very high	14 Å²	14	22.4 Å²	22.4	9%	0.086	14%	0.136	C	C	.	.	S	Bend	trans	-78.1	125.5	-178.8	-58.4	0	0	0	0	110	V297 D358 S388 W393 A395 L396	V297-T391 HydrophobicContact CB-CG2 4.44Å; V297-T391 HydrophobicContact CG1-CG2 3.82Å; V297-T391 HydrophobicContact CG2-CG2 3.71Å; D358-T391 PolarHBondContact OD1-N 3.46Å; D358-T391 WeakPolarHBondContact OD2-CB 3.45Å; D358-T391 PolarHBondContact OD2-N 3.34Å; D358-T391 PolarHBondContact OD2-OG1 3.21Å; S388-T391 WeakPolarHBondContact CB-O 3.5Å; S388-T391 PolarHBondContact OG-O 2.91Å; T391-W393 PolarHBondContact O-N 3.12Å; T391-A395 HydrophobicContact CG2-CB 4.01Å; T391-L396 HydrophobicContact CG2-CB 3.93Å
392	P	97.8	Very high	98.1	Very high	87 Å²	87	22.4 Å²	22.4	57%	0.565	14%	0.136	S	C	*	.			trans	-54.8	140.3	176.5	-26.4	34.7	0	0	0	112.8	A395 L396	P392-A395 WeakPolarHBondContact O-CB 3.23Å; P392-A395 PolarHBondContact O-N 3.38Å; P392-L396 PolarHBondContact O-N 3.26Å; P392-L396 VanDerWaalsContact O-N 3.08Å
393	W	98	Very high	98.1	Very high	20 Å²	20	22.4 Å²	22.4	8%	0.076	14%	0.137	C	C	.	.	H	α-helix	trans	-46.2	-52.4	-176.9	-84.4	107.3	0	0	0	114.7	Y318 N386 T391 A395 L396 I397 E419 K422 F423	Y318-W393 HydrophobicContact CE2-CH2 4.32Å; Y318-W393 AromaticContact CE2-CZ2 3.85Å; Y318-W393 HydrophobicContact CE2-CZ2 3.85Å; Y318-W393 AromaticContact CZ-CH2 3.96Å; Y318-W393 AromaticContact CZ-CZ2 3.87Å; Y318-W393 WeakPolarHBondContact OH-CH2 3.17Å; Y318-W393 WeakPolarHBondContact OH-CZ2 3.13Å; N386-W393 HydrophobicContact CB-CH2 4.11Å; N386-W393 HydrophobicContact CB-CZ3 3.72Å; N386-W393 WeakPolarHBondContact O-CH2 3.43Å; T391-W393 PolarHBondContact O-N 3.12Å; W393-A395 VanDerWaalsContact C-N 3.3Å; W393-A395 PolarHBondContact O-N 3.18Å; W393-L396 PolarHBondContact O-N 3.17Å; W393-I397 HydrophobicContact CE3-CD1 4.35Å; W393-I397 HydrophobicContact CE3-CG1 4.2Å; W393-I397 HydrophobicContact CZ3-CD1 4.33Å; W393-I397 WeakPolarHBondContact O-CG1 3.38Å; W393-I397 PolarHBondContact O-N 2.68Å; W393-E419 HydrophobicContact CZ2-CB 4.06Å; W393-E419 VanDerWaalsContact CZ2-OE2 3.32Å; W393-E419 WeakPolarHBondContact CZ2-OE2 3.4Å; W393-E419 PolarHBondContact NE1-OE2 3.31Å; W393-E419 VanDerWaalsContact NE1-OE2 3.14Å; W393-K422 HydrophobicContact CB-CB 4.18Å; W393-K422 HydrophobicContact CG-CB 4.17Å; W393-K422 HydrophobicContact CG-CD 4.07Å; W393-F423 HydrophobicContact CE3-CD1 4.12Å; W393-F423 HydrophobicContact CE3-CE1 4.31Å
394	P	98.1	Very high	98.1	Very high	19 Å²	19	22 Å²	22	12%	0.123	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-37.3	178.5	-24.1	33.9	0	0	0	113.4	Q398 F423 E426 L427	P394-Q398 WeakPolarHBondContact O-CB 3.24Å; P394-Q398 PolarHBondContact O-N 3.49Å; P394-F423 HydrophobicContact CG-CB 4.5Å; P394-E426 HydrophobicContact CB-CG 4.34Å; P394-E426 VanDerWaalsContact CB-OE1 3.23Å; P394-E426 WeakPolarHBondContact CB-OE1 3.31Å; P394-E426 VanDerWaalsContact CG-CD 3.4Å; P394-E426 HydrophobicContact CG-CG 4.43Å; P394-E426 WeakPolarHBondContact CG-OE1 3.33Å; P394-E426 VanDerWaalsContact CG-OE2 3.23Å; P394-E426 WeakPolarHBondContact CG-OE2 3.19Å; P394-L427 HydrophobicContact CB-CD2 4.18Å; P394-L427 HydrophobicContact CB-CG 4.36Å
395	A	98.3	Very high	98.1	Very high	35 Å²	35	25.3 Å²	25.3	29%	0.289	15%	0.149	S	C	.	.	H	α-helix	trans	-68.1	-45.4	-180	0	0	0	0	0	111.6	V297 T391 P392 W393 Q398 D399	V297-A395 HydrophobicContact CG2-CB 4.15Å; T391-A395 HydrophobicContact CG2-CB 4.01Å; P392-A395 WeakPolarHBondContact O-CB 3.23Å; P392-A395 PolarHBondContact O-N 3.38Å; W393-A395 VanDerWaalsContact C-N 3.3Å; W393-A395 PolarHBondContact O-N 3.18Å; A395-Q398 PolarHBondContact O-N 2.98Å; A395-D399 PolarHBondContact O-N 3.45Å
396	L	98.5	Very high	98	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-49.1	177.9	179.3	63.1	0	0	0	111.6	F300 V349 D358 C360 V387 T391 P392 W393 D399 M400	F300-L396 HydrophobicContact CD2-CD1 4.32Å; F300-L396 HydrophobicContact CE2-CD1 4.21Å; V349-L396 HydrophobicContact CG2-CD1 3.88Å; D358-L396 HydrophobicContact CB-CD1 4.08Å; D358-L396 HydrophobicContact CB-CD2 4.06Å; C360-L396 HydrophobicContact CB-CD1 4.45Å; C360-L396 HydrophobicContact CB-CD2 4.44Å; C360-L396 HydrophobicContact CB-CG 4.33Å; V387-L396 WeakPolarHBondContact O-CD2 3.25Å; T391-L396 HydrophobicContact CG2-CB 3.93Å; P392-L396 PolarHBondContact O-N 3.26Å; P392-L396 VanDerWaalsContact O-N 3.08Å; W393-L396 PolarHBondContact O-N 3.17Å; L396-D399 PolarHBondContact O-N 2.97Å; L396-M400 PolarHBondContact O-N 3.48Å
397	I	98.6	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.8	-32.4	-177.9	-57	-63.3	0	0	0	111.1	N386 W393 D399 M400 L401 F423 L427	N386-I397 HydrophobicContact CB-CD1 4.2Å; W393-I397 HydrophobicContact CE3-CD1 4.35Å; W393-I397 HydrophobicContact CE3-CG1 4.2Å; W393-I397 HydrophobicContact CZ3-CD1 4.33Å; W393-I397 WeakPolarHBondContact O-CG1 3.38Å; W393-I397 PolarHBondContact O-N 2.68Å; I397-D399 VanDerWaalsContact C-N 3.31Å; I397-D399 PolarHBondContact O-N 3.08Å; I397-M400 HydrophobicContact CD1-CE 3.49Å; I397-M400 VanDerWaalsContact CD1-CE 3.49Å; I397-M400 HydrophobicContact CG2-CE 3.96Å; I397-M400 WeakPolarHBondContact O-CB 3.31Å; I397-M400 PolarHBondContact O-N 2.93Å; I397-L401 HydrophobicContact CG2-CG 4.45Å; I397-L401 VanDerWaalsContact O-CG 3.32Å; I397-L401 WeakPolarHBondContact O-CG 3.49Å; I397-L401 PolarHBondContact O-N 3.03Å; I397-F423 HydrophobicContact CB-CD1 4.49Å; I397-F423 HydrophobicContact CB-CD2 4.29Å; I397-F423 HydrophobicContact CB-CG 4.23Å; I397-F423 HydrophobicContact CD1-CD1 4.41Å; I397-F423 HydrophobicContact CD1-CE1 4.03Å; I397-F423 HydrophobicContact CD1-CZ 4.29Å; I397-F423 HydrophobicContact CG1-CD1 3.65Å; I397-F423 HydrophobicContact CG1-CD2 4.24Å; I397-F423 HydrophobicContact CG1-CE1 3.75Å; I397-F423 HydrophobicContact CG1-CE2 4.39Å; I397-F423 HydrophobicContact CG1-CG 3.89Å; I397-F423 HydrophobicContact CG1-CZ 4.15Å; I397-F423 HydrophobicContact CG2-CD2 3.81Å; I397-F423 HydrophobicContact CG2-CE2 3.86Å; I397-F423 HydrophobicContact CG2-CG 4.26Å; I397-F423 HydrophobicContact CG2-CZ 4.3Å; I397-L427 HydrophobicContact CB-CD1 3.56Å; I397-L427 HydrophobicContact CG2-CD1 3.52Å
398	Q	98.6	Very high	97.9	Very high	57 Å²	57	39.3 Å²	39.3	27%	0.266	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-43	173.1	-175.9	177.7	-94.7	0	0	111.7	L291 P394 A395 M400 L401 I402 L427	L291-Q398 HydrophobicContact CD2-CG 4.32Å; P394-Q398 WeakPolarHBondContact O-CB 3.24Å; P394-Q398 PolarHBondContact O-N 3.49Å; A395-Q398 PolarHBondContact O-N 2.98Å; Q398-M400 VanDerWaalsContact C-N 3.34Å; Q398-L401 WeakPolarHBondContact O-CB 3.41Å; Q398-L401 PolarHBondContact O-N 3.06Å; Q398-I402 HydrophobicContact CG-CD1 4.16Å; Q398-I402 VanDerWaalsContact O-CG1 3.3Å; Q398-I402 WeakPolarHBondContact O-CG1 3.09Å; Q398-I402 PolarHBondContact O-N 3.22Å; Q398-L427 HydrophobicContact CB-CD2 4.05Å
399	D	98.6	Very high	97.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-37.9	176.7	-83.5	12.4	0	0	0	112.2	P295 L296 V297 F300 A395 L396 I397 L401 I402 S403	P295-D399 WeakPolarHBondContact CA-OD1 3.2Å; P295-D399 HydrophobicContact CB-CB 4.04Å; P295-D399 WeakPolarHBondContact CB-OD2 3.29Å; L296-D399 VanDerWaalsContact N-CG 3.27Å; L296-D399 PolarHBondContact N-OD1 3.16Å; L296-D399 PolarHBondContact N-OD2 2.91Å; V297-D399 WeakPolarHBondContact CA-OD2 3.44Å; V297-D399 WeakPolarHBondContact CB-OD2 3.38Å; V297-D399 WeakPolarHBondContact CG2-OD2 3.37Å; V297-D399 PolarHBondContact N-OD2 3.33Å; F300-D399 HydrophobicContact CD1-CB 4.19Å; F300-D399 HydrophobicContact CD2-CB 3.9Å; F300-D399 HydrophobicContact CE1-CB 4.14Å; F300-D399 HydrophobicContact CE2-CB 3.84Å; F300-D399 HydrophobicContact CG-CB 4.08Å; F300-D399 HydrophobicContact CZ-CB 3.96Å; A395-D399 PolarHBondContact O-N 3.45Å; L396-D399 PolarHBondContact O-N 2.97Å; I397-D399 VanDerWaalsContact C-N 3.31Å; I397-D399 PolarHBondContact O-N 3.08Å; D399-L401 PolarHBondContact O-N 3.03Å; D399-I402 WeakPolarHBondContact O-CB 3.49Å; D399-I402 PolarHBondContact O-N 3.41Å; D399-S403 PolarHBondContact O-N 3.43Å; D399-S403 PolarHBondContact O-OG 3.13Å
400	M	98.3	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-41.5	170.8	-172.1	173.5	56.8	0	0	112.4	C360 F362 L396 I397 Q398 I402 S403 A404 F412	C360-M400 HydrophobicContact CB-SD 3.84Å; F362-M400 HydrophobicContact CB-SD 4.45Å; F362-M400 HydrophobicContact CD1-CG 3.48Å; F362-M400 VanDerWaalsContact CD1-CG 3.48Å; F362-M400 HydrophobicContact CD1-SD 3.77Å; F362-M400 HydrophobicContact CE1-CG 3.8Å; L396-M400 PolarHBondContact O-N 3.48Å; I397-M400 HydrophobicContact CD1-CE 3.49Å; I397-M400 VanDerWaalsContact CD1-CE 3.49Å; I397-M400 HydrophobicContact CG2-CE 3.96Å; I397-M400 WeakPolarHBondContact O-CB 3.31Å; I397-M400 PolarHBondContact O-N 2.93Å; Q398-M400 VanDerWaalsContact C-N 3.34Å; M400-I402 VanDerWaalsContact C-N 3.35Å; M400-S403 PolarHBondContact O-N 3.47Å; M400-A404 PolarHBondContact O-N 3Å; M400-F412 HydrophobicContact CE-CE1 3.91Å; M400-F412 HydrophobicContact CE-CE2 4.28Å; M400-F412 HydrophobicContact CE-CZ 3.39Å; M400-F412 HydrophobicContact CG-CE2 4.12Å; M400-F412 HydrophobicContact CG-CZ 4.14Å; M400-F412 HydrophobicContact SD-CE2 4.39Å; M400-F412 HydrophobicContact SD-CZ 3.88Å
401	L	98.7	Very high	98	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-38.2	174	-66.5	173.9	0	0	0	112.1	R261 L263 L291 I397 Q398 D399 A404 K405 F412 L427 F429	R261-L401 HydrophobicContact CB-CD2 4.36Å; R261-L401 HydrophobicContact CG-CD1 4.03Å; R261-L401 HydrophobicContact CG-CD2 4Å; L263-L401 HydrophobicContact CD2-CB 4.46Å; L263-L401 HydrophobicContact CD2-CD2 4.29Å; L291-L401 HydrophobicContact CD1-CB 3.74Å; I397-L401 HydrophobicContact CG2-CG 4.45Å; I397-L401 VanDerWaalsContact O-CG 3.32Å; I397-L401 WeakPolarHBondContact O-CG 3.49Å; I397-L401 PolarHBondContact O-N 3.03Å; Q398-L401 WeakPolarHBondContact O-CB 3.41Å; Q398-L401 PolarHBondContact O-N 3.06Å; D399-L401 PolarHBondContact O-N 3.03Å; L401-A404 PolarHBondContact O-N 2.85Å; L401-K405 WeakPolarHBondContact O-CB 3.3Å; L401-K405 PolarHBondContact O-N 3.21Å; L401-F412 HydrophobicContact CD2-CB 3.48Å; L401-F412 VanDerWaalsContact CD2-CB 3.48Å; L401-F412 HydrophobicContact CD2-CD1 3.7Å; L401-F412 HydrophobicContact CD2-CD2 3.81Å; L401-F412 HydrophobicContact CD2-CE1 4.37Å; L401-F412 HydrophobicContact CD2-CE2 4.49Å; L401-F412 HydrophobicContact CD2-CG 3.38Å; L401-L427 HydrophobicContact CD1-CB 4.31Å; L401-L427 HydrophobicContact CD1-CD1 4.15Å; L401-F429 HydrophobicContact CD1-CE2 4.11Å; L401-F429 HydrophobicContact CD1-CZ 4.47Å; L401-F429 HydrophobicContact CD2-CE2 4.44Å; L401-F429 HydrophobicContact CD2-CZ 3.99Å
402	I	98.6	Very high	98	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-47.9	175.2	-67.8	160.6	0	0	0	109.7	L291 P292 P295 Q398 D399 M400 A404 K405 Q406	L291-I402 HydrophobicContact CB-CG1 4.12Å; P292-I402 HydrophobicContact CB-CD1 3.88Å; P292-I402 HydrophobicContact CB-CG1 4.45Å; P292-I402 HydrophobicContact CG-CD1 3.84Å; P295-I402 HydrophobicContact CG-CG2 4.3Å; Q398-I402 HydrophobicContact CG-CD1 4.16Å; Q398-I402 VanDerWaalsContact O-CG1 3.3Å; Q398-I402 WeakPolarHBondContact O-CG1 3.09Å; Q398-I402 PolarHBondContact O-N 3.22Å; D399-I402 WeakPolarHBondContact O-CB 3.49Å; D399-I402 PolarHBondContact O-N 3.41Å; M400-I402 VanDerWaalsContact C-N 3.35Å; I402-A404 PolarHBondContact O-N 2.91Å; I402-K405 WeakPolarHBondContact O-CB 3.19Å; I402-K405 PolarHBondContact O-N 3.32Å; I402-K405 VanDerWaalsContact O-N 3.14Å; I402-Q406 HydrophobicContact CG2-CG 4.44Å; I402-Q406 WeakPolarHBondContact O-CG 3.33Å; I402-Q406 PolarHBondContact O-N 2.95Å
403	S	98.3	Very high	98	Very high	6 Å²	6	25 Å²	25	4%	0.042	12%	0.123	C	C	.	.	H	α-helix	trans	-60.3	-43.6	176.3	-66.6	0	0	0	0	112.4	D399 M400 K405 Q406 L407	D399-S403 PolarHBondContact O-N 3.43Å; D399-S403 PolarHBondContact O-OG 3.13Å; M400-S403 PolarHBondContact O-N 3.47Å; S403-K405 VanDerWaalsContact C-N 3.32Å; S403-K405 PolarHBondContact O-N 3.48Å; S403-Q406 PolarHBondContact O-N 3.44Å; S403-L407 WeakPolarHBondContact O-CB 3.38Å; S403-L407 WeakPolarHBondContact O-CG 3.22Å; S403-L407 PolarHBondContact O-N 2.96Å
404	A	98.5	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-42.1	173.8	0	0	0	0	0	111.7	L263 F362 A381 M400 L401 I402 Q406 L407 K408 F409 F412	L263-A404 HydrophobicContact CD1-CB 3.81Å; F362-A404 HydrophobicContact CE1-CB 4.28Å; F362-A404 HydrophobicContact CE2-CB 4.44Å; F362-A404 HydrophobicContact CZ-CB 3.99Å; A381-A404 HydrophobicContact CB-CB 4.4Å; M400-A404 PolarHBondContact O-N 3Å; L401-A404 PolarHBondContact O-N 2.85Å; I402-A404 PolarHBondContact O-N 2.91Å; A404-Q406 PolarHBondContact O-N 3.43Å; A404-L407 CarbonylContact O-C 3.55Å; A404-L407 PolarHBondContact O-N 2.85Å; A404-K408 PolarHBondContact O-N 2.85Å; A404-F409 HydrophobicContact CB-CB 4.27Å; A404-F409 HydrophobicContact CB-CD2 3.94Å; A404-F409 HydrophobicContact CB-CG 4.38Å; A404-F409 WeakPolarHBondContact O-CB 3.39Å; A404-F409 VanDerWaalsContact O-CD2 3.22Å; A404-F409 WeakPolarHBondContact O-CD2 3.41Å; A404-F409 PolarHBondContact O-N 3.26Å; A404-F409 VanDerWaalsContact O-N 3.07Å; A404-F412 HydrophobicContact CB-CD2 3.83Å; A404-F412 HydrophobicContact CB-CE2 4.23Å
405	K	97.9	Very high	97.9	Very high	72 Å²	72	23.9 Å²	23.9	31%	0.313	12%	0.118	S	C	.	.	H	α-helix	trans	-64.4	-40.3	176.1	-175.5	-179.6	173.7	-171.7	0	112.6	L291 L401 I402 S403 L407 K408	L291-K405 HydrophobicContact CB-CD 4.03Å; L291-K405 HydrophobicContact CD1-CB 4.4Å; L291-K405 HydrophobicContact CD1-CD 4.14Å; L291-K405 PolarHBondContact O-NZ 3.41Å; L401-K405 WeakPolarHBondContact O-CB 3.3Å; L401-K405 PolarHBondContact O-N 3.21Å; I402-K405 WeakPolarHBondContact O-CB 3.19Å; I402-K405 PolarHBondContact O-N 3.32Å; I402-K405 VanDerWaalsContact O-N 3.14Å; S403-K405 VanDerWaalsContact C-N 3.32Å; S403-K405 PolarHBondContact O-N 3.48Å; K405-L407 VanDerWaalsContact C-N 3.28Å; K405-L407 PolarHBondContact O-N 3.28Å; K405-K408 PolarHBondContact O-N 2.76Å
406	Q	97.4	Very high	97.8	Very high	92 Å²	92	24.4 Å²	24.4	43%	0.43	12%	0.115	S	C	.	.	H	α-helix	trans	-60.4	-40.4	175	-72.4	174.1	-17.2	0	0	111.3	E293 I402 S403 A404 K408	E293-Q406 PolarHBondContact O-NE2 3.1Å; I402-Q406 HydrophobicContact CG2-CG 4.44Å; I402-Q406 WeakPolarHBondContact O-CG 3.33Å; I402-Q406 PolarHBondContact O-N 2.95Å; S403-Q406 PolarHBondContact O-N 3.44Å; A404-Q406 PolarHBondContact O-N 3.43Å; Q406-K408 PolarHBondContact O-N 2.88Å
407	L	97.2	Very high	97.8	Very high	57 Å²	57	24.4 Å²	24.4	30%	0.298	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	7	174.6	-67.2	167.3	0	0	0	114.1	Y345 F362 R379 S403 A404 K405 F409	Y345-L407 HydrophobicContact CD1-CD1 3.76Å; Y345-L407 HydrophobicContact CD2-CD1 4.13Å; Y345-L407 HydrophobicContact CE1-CD1 3.71Å; Y345-L407 HydrophobicContact CE1-CD2 4.09Å; Y345-L407 HydrophobicContact CE2-CD1 4.05Å; Y345-L407 HydrophobicContact CG-CD1 3.97Å; F362-L407 HydrophobicContact CZ-CD1 4.01Å; R379-L407 PolarHBondContact NH1-O 2.96Å; S403-L407 WeakPolarHBondContact O-CB 3.38Å; S403-L407 WeakPolarHBondContact O-CG 3.22Å; S403-L407 PolarHBondContact O-N 2.96Å; A404-L407 CarbonylContact O-C 3.55Å; A404-L407 PolarHBondContact O-N 2.85Å; K405-L407 VanDerWaalsContact C-N 3.28Å; K405-L407 PolarHBondContact O-N 3.28Å; L407-F409 HydrophobicContact CB-CD2 3.83Å; L407-F409 HydrophobicContact CB-CE2 3.71Å; L407-F409 HydrophobicContact CD1-CE2 4.25Å
408	K	97	Very high	97.7	Very high	151 Å²	151	24.6 Å²	24.6	66%	0.657	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	37.6	175.8	-44.1	-58.6	179.8	-174.9	0	113.9	R379 A404 K405 Q406	R379-K408 PolarHBondContact NH1-O 3.42Å; A404-K408 PolarHBondContact O-N 2.85Å; K405-K408 PolarHBondContact O-N 2.76Å; Q406-K408 PolarHBondContact O-N 2.88Å
409	F	97.9	Very high	97.7	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.018	12%	0.115	C	C	.	.			trans	-73.8	145.9	164.4	-72.8	-80	0	0	0	111	L263 Y345 F362 V364 R379 A381 A404 L407	L263-F409 WeakPolarHBondContact CB-O 3.32Å; L263-F409 HydrophobicContact CD1-CB 3.72Å; Y345-F409 HydrophobicContact CE2-CE2 4.18Å; Y345-F409 HydrophobicContact CE2-CZ 4.15Å; F362-F409 HydrophobicContact CE2-CD2 4.26Å; F362-F409 AromaticContact CE2-CE2 3.72Å; F362-F409 HydrophobicContact CE2-CE2 3.72Å; F362-F409 HydrophobicContact CE2-CZ 4.18Å; F362-F409 HydrophobicContact CZ-CE2 4.38Å; V364-F409 HydrophobicContact CB-CE1 4.32Å; V364-F409 HydrophobicContact CB-CZ 4.26Å; V364-F409 HydrophobicContact CG1-CE1 3.86Å; V364-F409 HydrophobicContact CG1-CZ 4.05Å; V364-F409 HydrophobicContact CG2-CE1 4.01Å; V364-F409 HydrophobicContact CG2-CZ 3.49Å; V364-F409 VanDerWaalsContact CG2-CZ 3.49Å; R379-F409 HydrophobicContact CB-CD1 4.1Å; A381-F409 HydrophobicContact CB-CB 4.41Å; A381-F409 HydrophobicContact CB-CD1 3.73Å; A381-F409 HydrophobicContact CB-CD2 4.26Å; A381-F409 HydrophobicContact CB-CE1 4.07Å; A381-F409 HydrophobicContact CB-CG 3.86Å; A404-F409 HydrophobicContact CB-CB 4.27Å; A404-F409 HydrophobicContact CB-CD2 3.94Å; A404-F409 HydrophobicContact CB-CG 4.38Å; A404-F409 WeakPolarHBondContact O-CB 3.39Å; A404-F409 VanDerWaalsContact O-CD2 3.22Å; A404-F409 WeakPolarHBondContact O-CD2 3.41Å; A404-F409 PolarHBondContact O-N 3.26Å; A404-F409 VanDerWaalsContact O-N 3.07Å; L407-F409 HydrophobicContact CB-CD2 3.83Å; L407-F409 HydrophobicContact CB-CE2 3.71Å; L407-F409 HydrophobicContact CD1-CE2 4.25Å
410	D	97.2	Very high	97.7	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.043	12%	0.115	C	C	.	.	S	Bend	trans	-93.5	-31.6	-178.8	-62.7	-51.7	0	0	0	112.2	L263 N264 K267 L268 L378 R379	L263-D410 CarbonylContact C-O 3.54Å; L263-D410 WeakPolarHBondContact CA-O 2.97Å; L263-D410 WeakPolarHBondContact CB-O 3.46Å; L263-D410 PolarHBondContact N-O 3Å; N264-D410 HydrophobicContact CB-CB 4.11Å; N264-D410 WeakPolarHBondContact CB-OD1 3.48Å; N264-D410 PolarHBondContact N-O 3.48Å; N264-D410 PolarHBondContact ND2-OD1 3.14Å; K267-D410 WeakPolarHBondContact CD-OD1 3.34Å; K267-D410 WeakPolarHBondContact CE-OD2 3.39Å; K267-D410 IonicContact NZ-OD1 3.48Å; K267-D410 IonicContact NZ-OD2 2.65Å; K267-D410 PolarHBondContact NZ-OD2 2.96Å; L268-D410 WeakPolarHBondContact CD1-O 3.44Å; L268-D410 HydrophobicContact CD2-CB 4.38Å; L378-D410 HydrophobicContact CD1-CB 3.57Å; L378-D410 HydrophobicContact CG-CB 4.24Å; R379-D410 PolarHBondContact N-OD2 2.87Å; R379-D410 PolarHBondContact O-N 3.42Å
411	V	96.8	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.3	178.8	63.4	0	0	0	0	110.1	H260 L268 F273 L378 A380 A381 N413	H260-V411 HydrophobicContact CB-CG2 4.14Å; L268-V411 HydrophobicContact CD1-CB 4.28Å; L268-V411 HydrophobicContact CD2-CB 3.95Å; L268-V411 HydrophobicContact CD2-CG1 4.34Å; F273-V411 HydrophobicContact CE1-CB 4.48Å; F273-V411 HydrophobicContact CE1-CG2 3.96Å; F273-V411 HydrophobicContact CE2-CG1 4.33Å; F273-V411 HydrophobicContact CZ-CB 4.36Å; F273-V411 HydrophobicContact CZ-CG1 4.02Å; F273-V411 HydrophobicContact CZ-CG2 3.94Å; L378-V411 HydrophobicContact CD2-CG1 4.19Å; A380-V411 WeakPolarHBondContact CA-O 3.44Å; A380-V411 HydrophobicContact CB-CG1 3.55Å; A381-V411 PolarHBondContact N-O 2.93Å; V411-N413 WeakPolarHBondContact CG2-OD1 3.45Å
412	F	98	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	171.5	-163.3	-79.6	0	0	0	109.6	R261 L263 F362 A381 M400 L401 A404 F429	R261-F412 HydrophobicContact CB-CB 4.23Å; R261-F412 PolarHBondContact N-O 3.11Å; R261-F412 PolarHBondContact O-N 3.43Å; L263-F412 HydrophobicContact CD1-CB 4.11Å; L263-F412 HydrophobicContact CG-CB 4.32Å; F362-F412 HydrophobicContact CB-CE2 3.8Å; F362-F412 HydrophobicContact CB-CZ 3.82Å; F362-F412 AromaticContact CD1-CE2 3.78Å; F362-F412 HydrophobicContact CD1-CE2 3.78Å; F362-F412 HydrophobicContact CD1-CZ 4.3Å; F362-F412 HydrophobicContact CD2-CE2 4.46Å; F362-F412 HydrophobicContact CE1-CE2 4.4Å; F362-F412 AromaticContact CG-CE2 3.78Å; F362-F412 HydrophobicContact CG-CE2 3.78Å; F362-F412 HydrophobicContact CG-CZ 4.27Å; A381-F412 HydrophobicContact CB-CD2 3.55Å; A381-F412 HydrophobicContact CB-CE2 3.87Å; A381-F412 HydrophobicContact CB-CG 4.33Å; A381-F412 CarbonylContact O-C 3.58Å; A381-F412 WeakPolarHBondContact O-CA 3.47Å; M400-F412 HydrophobicContact CE-CE1 3.91Å; M400-F412 HydrophobicContact CE-CE2 4.28Å; M400-F412 HydrophobicContact CE-CZ 3.39Å; M400-F412 HydrophobicContact CG-CE2 4.12Å; M400-F412 HydrophobicContact CG-CZ 4.14Å; M400-F412 HydrophobicContact SD-CE2 4.39Å; M400-F412 HydrophobicContact SD-CZ 3.88Å; L401-F412 HydrophobicContact CD2-CB 3.48Å; L401-F412 VanDerWaalsContact CD2-CB 3.48Å; L401-F412 HydrophobicContact CD2-CD1 3.7Å; L401-F412 HydrophobicContact CD2-CD2 3.81Å; L401-F412 HydrophobicContact CD2-CE1 4.37Å; L401-F412 HydrophobicContact CD2-CE2 4.49Å; L401-F412 HydrophobicContact CD2-CG 3.38Å; A404-F412 HydrophobicContact CB-CD2 3.83Å; A404-F412 HydrophobicContact CB-CE2 4.23Å; F412-F429 AromaticContact CD1-CE1 3.91Å; F412-F429 HydrophobicContact CD1-CE1 3.91Å; F412-F429 AromaticContact CD1-CZ 3.83Å; F412-F429 HydrophobicContact CD1-CZ 3.83Å; F412-F429 HydrophobicContact CE1-CZ 4.42Å
413	N	96.9	Very high	97.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.6	-176.1	-63.2	-26.7	0	0	0	110.1	M57 W259 H260 A381 Y382 S383 V411	M57-N413 HydrophobicContact CE-CB 4.12Å; M57-N413 WeakPolarHBondContact CE-ND2 3.29Å; W259-N413 WeakPolarHBondContact O-CA 3.26Å; H260-N413 PolarHBondContact ND1-OD1 3.28Å; A381-N413 PolarHBondContact O-N 3.05Å; Y382-N413 WeakPolarHBondContact CA-O 3.25Å; Y382-N413 HydrophobicContact CD1-CB 3.9Å; Y382-N413 HydrophobicContact CD2-CB 4.46Å; Y382-N413 HydrophobicContact CE1-CB 3.99Å; Y382-N413 WeakPolarHBondContact CE2-ND2 3.39Å; Y382-N413 HydrophobicContact CG-CB 4.15Å; Y382-N413 PolarHBondContact OH-ND2 2.9Å; S383-N413 PolarHBondContact N-O 3.11Å; V411-N413 WeakPolarHBondContact CG2-OD1 3.45Å
414	A	97.4	Very high	97.5	Very high	3 Å²	3	31.9 Å²	31.9	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.9	172.5	0	0	0	0	0	109.5	Y258 W259 L424 F429	Y258-A414 CarbonylContact C-O 3.53Å; W259-A414 PolarHBondContact N-O 3.17Å; W259-A414 PolarHBondContact O-N 3.37Å; A414-L424 HydrophobicContact CB-CD2 4.05Å; A414-F429 HydrophobicContact CB-CD1 4.4Å; A414-F429 HydrophobicContact CB-CE1 3.94Å
415	L	97	Very high	97.4	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	162.1	165.9	-72.7	164.8	0	0	0	109.2	C256 R257 Y258 L417 N420 L436	C256-L415 HydrophobicContact CB-CB 4.31Å; C256-L415 HydrophobicContact CB-CD2 4.01Å; R257-L415 CarbonylContact O-C 3.44Å; R257-L415 WeakPolarHBondContact O-CA 3.32Å; Y258-L415 HydrophobicContact CD1-CD2 3.54Å; Y258-L415 HydrophobicContact CD1-CG 3.97Å; Y258-L415 HydrophobicContact CD2-CD2 4.01Å; Y258-L415 HydrophobicContact CE1-CD1 4.33Å; Y258-L415 HydrophobicContact CE1-CD2 3.58Å; Y258-L415 HydrophobicContact CE1-CG 3.79Å; Y258-L415 HydrophobicContact CE2-CD2 4.06Å; Y258-L415 HydrophobicContact CG-CD2 3.76Å; L415-L417 HydrophobicContact CB-CB 4.49Å; L415-L417 HydrophobicContact CB-CD2 3.65Å; L415-L417 HydrophobicContact CB-CG 3.66Å; L415-L417 HydrophobicContact CD1-CD2 3.53Å; L415-L417 HydrophobicContact CD1-CG 4.47Å; L415-L417 HydrophobicContact CG-CD2 4.24Å; L415-L417 PolarHBondContact O-N 2.98Å; L415-N420 VanDerWaalsContact O-CB 3.27Å; L415-N420 WeakPolarHBondContact O-CB 3.36Å; L415-N420 PolarHBondContact O-ND2 3.31Å; L415-L436 HydrophobicContact CD1-CD2 3.58Å; L415-L436 HydrophobicContact CD2-CB 3.96Å; L415-L436 HydrophobicContact CD2-CD2 4.38Å
416	D	97.2	Very high	97.4	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.241	21%	0.213	C	C	.	.	S	Bend	trans	-81.4	19.5	172.7	64.7	-11.2	0	0	0	114.4	C256 R257 L424	C256-D416 WeakPolarHBondContact CA-OD1 3.34Å; C256-D416 VanDerWaalsContact CB-OD1 3.31Å; C256-D416 WeakPolarHBondContact CB-OD1 3.21Å; R257-D416 WeakPolarHBondContact CB-OD2 3.23Å; R257-D416 PolarHBondContact N-OD1 3.08Å; R257-D416 PolarHBondContact N-OD2 3.26Å; R257-D416 PolarHBondContact O-N 3.4Å; D416-L424 HydrophobicContact CB-CD1 4.29Å
417	L	97.2	Very high	97.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.196	C	C	.	.			trans	-81.1	171.6	177.2	59.7	78.5	0	0	0	113.5	L415 E419 N420 Y438 P450 I453 I455 V456	L415-L417 HydrophobicContact CB-CB 4.49Å; L415-L417 HydrophobicContact CB-CD2 3.65Å; L415-L417 HydrophobicContact CB-CG 3.66Å; L415-L417 HydrophobicContact CD1-CD2 3.53Å; L415-L417 HydrophobicContact CD1-CG 4.47Å; L415-L417 HydrophobicContact CG-CD2 4.24Å; L415-L417 PolarHBondContact O-N 2.98Å; L417-E419 PolarHBondContact O-N 3.19Å; L417-N420 WeakPolarHBondContact O-CB 3.49Å; L417-N420 PolarHBondContact O-N 3.45Å; L417-N420 VanDerWaalsContact O-N 3.09Å; L417-N420 PolarHBondContact O-ND2 2.96Å; L417-Y438 WeakPolarHBondContact CD2-OH 3.37Å; L417-P450 WeakPolarHBondContact CA-O 3.25Å; L417-P450 WeakPolarHBondContact CB-O 3.39Å; L417-I453 HydrophobicContact CB-CB 4.3Å; L417-I453 HydrophobicContact CB-CG2 4.4Å; L417-I453 HydrophobicContact CD2-CG2 4.41Å; L417-I455 WeakPolarHBondContact CD2-O 3.33Å; L417-V456 HydrophobicContact CD1-CG2 3.94Å; L417-V456 HydrophobicContact CD2-CG2 4.28Å
418	M	98.1	Very high	97.4	Very high	4 Å²	4	40 Å²	40	2%	0.02	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-136.1	-175	-65.8	-177.6	-79.6	0	0	111.3	Y318 L319 F322 Y385 N420 P450 S451 I453 V456	Y318-M418 HydrophobicContact CE1-SD 4.02Å; L319-M418 HydrophobicContact CD2-SD 4.36Å; F322-M418 HydrophobicContact CD1-CG 4.5Å; F322-M418 HydrophobicContact CD2-CG 4.24Å; F322-M418 HydrophobicContact CE1-CB 3.88Å; F322-M418 HydrophobicContact CE1-CG 4.11Å; F322-M418 HydrophobicContact CE2-CB 4.24Å; F322-M418 HydrophobicContact CE2-CG 3.84Å; F322-M418 HydrophobicContact CE2-SD 4.18Å; F322-M418 HydrophobicContact CZ-CB 3.66Å; F322-M418 HydrophobicContact CZ-CG 3.77Å; F322-M418 HydrophobicContact CZ-SD 4.49Å; Y385-M418 HydrophobicContact CD1-SD 4.44Å; M418-N420 VanDerWaalsContact C-N 3.33Å; M418-P450 PolarHBondContact N-O 2.85Å; M418-S451 VanDerWaalsContact O-CA 3.26Å; M418-S451 WeakPolarHBondContact O-CA 3.27Å; M418-I453 WeakPolarHBondContact CG-O 3.44Å; M418-I453 PolarHBondContact N-O 3.26Å; M418-V456 HydrophobicContact CE-CG2 3.95Å
419	E	97.6	Very high	97.4	Very high	50 Å²	50	33.3 Å²	33.3	23%	0.234	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	18.5	176.6	-55.9	-164	122.9	0	0	112.7	Y318 F322 W393 L417 G421 K422	Y318-E419 HydrophobicContact CE2-CG 4.36Å; Y318-E419 WeakPolarHBondContact OH-CG 3.2Å; F322-E419 HydrophobicContact CE1-CG 4.29Å; F322-E419 HydrophobicContact CZ-CG 4.18Å; W393-E419 HydrophobicContact CZ2-CB 4.06Å; W393-E419 VanDerWaalsContact CZ2-OE2 3.32Å; W393-E419 WeakPolarHBondContact CZ2-OE2 3.4Å; W393-E419 PolarHBondContact NE1-OE2 3.31Å; W393-E419 VanDerWaalsContact NE1-OE2 3.14Å; L417-E419 PolarHBondContact O-N 3.19Å; E419-G421 PolarHBondContact O-N 2.59Å; E419-G421 VanDerWaalsContact O-N 3.13Å; E419-K422 HydrophobicContact CB-CD 3.96Å; E419-K422 HydrophobicContact CB-CG 4.33Å; E419-K422 VanDerWaalsContact O-CB 3.31Å; E419-K422 WeakPolarHBondContact O-CB 3.37Å; E419-K422 WeakPolarHBondContact O-CG 3.21Å; E419-K422 PolarHBondContact O-N 2.95Å; E419-K422 VanDerWaalsContact OE1-CE 3.32Å; E419-K422 WeakPolarHBondContact OE1-CE 3.45Å; E419-K422 IonicContact OE1-NZ 2.61Å; E419-K422 PolarHBondContact OE1-NZ 2.81Å; E419-K422 IonicContact OE2-NZ 2.84Å; E419-K422 PolarHBondContact OE2-NZ 3.36Å
420	N	98	Very high	97.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.1	-30.3	-174.9	-69.3	-13.3	0	0	0	112.7	L415 L417 M418 K422 F423 L424	L415-N420 VanDerWaalsContact O-CB 3.27Å; L415-N420 WeakPolarHBondContact O-CB 3.36Å; L415-N420 PolarHBondContact O-ND2 3.31Å; L417-N420 WeakPolarHBondContact O-CB 3.49Å; L417-N420 PolarHBondContact O-N 3.45Å; L417-N420 VanDerWaalsContact O-N 3.09Å; L417-N420 PolarHBondContact O-ND2 2.96Å; M418-N420 VanDerWaalsContact C-N 3.33Å; N420-K422 PolarHBondContact O-N 3.03Å; N420-F423 VanDerWaalsContact CA-CE1 3.41Å; N420-F423 HydrophobicContact CB-CE1 3.88Å; N420-F423 HydrophobicContact CB-CE2 4.49Å; N420-F423 HydrophobicContact CB-CZ 3.7Å; N420-F423 WeakPolarHBondContact O-CD1 3.31Å; N420-F423 PolarHBondContact O-N 3.49Å; N420-F423 WeakPolarHBondContact OD1-CE1 3.49Å; N420-F423 WeakPolarHBondContact OD1-CZ 3.3Å; N420-L424 HydrophobicContact CB-CD1 4.17Å; N420-L424 HydrophobicContact CB-CG 4.42Å; N420-L424 VanDerWaalsContact O-CG 3.27Å; N420-L424 WeakPolarHBondContact O-CG 3.3Å; N420-L424 PolarHBondContact O-N 2.84Å
421	G	97	Very high	96.9	Very high	59 Å²	59	39.5 Å²	39.5	61%	0.608	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-52.5	-22.8	172.7	0	0	0	0	0	114.7	E419 F423	E419-G421 PolarHBondContact O-N 2.59Å; E419-G421 VanDerWaalsContact O-N 3.13Å; G421-F423 VanDerWaalsContact C-N 3.27Å; G421-F423 PolarHBondContact O-N 2.83Å
422	K	97.7	Very high	96.4	Very high	105 Å²	105	39.8 Å²	39.8	46%	0.457	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-70.1	-16.6	178.3	-65.4	-176.2	-177.6	173.7	0	114.6	W393 E419 N420	W393-K422 HydrophobicContact CB-CB 4.18Å; W393-K422 HydrophobicContact CG-CB 4.17Å; W393-K422 HydrophobicContact CG-CD 4.07Å; E419-K422 HydrophobicContact CB-CD 3.96Å; E419-K422 HydrophobicContact CB-CG 4.33Å; E419-K422 VanDerWaalsContact O-CB 3.31Å; E419-K422 WeakPolarHBondContact O-CB 3.37Å; E419-K422 WeakPolarHBondContact O-CG 3.21Å; E419-K422 PolarHBondContact O-N 2.95Å; E419-K422 VanDerWaalsContact OE1-CE 3.32Å; E419-K422 WeakPolarHBondContact OE1-CE 3.45Å; E419-K422 IonicContact OE1-NZ 2.61Å; E419-K422 PolarHBondContact OE1-NZ 2.81Å; E419-K422 IonicContact OE2-NZ 2.84Å; E419-K422 PolarHBondContact OE2-NZ 3.36Å; N420-K422 PolarHBondContact O-N 3.03Å
423	F	98	Very high	95.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-17.2	-176.4	64.7	-105.3	0	0	0	114.6	W393 P394 I397 N420 G421 E425 E426 L427 F429	W393-F423 HydrophobicContact CE3-CD1 4.12Å; W393-F423 HydrophobicContact CE3-CE1 4.31Å; P394-F423 HydrophobicContact CG-CB 4.5Å; I397-F423 HydrophobicContact CB-CD1 4.49Å; I397-F423 HydrophobicContact CB-CD2 4.29Å; I397-F423 HydrophobicContact CB-CG 4.23Å; I397-F423 HydrophobicContact CD1-CD1 4.41Å; I397-F423 HydrophobicContact CD1-CE1 4.03Å; I397-F423 HydrophobicContact CD1-CZ 4.29Å; I397-F423 HydrophobicContact CG1-CD1 3.65Å; I397-F423 HydrophobicContact CG1-CD2 4.24Å; I397-F423 HydrophobicContact CG1-CE1 3.75Å; I397-F423 HydrophobicContact CG1-CE2 4.39Å; I397-F423 HydrophobicContact CG1-CG 3.89Å; I397-F423 HydrophobicContact CG1-CZ 4.15Å; I397-F423 HydrophobicContact CG2-CD2 3.81Å; I397-F423 HydrophobicContact CG2-CE2 3.86Å; I397-F423 HydrophobicContact CG2-CG 4.26Å; I397-F423 HydrophobicContact CG2-CZ 4.3Å; N420-F423 VanDerWaalsContact CA-CE1 3.41Å; N420-F423 HydrophobicContact CB-CE1 3.88Å; N420-F423 HydrophobicContact CB-CE2 4.49Å; N420-F423 HydrophobicContact CB-CZ 3.7Å; N420-F423 WeakPolarHBondContact O-CD1 3.31Å; N420-F423 PolarHBondContact O-N 3.49Å; N420-F423 WeakPolarHBondContact OD1-CE1 3.49Å; N420-F423 WeakPolarHBondContact OD1-CZ 3.3Å; G421-F423 VanDerWaalsContact C-N 3.27Å; G421-F423 PolarHBondContact O-N 2.83Å; F423-E425 PolarHBondContact O-N 3Å; F423-E426 PolarHBondContact O-N 3.11Å; F423-L427 HydrophobicContact CB-CD1 3.98Å; F423-L427 HydrophobicContact CB-CG 4.29Å; F423-L427 HydrophobicContact CD2-CD1 4.17Å; F423-L427 HydrophobicContact CG-CD1 4.4Å; F423-L427 VanDerWaalsContact O-CB 3.25Å; F423-L427 WeakPolarHBondContact O-CB 3.5Å; F423-L427 WeakPolarHBondContact O-CG 3.49Å; F423-L427 PolarHBondContact O-N 2.92Å; F423-F429 HydrophobicContact CD2-CE2 4.13Å; F423-F429 HydrophobicContact CE2-CE2 4.16Å; F423-F429 HydrophobicContact CE2-CZ 4.22Å
424	L	97.9	Very high	94.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-56.9	-170.9	-75.7	167.5	0	0	0	112.5	W259 A414 D416 N420 K428 F429	W259-L424 HydrophobicContact CB-CD2 3.71Å; W259-L424 HydrophobicContact CD2-CB 4.29Å; W259-L424 HydrophobicContact CD2-CD1 3.91Å; W259-L424 HydrophobicContact CD2-CD2 4.19Å; W259-L424 HydrophobicContact CD2-CG 4.35Å; W259-L424 HydrophobicContact CE3-CB 4.04Å; W259-L424 HydrophobicContact CE3-CD2 4.43Å; W259-L424 HydrophobicContact CG-CD1 3.94Å; W259-L424 HydrophobicContact CG-CD2 3.92Å; W259-L424 HydrophobicContact CG-CG 4.44Å; W259-L424 HydrophobicContact CZ2-CD1 4.38Å; W259-L424 HydrophobicContact CZ3-CB 4.16Å; A414-L424 HydrophobicContact CB-CD2 4.05Å; D416-L424 HydrophobicContact CB-CD1 4.29Å; N420-L424 HydrophobicContact CB-CD1 4.17Å; N420-L424 HydrophobicContact CB-CG 4.42Å; N420-L424 VanDerWaalsContact O-CG 3.27Å; N420-L424 WeakPolarHBondContact O-CG 3.3Å; N420-L424 PolarHBondContact O-N 2.84Å; L424-K428 PolarHBondContact O-N 2.95Å; L424-F429 HydrophobicContact CB-CB 4.25Å; L424-F429 HydrophobicContact CD2-CB 3.78Å; L424-F429 HydrophobicContact CD2-CD1 3.64Å; L424-F429 HydrophobicContact CD2-CD2 4.09Å; L424-F429 HydrophobicContact CD2-CE1 4.21Å; L424-F429 HydrophobicContact CD2-CG 3.58Å; L424-F429 VanDerWaalsContact O-CB 3.31Å; L424-F429 WeakPolarHBondContact O-CB 3.43Å; L424-F429 WeakPolarHBondContact O-CD2 3.29Å; L424-F429 PolarHBondContact O-N 3.37Å
425	E	96.8	Very high	94.1	Very high	154 Å²	154	42.6 Å²	42.6	72%	0.72	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-46.4	-178.3	-65.5	-174.1	174.5	0	0	112.3	W259 F423 L427 K428	W259-E425 HydrophobicContact CH2-CG 4.11Å; W259-E425 HydrophobicContact CZ3-CG 4.27Å; F423-E425 PolarHBondContact O-N 3Å; E425-L427 VanDerWaalsContact C-N 3.29Å; E425-L427 PolarHBondContact O-N 2.92Å; E425-K428 WeakPolarHBondContact O-CA 3.34Å; E425-K428 PolarHBondContact O-N 3.45Å
426	E	97.3	Very high	93.9	Very high	134 Å²	134	42.6 Å²	42.6	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-41.8	-179.2	-175.1	176.1	151	0	0	111.7	P394 F423 K428	P394-E426 HydrophobicContact CB-CG 4.34Å; P394-E426 VanDerWaalsContact CB-OE1 3.23Å; P394-E426 WeakPolarHBondContact CB-OE1 3.31Å; P394-E426 VanDerWaalsContact CG-CD 3.4Å; P394-E426 HydrophobicContact CG-CG 4.43Å; P394-E426 WeakPolarHBondContact CG-OE1 3.33Å; P394-E426 VanDerWaalsContact CG-OE2 3.23Å; P394-E426 WeakPolarHBondContact CG-OE2 3.19Å; F423-E426 PolarHBondContact O-N 3.11Å; E426-K428 PolarHBondContact O-N 3.48Å
427	L	98.1	Very high	93.8	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.073	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	12	177.1	-62.1	-175.3	0	0	0	113.2	R261 P394 I397 Q398 L401 F423 E425 F429	R261-L427 WeakPolarHBondContact CD-O 3.45Å; R261-L427 PolarHBondContact NE-O 2.9Å; P394-L427 HydrophobicContact CB-CD2 4.18Å; P394-L427 HydrophobicContact CB-CG 4.36Å; I397-L427 HydrophobicContact CB-CD1 3.56Å; I397-L427 HydrophobicContact CG2-CD1 3.52Å; Q398-L427 HydrophobicContact CB-CD2 4.05Å; L401-L427 HydrophobicContact CD1-CB 4.31Å; L401-L427 HydrophobicContact CD1-CD1 4.15Å; F423-L427 HydrophobicContact CB-CD1 3.98Å; F423-L427 HydrophobicContact CB-CG 4.29Å; F423-L427 HydrophobicContact CD2-CD1 4.17Å; F423-L427 HydrophobicContact CG-CD1 4.4Å; F423-L427 VanDerWaalsContact O-CB 3.25Å; F423-L427 WeakPolarHBondContact O-CB 3.5Å; F423-L427 WeakPolarHBondContact O-CG 3.49Å; F423-L427 PolarHBondContact O-N 2.92Å; E425-L427 VanDerWaalsContact C-N 3.29Å; E425-L427 PolarHBondContact O-N 2.92Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-F429 HydrophobicContact CB-CD2 3.95Å; L427-F429 HydrophobicContact CB-CE2 3.89Å; L427-F429 PolarHBondContact O-N 3.23Å
428	K	97	Very high	93.8	Very high	90 Å²	90	41.2 Å²	41.2	39%	0.391	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	34.7	172.7	-47.2	165.5	-178.6	163.6	0	113.4	R261 L288 Y289 L424 E425 E426	R261-K428 WeakPolarHBondContact CD-O 3.47Å; L288-K428 HydrophobicContact CD1-CD 4.07Å; L288-K428 HydrophobicContact CG-CD 4.44Å; L288-K428 WeakPolarHBondContact O-CD 3.46Å; L288-K428 PolarHBondContact O-NZ 3.35Å; Y289-K428 HydrophobicContact CD1-CB 4.23Å; Y289-K428 HydrophobicContact CD1-CD 4.42Å; Y289-K428 HydrophobicContact CE1-CB 3.95Å; L424-K428 PolarHBondContact O-N 2.95Å; E425-K428 WeakPolarHBondContact O-CA 3.34Å; E425-K428 PolarHBondContact O-N 3.45Å; E426-K428 PolarHBondContact O-N 3.48Å
429	F	96.8	Very high	93.8	Very high	10 Å²	10	41.2 Å²	41.2	4%	0.044	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-69	138.1	164	-73.2	-110.7	0	0	0	108.8	W259 H260 R261 L401 F412 A414 F423 L424 L427	W259-F429 HydrophobicContact CB-CB 4.16Å; W259-F429 HydrophobicContact CB-CD1 4.15Å; W259-F429 HydrophobicContact CE3-CB 3.8Å; W259-F429 WeakPolarHBondContact CZ3-O 3.45Å; H260-F429 WeakPolarHBondContact O-CA 3.21Å; R261-F429 HydrophobicContact CB-CD1 3.57Å; R261-F429 HydrophobicContact CB-CD2 3.94Å; R261-F429 HydrophobicContact CB-CE1 3.5Å; R261-F429 HydrophobicContact CB-CE2 3.87Å; R261-F429 HydrophobicContact CB-CG 3.79Å; R261-F429 HydrophobicContact CB-CZ 3.66Å; R261-F429 HydrophobicContact CG-CD2 4.24Å; R261-F429 HydrophobicContact CG-CE2 4.08Å; R261-F429 HydrophobicContact CG-CZ 4.24Å; L401-F429 HydrophobicContact CD1-CE2 4.11Å; L401-F429 HydrophobicContact CD1-CZ 4.47Å; L401-F429 HydrophobicContact CD2-CE2 4.44Å; L401-F429 HydrophobicContact CD2-CZ 3.99Å; F412-F429 AromaticContact CD1-CE1 3.91Å; F412-F429 HydrophobicContact CD1-CE1 3.91Å; F412-F429 AromaticContact CD1-CZ 3.83Å; F412-F429 HydrophobicContact CD1-CZ 3.83Å; F412-F429 HydrophobicContact CE1-CZ 4.42Å; A414-F429 HydrophobicContact CB-CD1 4.4Å; A414-F429 HydrophobicContact CB-CE1 3.94Å; F423-F429 HydrophobicContact CD2-CE2 4.13Å; F423-F429 HydrophobicContact CE2-CE2 4.16Å; F423-F429 HydrophobicContact CE2-CZ 4.22Å; L424-F429 HydrophobicContact CB-CB 4.25Å; L424-F429 HydrophobicContact CD2-CB 3.78Å; L424-F429 HydrophobicContact CD2-CD1 3.64Å; L424-F429 HydrophobicContact CD2-CD2 4.09Å; L424-F429 HydrophobicContact CD2-CE1 4.21Å; L424-F429 HydrophobicContact CD2-CG 3.58Å; L424-F429 VanDerWaalsContact O-CB 3.31Å; L424-F429 WeakPolarHBondContact O-CB 3.43Å; L424-F429 WeakPolarHBondContact O-CD2 3.29Å; L424-F429 PolarHBondContact O-N 3.37Å; L427-F429 VanDerWaalsContact C-N 3.34Å; L427-F429 HydrophobicContact CB-CD2 3.95Å; L427-F429 HydrophobicContact CB-CE2 3.89Å; L427-F429 PolarHBondContact O-N 3.23Å
430	G	93.7	Very high	93.8	Very high	31 Å²	31	39 Å²	39	32%	0.32	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.9	170.4	0	0	0	0	0	110.5	W259 H260 G432	W259-G430 CarbonylContact C-O 3.57Å; W259-G430 VanDerWaalsContact CA-O 3.28Å; W259-G430 WeakPolarHBondContact CA-O 3.35Å; H260-G430 PolarHBondContact N-O 2.82Å; H260-G430 PolarHBondContact O-N 2.98Å; G430-G432 PolarHBondContact O-N 2.71Å
431	I	91.2	Very high	93.7	Very high	110 Å²	110	40 Å²	40	56%	0.564	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	122.7	171.2	-66.3	164.8	0	0	0	108.4	R257 W259	R257-I431 HydrophobicContact CG-CG2 4.1Å; W259-I431 HydrophobicContact CD2-CG1 3.88Å; W259-I431 HydrophobicContact CE3-CB 4.5Å; W259-I431 HydrophobicContact CE3-CG1 3.78Å; W259-I431 HydrophobicContact CH2-CD1 3.72Å; W259-I431 HydrophobicContact CH2-CG1 3.23Å; W259-I431 HydrophobicContact CZ2-CD1 3.89Å; W259-I431 HydrophobicContact CZ2-CG1 3.29Å; W259-I431 HydrophobicContact CZ3-CD1 4.31Å; W259-I431 HydrophobicContact CZ3-CG1 3.47Å; W259-I431 VanDerWaalsContact CZ3-CG1 3.47Å
432	G	84.6	Confident	93.7	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-167.7	165.2	0	0	0	0	0	110.8	R257 Y258 G430	R257-G432 VanDerWaalsContact CD-O 3.32Å; R257-G432 WeakPolarHBondContact CD-O 3.49Å; R257-G432 PolarHBondContact NH1-O 2.96Å; R257-G432 VanDerWaalsContact NH1-O 3.07Å; Y258-G432 VanDerWaalsContact O-CA 3.28Å; Y258-G432 WeakPolarHBondContact O-CA 3.45Å; Y258-G432 PolarHBondContact O-N 2.63Å; G430-G432 PolarHBondContact O-N 2.71Å
433	D	74.3	Confident	93.7	Very high	33 Å²	33	32.9 Å²	32.9	18%	0.176	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-20.9	-177	69.6	-51.9	0	0	0	113.8	T54 D435	T54-D433 VanDerWaalsContact C-OD1 3.24Å; T54-D433 WeakPolarHBondContact CA-OD1 3.16Å; T54-D433 VanDerWaalsContact CA-OD2 3.22Å; T54-D433 WeakPolarHBondContact CA-OD2 3.24Å; T54-D433 WeakPolarHBondContact CB-OD2 3.34Å; T54-D433 HydrophobicContact CG2-CB 2.99Å; T54-D433 VanDerWaalsContact CG2-CG 3.47Å; D433-D435 PolarHBondContact O-N 3.34Å; D433-D435 VanDerWaalsContact O-N 3.15Å
434	G	80.8	Confident	93.6	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	112.3	174.3	0	0	0	0	0	109.9	R257 Y258	R257-G434 WeakPolarHBondContact CD-O 3.45Å; Y258-G434 WeakPolarHBondContact CD2-O 3.14Å; Y258-G434 PolarHBondContact N-O 3.47Å
435	D	89.8	Confident	93.5	Very high	28 Å²	28	36 Å²	36	15%	0.15	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.6	163	-68	-46.2	0	0	0	108.8	L58 K255 C256 R257 D433	L58-D435 VanDerWaalsContact CD2-O 3.3Å; L58-D435 WeakPolarHBondContact CD2-O 3.48Å; K255-D435 WeakPolarHBondContact CE-OD1 3.46Å; K255-D435 WeakPolarHBondContact CE-OD2 3.38Å; K255-D435 HydrophobicContact CG-CB 4.3Å; K255-D435 VanDerWaalsContact NZ-CG 3.34Å; K255-D435 IonicContact NZ-OD1 3.58Å; K255-D435 IonicContact NZ-OD2 2.7Å; K255-D435 PolarHBondContact NZ-OD2 3.17Å; C256-D435 CarbonylContact O-C 3.58Å; C256-D435 WeakPolarHBondContact O-CA 3.42Å; R257-D435 IonicContact CZ-OD1 3.46Å; R257-D435 VanDerWaalsContact CZ-OD1 3.26Å; R257-D435 IonicContact NE-OD1 2.79Å; R257-D435 PolarHBondContact NE-OD1 2.93Å; R257-D435 IonicContact NH2-OD1 3.14Å; R257-D435 PolarHBondContact NH2-OD1 3.21Å; R257-D435 IonicContact NH2-OD2 3.56Å; D433-D435 PolarHBondContact O-N 3.34Å; D433-D435 VanDerWaalsContact O-N 3.15Å
436	L	93.2	Very high	93.4	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.9	169.6	-166.9	67.9	0	0	0	109.3	T244 C256 Y258 L415 Y438	T244-L436 HydrophobicContact CG2-CD1 4.44Å; T244-L436 HydrophobicContact CG2-CD2 4.04Å; T244-L436 HydrophobicContact CG2-CG 4.07Å; C256-L436 PolarHBondContact N-O 2.9Å; C256-L436 PolarHBondContact O-N 2.83Å; Y258-L436 HydrophobicContact CE2-CB 3.98Å; Y258-L436 HydrophobicContact CE2-CD1 4.4Å; L415-L436 HydrophobicContact CD1-CD2 3.58Å; L415-L436 HydrophobicContact CD2-CB 3.96Å; L415-L436 HydrophobicContact CD2-CD2 4.38Å; L436-Y438 HydrophobicContact CD2-CE2 4Å; L436-Y438 HydrophobicContact CG-CE2 4.26Å
437	H	95.4	Very high	93.4	Very high	16 Å²	16	29.4 Å²	29.4	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.7	178.1	-59.2	88.9	0	0	0	109.8	T244 S245 P252 Y439	T244-H437 CarbonylContact C-O 3.57Å; T244-H437 WeakPolarHBondContact CA-O 3.33Å; T244-H437 WeakPolarHBondContact CB-O 3.22Å; S245-H437 PolarHBondContact N-O 3.45Å; S245-H437 WeakPolarHBondContact O-CB 3.21Å; S245-H437 PolarHBondContact O-N 2.98Å; S245-H437 PolarHBondContact O-ND1 3.02Å; P252-H437 HydrophobicContact CB-CB 4.07Å; H437-Y439 HydrophobicContact CB-CD2 4.41Å; H437-Y439 WeakPolarHBondContact O-CE2 3.49Å; H437-Y439 VanDerWaalsContact O-CE2 3.3Å; H437-Y439 WeakPolarHBondContact O-CD2 3.43Å; H437-Y439 WeakPolarHBondContact CB-OH 3.48Å; H437-Y439 VanDerWaalsContact CB-CZ 3.46Å; H437-Y439 VanDerWaalsContact CB-CE2 3.43Å; H437-Y439 HydrophobicContact CB-CE2 3.43Å; H437-Y439 HydrophobicContact CB-CE1 4.46Å
438	Y	96.9	Very high	93.2	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.4	176.2	-74.8	-107.9	0	0	0	109.7	L242 T244 P252 V253 S254 C256 L417 L436 I453 I455	L242-Y438 HydrophobicContact CD1-CD1 4.41Å; T244-Y438 HydrophobicContact CG2-CD1 3.68Å; T244-Y438 HydrophobicContact CG2-CD2 4.09Å; T244-Y438 HydrophobicContact CG2-CE1 3.77Å; T244-Y438 HydrophobicContact CG2-CE2 4.14Å; T244-Y438 HydrophobicContact CG2-CG 3.85Å; P252-Y438 CarbonylContact C-O 3.58Å; P252-Y438 WeakPolarHBondContact CA-O 3.47Å; V253-Y438 WeakPolarHBondContact CG2-O 3.39Å; V253-Y438 PolarHBondContact N-O 2.88Å; S254-Y438 PolarHBondContact O-N 3.4Å; C256-Y438 HydrophobicContact CB-CE2 4.21Å; L417-Y438 WeakPolarHBondContact CD2-OH 3.37Å; L436-Y438 HydrophobicContact CD2-CE2 4Å; L436-Y438 HydrophobicContact CG-CE2 4.26Å; Y438-I453 HydrophobicContact CD1-CG2 4.33Å; Y438-I453 HydrophobicContact CE1-CG2 4Å; Y438-I453 HydrophobicContact CE2-CG2 4.43Å; Y438-I455 HydrophobicContact CE1-CB 4.18Å; Y438-I455 WeakPolarHBondContact CE1-O 3.31Å; Y438-I455 PolarHBondContact OH-O 3.24Å
439	Y	96.9	Very high	93.2	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.3	-176.8	-58.8	-85.1	0	0	0	111.4	L242 F243 T247 L248 L249 K251 P252 H437	L242-Y439 WeakPolarHBondContact CA-O 3.38Å; L242-Y439 WeakPolarHBondContact CD1-O 3.44Å; F243-Y439 AromaticContact CD2-CD2 3.76Å; F243-Y439 HydrophobicContact CD2-CD2 3.76Å; F243-Y439 HydrophobicContact CD2-CG 4.06Å; F243-Y439 VanDerWaalsContact CE1-CB 3.43Å; F243-Y439 HydrophobicContact CE1-CG 4.39Å; F243-Y439 HydrophobicContact CE2-CD1 4.33Å; F243-Y439 AromaticContact CE2-CD2 3.51Å; F243-Y439 HydrophobicContact CE2-CD2 3.51Å; F243-Y439 HydrophobicContact CE2-CE2 4.37Å; F243-Y439 AromaticContact CE2-CG 3.48Å; F243-Y439 HydrophobicContact CE2-CG 3.48Å; F243-Y439 VanDerWaalsContact CE2-CG 3.48Å; F243-Y439 HydrophobicContact CZ-CD1 4.33Å; F243-Y439 HydrophobicContact CZ-CD2 4.2Å; F243-Y439 AromaticContact CZ-CG 3.68Å; F243-Y439 HydrophobicContact CZ-CG 3.68Å; F243-Y439 PolarHBondContact N-O 3.35Å; F243-Y439 PolarHBondContact O-N 3.25Å; T247-Y439 PolarHBondContact O-OH 2.71Å; L248-Y439 WeakPolarHBondContact CA-OH 3.39Å; L249-Y439 HydrophobicContact CB-CD1 4.48Å; L249-Y439 HydrophobicContact CB-CE1 3.76Å; L249-Y439 PolarHBondContact N-OH 3.02Å; L249-Y439 VanDerWaalsContact O-CE1 3.28Å; L249-Y439 WeakPolarHBondContact O-CE1 3.44Å; K251-Y439 WeakPolarHBondContact O-CD1 3.3Å; P252-Y439 HydrophobicContact CB-CD1 4.22Å; P252-Y439 HydrophobicContact CB-CE1 3.72Å; P252-Y439 HydrophobicContact CG-CE1 4.35Å; H437-Y439 HydrophobicContact CB-CD2 4.41Å; H437-Y439 WeakPolarHBondContact O-CE2 3.49Å; H437-Y439 VanDerWaalsContact O-CE2 3.3Å; H437-Y439 WeakPolarHBondContact O-CD2 3.43Å; H437-Y439 WeakPolarHBondContact CB-OH 3.48Å; H437-Y439 VanDerWaalsContact CB-CZ 3.46Å; H437-Y439 VanDerWaalsContact CB-CE2 3.43Å; H437-Y439 HydrophobicContact CB-CE2 3.43Å; H437-Y439 HydrophobicContact CB-CE1 4.46Å
440	L	97.4	Very high	93.2	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.6	167.3	-62.4	172.4	0	0	0	109.7	L195 I197 A241 L242 V253 W443	L195-L440 HydrophobicContact CD2-CD2 3.99Å; I197-L440 HydrophobicContact CD1-CD1 3.89Å; I197-L440 HydrophobicContact CD1-CD2 4.45Å; I197-L440 HydrophobicContact CG1-CD1 4.28Å; I197-L440 HydrophobicContact CG2-CD1 4.12Å; A241-L440 CarbonylContact O-C 3.43Å; A241-L440 VanDerWaalsContact O-CA 3.3Å; A241-L440 WeakPolarHBondContact O-CA 2.87Å; L242-L440 HydrophobicContact CB-CD2 4.11Å; L242-L440 HydrophobicContact CD1-CD2 3.8Å; V253-L440 HydrophobicContact CG1-CB 4.31Å; V253-L440 HydrophobicContact CG1-CD1 4.11Å; V253-L440 HydrophobicContact CG1-CG 4.09Å; V253-L440 HydrophobicContact CG2-CG 4.38Å; L440-W443 HydrophobicContact CB-CB 3.8Å; L440-W443 HydrophobicContact CD1-CB 4.17Å; L440-W443 HydrophobicContact CD1-CG 4.07Å
441	Y	96.7	Very high	93.4	Very high	24 Å²	24	33.2 Å²	33.2	9%	0.094	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.7	170.9	-176.7	-89.1	0	0	0	109.9	Q83 P84 V85 T230 Q240 A241 W443	Q83-Y441 HydrophobicContact CB-CE2 4.21Å; Q83-Y441 PolarHBondContact OE1-OH 2.9Å; P84-Y441 VanDerWaalsContact CD-OH 3.31Å; P84-Y441 WeakPolarHBondContact CD-OH 3.4Å; P84-Y441 HydrophobicContact CG-CD1 4.32Å; P84-Y441 HydrophobicContact CG-CE1 3.63Å; P84-Y441 HydrophobicContact CG-CE2 3.92Å; P84-Y441 VanDerWaalsContact CG-CZ 3.41Å; P84-Y441 WeakPolarHBondContact CG-OH 3.45Å; V85-Y441 HydrophobicContact CG1-CD2 4.36Å; T230-Y441 HydrophobicContact CG2-CE1 4.16Å; Q240-Y441 WeakPolarHBondContact CA-O 3.44Å; A241-Y441 PolarHBondContact N-O 2.86Å; A241-Y441 PolarHBondContact O-N 2.92Å; Y441-W443 PolarHBondContact O-N 2.83Å
442	N	97.3	Very high	93.7	Very high	5 Å²	5	31 Å²	31	3%	0.027	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	36.3	-178	-167.5	25.9	0	0	0	113.8	P84 P97 I98 E99 F239 Q240	P84-N442 HydrophobicContact CB-CB 4.09Å; P84-N442 HydrophobicContact CG-CB 3.88Å; P84-N442 WeakPolarHBondContact O-CA 3.37Å; P84-N442 PolarHBondContact O-N 3.37Å; P97-N442 WeakPolarHBondContact CA-O 3.33Å; I98-N442 PolarHBondContact N-O 3.44Å; I98-N442 PolarHBondContact N-OD1 3.07Å; E99-N442 PolarHBondContact N-OD1 2.79Å; E99-N442 PolarHBondContact O-ND2 3.26Å; E99-N442 PolarHBondContact O-OD1 2.86Å; F239-N442 VanDerWaalsContact O-CB 3.23Å; F239-N442 WeakPolarHBondContact O-CB 3.4Å; F239-N442 PolarHBondContact O-ND2 2.85Å; F239-N442 VanDerWaalsContact O-ND2 3.16Å; Q240-N442 HydrophobicContact CG-CB 4.41Å; Q240-N442 WeakPolarHBondContact CG-O 3.25Å; Q240-N442 PolarHBondContact NE2-ND2 2.63Å
443	W	97.3	Very high	94.3	Very high	9 Å²	9	30.8 Å²	30.8	3%	0.034	15%	0.153	C	C	.	.			trans	-145.2	139.7	174.2	-162.5	-91.2	0	0	0	109.9	N95 G96 P97 I197 K200 K202 Q240 L440 Y441	N95-W443 PolarHBondContact OD1-NE1 3.47Å; G96-W443 WeakPolarHBondContact O-CA 3.32Å; P97-W443 HydrophobicContact CB-CE3 4.35Å; P97-W443 HydrophobicContact CB-CZ3 4.5Å; I197-W443 HydrophobicContact CB-CZ2 4.45Å; I197-W443 HydrophobicContact CD1-CD2 4.06Å; I197-W443 HydrophobicContact CD1-CG 4.19Å; I197-W443 HydrophobicContact CD1-CZ2 4.22Å; K200-W443 HydrophobicContact CB-CH2 4.08Å; K200-W443 HydrophobicContact CB-CZ2 3.93Å; K200-W443 HydrophobicContact CD-CH2 3.86Å; K200-W443 HydrophobicContact CD-CZ2 3.84Å; K200-W443 HydrophobicContact CG-CZ2 4.48Å; K202-W443 HydrophobicContact CD-CZ3 4.39Å; K202-W443 HydrophobicContact CG-CZ3 4.31Å; Q240-W443 HydrophobicContact CG-CB 4.5Å; Q240-W443 HydrophobicContact CG-CE3 3.92Å; L440-W443 HydrophobicContact CB-CB 3.8Å; L440-W443 HydrophobicContact CD1-CB 4.17Å; L440-W443 HydrophobicContact CD1-CG 4.07Å; Y441-W443 PolarHBondContact O-N 2.83Å
444	R	95.5	Very high	95.4	Very high	62 Å²	62	29.2 Å²	29.2	23%	0.234	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-117.8	136.4	171.2	52.2	168.2	47.7	143.6	-7	109	P86 E90 I92 D94 N95 G96 I98	P86-R444 HydrophobicContact CG-CB 4.29Å; E90-R444 IonicContact OE1-CZ 3.76Å; E90-R444 IonicContact OE1-NE 3.8Å; E90-R444 IonicContact OE1-NH2 2.73Å; E90-R444 PolarHBondContact OE1-NH2 3.32Å; I92-R444 HydrophobicContact CD1-CB 4.23Å; I92-R444 HydrophobicContact CG2-CB 3.97Å; D94-R444 WeakPolarHBondContact OD1-CD 3.45Å; D94-R444 WeakPolarHBondContact OD2-CD 3.12Å; N95-R444 CarbonylContact C-O 3.54Å; N95-R444 WeakPolarHBondContact CA-O 3.48Å; G96-R444 PolarHBondContact N-O 2.81Å; G96-R444 VanDerWaalsContact O-CG 3.27Å; G96-R444 WeakPolarHBondContact O-CG 3.29Å; G96-R444 PolarHBondContact O-N 3.49Å; I98-R444 HydrophobicContact CD1-CB 4.33Å; I98-R444 HydrophobicContact CG1-CB 3.97Å; I98-R444 HydrophobicContact CG1-CG 4Å
445	C	96.4	Very high	96.2	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.034	14%	0.144	C	C	.	.			trans	-153.9	161	172.8	61.7	0	0	0	0	109.6	D94 I197 Y198	D94-C445 WeakPolarHBondContact O-CA 3.31Å; I197-C445 HydrophobicContact CG2-CB 4.16Å; Y198-C445 HydrophobicContact CD2-CB 3.99Å; Y198-C445 HydrophobicContact CE2-CB 3.74Å
446	P	95.7	Very high	96.4	Very high	39 Å²	39	28.1 Å²	28.1	25%	0.253	14%	0.139	S	C	.	.	P	Polyproline II helix	trans	-59.1	152	173.3	-23.2	34.5	0	0	0	111.8	Y198 T448	Y198-P446 PolarHBondContact OH-O 2.73Å; P446-T448 PolarHBondContact O-N 2.95Å
447	F	96	Very high	96.4	Very high	111 Å²	111	28 Å²	28	49%	0.487	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-61.7	130.5	175.9	-177.7	-88.4	0	0	0	110.9	V253 K255	V253-F447 WeakPolarHBondContact O-CA 3.37Å; K255-F447 HydrophobicContact CB-CZ 4.39Å
448	T	95.6	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-103.5	132.4	-177	-52	0	0	0	0	110	Y198 V253 S254 N323 I324 P446 E452 I453	Y198-T448 PolarHBondContact OH-OG1 3.23Å; V253-T448 PolarHBondContact O-N 3.36Å; S254-T448 VanDerWaalsContact CB-O 3.25Å; S254-T448 WeakPolarHBondContact CB-O 3.3Å; S254-T448 PolarHBondContact OG-O 3.37Å; N323-T448 HydrophobicContact CB-CG2 4Å; I324-T448 HydrophobicContact CD1-CG2 4.44Å; I324-T448 VanDerWaalsContact CD1-OG1 3.26Å; I324-T448 WeakPolarHBondContact CD1-OG1 3.47Å; P446-T448 PolarHBondContact O-N 2.95Å; T448-E452 HydrophobicContact CG2-CB 3.4Å; T448-E452 VanDerWaalsContact CG2-CB 3.4Å; T448-I453 HydrophobicContact CG2-CD1 3.59Å; T448-I453 HydrophobicContact CG2-CG1 4.09Å
449	K	96.7	Very high	96	Very high	128 Å²	128	29.5 Å²	29.5	56%	0.557	15%	0.145	S	C	*	.	P	Polyproline II helix	trans	-65.9	152.3	175.6	-66	176	-175.9	170.3	0	110.2	S451 E452 I453	K449-S451 PolarHBondContact O-N 3.38Å; K449-S451 VanDerWaalsContact O-N 3.15Å; K449-E452 PolarHBondContact O-N 3.42Å; K449-E452 WeakPolarHBondContact O-CA 3.46Å; K449-E452 HydrophobicContact CB-CG 4.5Å; K449-I453 PolarHBondContact O-N 2.84Å
450	P	96.8	Very high	96	Very high	33 Å²	33	30.8 Å²	30.8	21%	0.214	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-51.2	-41.7	177.8	-29.6	37.5	0	0	0	113	K255 L417 M418 E452 I453	K255-P450 VanDerWaalsContact O-CG 3.26Å; K255-P450 WeakPolarHBondContact O-CG 3.45Å; L417-P450 WeakPolarHBondContact CA-O 3.25Å; L417-P450 WeakPolarHBondContact CB-O 3.39Å; M418-P450 PolarHBondContact N-O 2.85Å; P450-E452 PolarHBondContact O-N 3.48Å; P450-E452 VanDerWaalsContact O-N 3.1Å; P450-I453 WeakPolarHBondContact O-CB 3.3Å; P450-I453 PolarHBondContact O-N 3.26Å
451	S	97	Very high	95.9	Very high	65 Å²	65	32.3 Å²	32.3	46%	0.455	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-65.3	-13.3	179.3	60.4	0	0	0	0	115	F322 M418 K449	F322-S451 VanDerWaalsContact CD1-O 3.26Å; F322-S451 WeakPolarHBondContact CD1-O 3.1Å; F322-S451 WeakPolarHBondContact CE1-O 3.39Å; M418-S451 VanDerWaalsContact O-CA 3.26Å; M418-S451 WeakPolarHBondContact O-CA 3.27Å; K449-S451 PolarHBondContact O-N 3.38Å; K449-S451 VanDerWaalsContact O-N 3.15Å
452	E	97.3	Very high	95.9	Very high	64 Å²	64	32.8 Å²	32.8	30%	0.299	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-105.9	3.8	177.7	-64.8	175	160.8	0	0	112.1	F322 N323 I324 T448 K449 P450	F322-E452 WeakPolarHBondContact CB-O 3.25Å; N323-E452 HydrophobicContact CB-CB 4.29Å; N323-E452 PolarHBondContact N-O 3.22Å; N323-E452 PolarHBondContact ND2-OE2 3.43Å; I324-E452 PolarHBondContact N-O 2.82Å; T448-E452 HydrophobicContact CG2-CB 3.4Å; T448-E452 VanDerWaalsContact CG2-CB 3.4Å; K449-E452 PolarHBondContact O-N 3.42Å; K449-E452 WeakPolarHBondContact O-CA 3.46Å; K449-E452 HydrophobicContact CB-CG 4.5Å; P450-E452 PolarHBondContact O-N 3.48Å; P450-E452 VanDerWaalsContact O-N 3.1Å
453	I	97.7	Very high	95.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-93.1	116	169.9	-63.7	-59.2	0	0	0	109.1	S254 I324 L417 M418 Y438 T448 K449 P450 I455	S254-I453 VanDerWaalsContact CB-CG1 3.47Å; S254-I453 VanDerWaalsContact OG-CG1 3.32Å; S254-I453 WeakPolarHBondContact OG-CG1 3.23Å; I324-I453 HydrophobicContact CB-CD1 3.92Å; I324-I453 HydrophobicContact CD1-CD1 4.06Å; I324-I453 HydrophobicContact CG1-CD1 4.39Å; I324-I453 HydrophobicContact CG2-CD1 4.39Å; L417-I453 HydrophobicContact CB-CB 4.3Å; L417-I453 HydrophobicContact CB-CG2 4.4Å; L417-I453 HydrophobicContact CD2-CG2 4.41Å; M418-I453 WeakPolarHBondContact CG-O 3.44Å; M418-I453 PolarHBondContact N-O 3.26Å; Y438-I453 HydrophobicContact CD1-CG2 4.33Å; Y438-I453 HydrophobicContact CE1-CG2 4Å; Y438-I453 HydrophobicContact CE2-CG2 4.43Å; T448-I453 HydrophobicContact CG2-CD1 3.59Å; T448-I453 HydrophobicContact CG2-CG1 4.09Å; K449-I453 PolarHBondContact O-N 2.84Å; P450-I453 WeakPolarHBondContact O-CB 3.3Å; P450-I453 PolarHBondContact O-N 3.26Å; I453-I455 HydrophobicContact CG2-CB 4.5Å
454	G	97.8	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.			trans	-104.6	28.6	176	0	0	0	0	0	113.4	L319 I324 P326 Y385	L319-G454 WeakPolarHBondContact CD2-O 3.4Å; I324-G454 WeakPolarHBondContact O-CA 2.91Å; I324-G454 PolarHBondContact O-N 3.24Å; P326-G454 WeakPolarHBondContact CD-O 3.5Å; Y385-G454 WeakPolarHBondContact CE1-O 3.15Å
455	I	96.2	Very high	95.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.			trans	-123.2	132	-178.9	-49.3	167.5	0	0	0	111.3	L195 L242 I324 L417 Y438 I453 L457	L195-I455 HydrophobicContact CD1-CD1 3.27Å; L195-I455 HydrophobicContact CD1-CG1 3.92Å; L195-I455 HydrophobicContact CD2-CD1 3.89Å; L195-I455 HydrophobicContact CG-CD1 4.04Å; L242-I455 HydrophobicContact CD1-CD1 4.44Å; L242-I455 HydrophobicContact CD2-CD1 3.63Å; L242-I455 HydrophobicContact CD2-CG2 3.91Å; I324-I455 HydrophobicContact CG2-CD1 3.35Å; I324-I455 HydrophobicContact CG2-CG1 4.22Å; L417-I455 WeakPolarHBondContact CD2-O 3.33Å; Y438-I455 HydrophobicContact CE1-CB 4.18Å; Y438-I455 WeakPolarHBondContact CE1-O 3.31Å; Y438-I455 PolarHBondContact OH-O 3.24Å; I453-I455 HydrophobicContact CG2-CB 4.5Å; I455-L457 HydrophobicContact CG2-CD2 3.84Å; I455-L457 HydrophobicContact CG2-CG 4.39Å
456	V	95.7	Very high	95.6	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.042	19%	0.188	C	C	.	.			trans	-118.1	120.1	168.9	-174.1	0	0	0	0	109.5	Y363 F384 Y385 L417 M418	Y363-V456 HydrophobicContact CE1-CG1 4.15Å; F384-V456 HydrophobicContact CD2-CB 3.87Å; F384-V456 HydrophobicContact CD2-CG1 3.82Å; F384-V456 HydrophobicContact CE2-CB 4.19Å; F384-V456 HydrophobicContact CE2-CG1 4.36Å; F384-V456 WeakPolarHBondContact O-CG2 2.91Å; Y385-V456 HydrophobicContact CE2-CB 4.18Å; Y385-V456 PolarHBondContact OH-N 3Å; L417-V456 HydrophobicContact CD1-CG2 3.94Å; L417-V456 HydrophobicContact CD2-CG2 4.28Å; M418-V456 HydrophobicContact CE-CG2 3.95Å
457	L	91.5	Very high	95.6	Very high	10 Å²	10	36.4 Å²	36.4	5%	0.052	18%	0.183	C	C	.	.			trans	-98.4	152.7	171.7	-57	-170.7	0	0	0	110.2	E206 L242 T244 Y363 I455	E206-L457 HydrophobicContact CG-CD2 3.97Å; L242-L457 HydrophobicContact CD2-CD1 4.43Å; L242-L457 HydrophobicContact CD2-CD2 4.02Å; L242-L457 HydrophobicContact CG-CD1 4.21Å; T244-L457 HydrophobicContact CG2-CD1 3.59Å; T244-L457 HydrophobicContact CG2-CG 4.16Å; Y363-L457 PolarHBondContact OH-O 2.8Å; I455-L457 HydrophobicContact CG2-CD2 3.84Å; I455-L457 HydrophobicContact CG2-CG 4.39Å
458	Q	89.4	Confident	95.6	Very high	18 Å²	18	29.6 Å²	29.6	8%	0.084	16%	0.155	C	C	.	.			trans	-89.2	0	-167.5	-58.3	89.3	7.9	0	0	115.6	F158 W161 I162 N208 Y363	F158-Q458 HydrophobicContact CE1-CB 3.87Å; F158-Q458 HydrophobicContact CZ-CB 3.83Å; F158-Q458 HydrophobicContact CZ-CG 4.31Å; W161-Q458 HydrophobicContact CZ3-CG 4.5Å; I162-Q458 HydrophobicContact CD1-CB 4.28Å; I162-Q458 VanDerWaalsContact CD1-CD 3.45Å; I162-Q458 HydrophobicContact CD1-CG 3.55Å; I162-Q458 HydrophobicContact CG1-CB 4.09Å; I162-Q458 HydrophobicContact CG1-CG 3.92Å; N208-Q458 PolarHBondContact ND2-O 3.34Å; Y363-Q458 PolarHBondContact OH-OXT 3.05Å

Retrieved 458 of 458 residues in 120.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).