MMP24_RAT Loading...

Matrix metalloproteinase-24

Metalloprotease that mediates cleavage of N-cadherin (CDH2) and acts as a regulator of neuro-immune interactions and neural stem cell quiescence. Involved in cell-cell interactions between nociceptive neurites and mast cells, possibly by mediating cleavage of CDH2, thereby acting as a mediator of peripheral thermal nociception and inflammatory hyperalgesia. Key regulator of neural stem cells quiescence by mediating cleavage of CDH2, affecting CDH2-mediated anchorage of neural stem cells to ependymocytes in the adult subependymal zone, leading to modulate their quiescence. May play a role in axonal growth. Able to activate progelatinase A. May also be a proteoglycanase involved in degradation of proteoglycans, such as dermatan sulfate and chondroitin sulfate proteoglycans. Cleaves partially fibronectin, but not collagen type I, nor laminin.

AlphaFold DB , UniProt , Accession Q99PW6, Species RAT (Rattus norvegicus, Rat), Gene Mmp24, Length 618 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	34.5	Very low	194 Å²	194	150.3 Å²	150.3	96%	0.956	87%	0.866	S	S	*	*				0	140.3	0	-77	-158.1	179.5	0	0	107.9	R3	M1-R3 HydrophobicContact CE-CG 4.29Å; M1-R3 HydrophobicContact SD-CB 4.17Å; M1-R3 VanDerWaalsContact SD-CD 3.53Å; M1-R3 HydrophobicContact SD-CG 3.65Å
2	P	52.7	Low	34.2	Very low	127 Å²	127	143.3 Å²	143.3	83%	0.825	85%	0.851	S	S	*	*				-101.8	154.1	62.4	35.4	-31.7	0	0	0	111
3	R	29.2	Very low	33.9	Very low	215 Å²	215	147.8 Å²	147.8	81%	0.811	86%	0.858	S	S	*	*			cis	61.1	93.1	21.5	-91.4	-167.6	-179.7	-176	0.7	116	M1	M1-R3 HydrophobicContact CE-CG 4.29Å; M1-R3 HydrophobicContact SD-CB 4.17Å; M1-R3 VanDerWaalsContact SD-CD 3.53Å; M1-R3 HydrophobicContact SD-CG 3.65Å
4	S	35.5	Very low	33.2	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	85%	0.854	S	S	*	*			trans	-143.2	118.6	142.3	66.1	0	0	0	0	108.5
5	R	33.7	Very low	32.8	Very low	245 Å²	245	140.9 Å²	140.9	93%	0.925	85%	0.85	S	S	*	*				76.2	115.5	112.8	-71.6	-176.7	174.2	-175.9	-1.6	112.1
6	G	27.9	Very low	32.5	Very low	84 Å²	84	146.7 Å²	146.7	87%	0.866	85%	0.851	S	S	*	*			cis	103.1	121	30.8	0	0	0	0	0	108.5
7	G	31	Very low	32	Very low	83 Å²	83	152.3 Å²	152.3	86%	0.856	86%	0.855	S	S	*	*			trans	151.3	80.7	171.6	0	0	0	0	0	114.3
8	R	24.8	Very low	31.7	Very low	259 Å²	259	150.3 Å²	150.3	98%	0.977	85%	0.853	S	S	*	*			trans	-77.1	140.6	158.6	-81.4	177.2	169.6	-175.3	-4.1	108.8
9	A	34.9	Very low	31.5	Very low	107 Å²	107	146.2 Å²	146.2	88%	0.884	85%	0.847	S	S	*	*			trans	-127.3	148.4	159.8	0	0	0	0	0	109.5
10	A	30.5	Very low	31.2	Very low	99 Å²	99	150.3 Å²	150.3	82%	0.818	85%	0.848	S	S	*	*			trans	-106.7	-175.4	-150.9	0	0	0	0	0	112.6
11	P	43	Very low	31	Very low	135 Å²	135	153.4 Å²	153.4	88%	0.877	85%	0.846	S	S	*	*			trans	-107.9	173.5	-158.5	41.3	-34.8	0	0	0	115.2
12	G	31.2	Very low	30.6	Very low	66 Å²	66	148.4 Å²	148.4	68%	0.68	84%	0.836	S	S	*	*			trans	-176.7	118.7	160.9	0	0	0	0	0	108.6
13	Q	30.2	Very low	29.7	Very low	203 Å²	203	148.5 Å²	148.5	95%	0.949	84%	0.837	S	S	*	*				114.5	136.7	63.3	-99.6	-163.7	56.5	0	0	109.2
14	A	23.6	Very low	29.6	Very low	96 Å²	96	141.4 Å²	141.4	79%	0.793	83%	0.83	S	S	*	*			trans	-88.6	156.1	-169.9	0	0	0	0	0	112.9
15	A	28	Very low	29.5	Very low	96 Å²	96	147.8 Å²	147.8	79%	0.793	84%	0.838	S	S	*	*			trans	159.7	152.8	131.1	0	0	0	0	0	113.9
16	R	28.3	Very low	29.5	Very low	233 Å²	233	144 Å²	144	88%	0.879	84%	0.836	S	S	*	*			trans	80.4	106.5	166.3	-69.7	-178.2	169.3	-158.8	-3.7	117.1
17	W	24	Very low	29.8	Very low	242 Å²	242	148 Å²	148	92%	0.917	84%	0.836	S	S	*	*				90.8	117.3	62.5	-81.9	42.2	0	0	0	114.5
18	S	26.1	Very low	30.1	Very low	117 Å²	117	149.7 Å²	149.7	82%	0.818	83%	0.832	S	S	*	*			trans	67.8	124.3	146.6	62.9	0	0	0	0	121.8
19	G	28.6	Very low	30.4	Very low	71 Å²	71	145 Å²	145	73%	0.732	83%	0.825	S	S	*	*			trans	143.6	59.1	163.5	0	0	0	0	0	112.9
20	W	25	Very low	30.7	Very low	228 Å²	228	147.9 Å²	147.9	86%	0.864	83%	0.825	S	S	*	*				54.4	118.7	104.4	-84.9	38.8	0	0	0	117.5
21	R	26.3	Very low	31.4	Very low	216 Å²	216	148.3 Å²	148.3	82%	0.815	82%	0.819	S	S	*	*			trans	90	94.2	153.8	-66.2	-173.3	-175.8	-130.1	2.1	119.8
22	A	29.2	Very low	31	Very low	90 Å²	90	146.3 Å²	146.3	74%	0.744	82%	0.815	S	S	*	*			trans	-52	162.6	135.7	0	0	0	0	0	111.2
23	P	33.5	Very low	31.3	Very low	129 Å²	129	151.2 Å²	151.2	84%	0.838	82%	0.824	S	S	*	*			cis	-132	148	43.4	31.5	-10.5	0	0	0	113.3
24	G	26.4	Very low	31.4	Very low	65 Å²	65	147.5 Å²	147.5	67%	0.67	82%	0.819	S	S	*	*				89.8	108.6	63	0	0	0	0	0	109.7
25	R	34.2	Very low	31.9	Very low	239 Å²	239	149.2 Å²	149.2	90%	0.902	82%	0.824	S	S	*	*			trans	-177	106	140.9	-100.3	158.5	-168.8	-106.7	1.8	112.3
26	L	32.3	Very low	32.4	Very low	167 Å²	167	153.3 Å²	153.3	87%	0.874	83%	0.832	S	S	*	*			trans	5.2	115	144.3	-72.1	117.8	0	0	0	117.5	P28	L26-P28 WeakPolarHBondContact O-CD 3.41Å
27	L	33.9	Very low	32.9	Very low	166 Å²	166	146.8 Å²	146.8	87%	0.869	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-86.2	117.6	157.4	-132.9	85	0	0	0	108.2
28	P	38	Very low	33.5	Very low	120 Å²	120	140 Å²	140	78%	0.779	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-92.7	122.2	158.6	31.1	-22	0	0	0	109.4	L26	L26-P28 WeakPolarHBondContact O-CD 3.41Å
29	L	31.6	Very low	34.1	Very low	160 Å²	160	139.5 Å²	139.5	84%	0.838	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-63.5	128.9	161.5	-72.6	145	0	0	0	109.2
30	L	40.7	Very low	34.6	Very low	167 Å²	167	141.3 Å²	141.3	87%	0.874	83%	0.834	S	S	*	*			trans	-178.3	156.3	156	-100.6	166.8	0	0	0	109.2
31	P	44.7	Very low	35.1	Very low	108 Å²	108	134.1 Å²	134.1	70%	0.701	83%	0.831	S	S	*	*				-122.7	157.2	-104.5	37.8	-23.7	0	0	0	113.9	L33	P31-L33 PolarHBondContact O-N 3.45Å
32	A	35.5	Very low	35.7	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	83%	0.832	S	S	*	*			trans	-65.9	107	160.3	0	0	0	0	0	109.7
33	L	38.3	Very low	36.1	Very low	168 Å²	168	127.8 Å²	127.8	88%	0.88	83%	0.832	S	S	*	*			trans	176.3	80.4	142.3	-117.2	83.6	0	0	0	109.7	P31	P31-L33 PolarHBondContact O-N 3.45Å
34	C	31.7	Very low	36.1	Very low	126 Å²	126	131 Å²	131	85%	0.851	83%	0.833	S	S	*	*			trans	-157.2	24.6	160.3	-107	0	0	0	0	114	L36	C34-L36 VanDerWaalsContact C-N 3.27Å; C34-L36 PolarHBondContact O-N 3.18Å; C34-L36 VanDerWaalsContact O-N 3.14Å
35	C	33.7	Very low	36.4	Very low	132 Å²	132	133 Å²	133	89%	0.892	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	54.2	175.6	-67.9	0	0	0	0	112.5
36	L	37.6	Very low	36.2	Very low	181 Å²	181	126.9 Å²	126.9	95%	0.948	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	17.8	167.5	-89	174.4	0	0	0	114	C34	C34-L36 VanDerWaalsContact C-N 3.27Å; C34-L36 PolarHBondContact O-N 3.18Å; C34-L36 VanDerWaalsContact O-N 3.14Å
37	A	40.7	Very low	36.2	Very low	96 Å²	96	122.3 Å²	122.3	79%	0.793	83%	0.828	S	S	*	*	S	Bend	trans	-140.1	38.4	178.3	0	0	0	0	0	114.9
38	A	35.8	Very low	36.1	Very low	101 Å²	101	118.5 Å²	118.5	84%	0.835	82%	0.82	S	S	*	*			trans	-133.1	35.4	176.8	0	0	0	0	0	114.3
39	A	38.2	Very low	36	Very low	105 Å²	105	119.1 Å²	119.1	87%	0.868	82%	0.817	S	S	*	*			trans	-132.6	53	167	0	0	0	0	0	110.8
40	A	39.9	Very low	36.7	Very low	109 Å²	109	115.7 Å²	115.7	90%	0.901	81%	0.812	S	S	*	*			trans	-130.8	64.3	168.8	0	0	0	0	0	108.6
41	G	34	Very low	37.2	Very low	78 Å²	78	113.6 Å²	113.6	80%	0.804	81%	0.808	S	S	*	*			trans	-152.9	32.3	-179.1	0	0	0	0	0	111.9
42	A	40.2	Very low	37.9	Very low	100 Å²	100	111.8 Å²	111.8	83%	0.826	79%	0.789	S	S	*	*			trans	-91.9	104.9	163.9	0	0	0	0	0	106.9	K44	A42-K44 PolarHBondContact O-N 3.22Å
43	G	36.5	Very low	39.7	Very low	73 Å²	73	109.9 Å²	109.9	75%	0.753	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-53.2	127.5	173.4	0	0	0	0	0	110
44	K	35.1	Very low	41.6	Very low	196 Å²	196	102 Å²	102	85%	0.852	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-61.4	126	169.9	-82	-177.5	172.8	-178.3	0	108.1	A42 A46	A42-K44 PolarHBondContact O-N 3.22Å; K44-A46 PolarHBondContact O-N 3.39Å
45	P	31.5	Very low	43.9	Very low	107 Å²	107	100.8 Å²	100.8	70%	0.695	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-60.5	131.1	169.5	24	-29.1	0	0	0	108.5	G47	P45-G47 PolarHBondContact O-N 3.27Å
46	A	31.2	Very low	46	Very low	110 Å²	110	99 Å²	99	91%	0.909	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	122.5	172	0	0	0	0	0	108.6	K44	K44-A46 PolarHBondContact O-N 3.39Å
47	G	30.9	Very low	48.2	Very low	72 Å²	72	91.6 Å²	91.6	74%	0.742	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.4	19.2	178.3	0	0	0	0	0	116.5	P45 D49	P45-G47 PolarHBondContact O-N 3.27Å; G47-D49 PolarHBondContact O-N 3.26Å
48	A	32.8	Very low	50.3	Low	85 Å²	85	87 Å²	87	70%	0.702	62%	0.618	S	S	*	*			trans	-71.7	94.6	165.1	0	0	0	0	0	109.4
49	D	36.7	Very low	52.4	Low	133 Å²	133	86 Å²	86	71%	0.711	60%	0.595	S	S	*	*			trans	-45.4	144.2	167.3	-72.2	-32.6	0	0	0	110.3	G47	G47-D49 PolarHBondContact O-N 3.26Å
50	A	45.9	Very low	54.1	Low	89 Å²	89	84 Å²	84	74%	0.736	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-48.7	135.6	175.1	0	0	0	0	0	109.7	F52	A50-F52 PolarHBondContact O-N 3.19Å
51	P	50.7	Low	56.1	Low	123 Å²	123	79 Å²	79	80%	0.799	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-55.2	120.4	-177.6	20.7	-30.8	0	0	0	108.9	A53	P51-A53 PolarHBondContact O-N 3.07Å
52	F	59.6	Low	58.2	Low	69 Å²	69	76.6 Å²	76.6	30%	0.303	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-52	117.2	-178.1	174.4	-101.2	0	0	0	109.6	A50 G54 W57 I104 M107 K108	A50-F52 PolarHBondContact O-N 3.19Å; F52-G54 PolarHBondContact O-N 3.07Å; F52-W57 HydrophobicContact CZ-CB 4.13Å; F52-W57 AromaticContact CZ-CD1 3.68Å; F52-W57 AromaticContact CZ-CG 3.98Å; F52-W57 HydrophobicContact CZ-CG 3.98Å; F52-I104 HydrophobicContact CB-CG2 4.28Å; F52-I104 HydrophobicContact CD1-CG1 4.2Å; F52-I104 HydrophobicContact CD1-CG2 4.02Å; F52-I104 HydrophobicContact CG-CG2 4.12Å; F52-M107 HydrophobicContact CE1-CB 3.78Å; F52-M107 HydrophobicContact CE1-CE 3.55Å; F52-M107 HydrophobicContact CE1-CG 4.37Å; F52-M107 HydrophobicContact CE1-SD 3.68Å; F52-M107 HydrophobicContact CZ-CB 3.51Å; F52-M107 HydrophobicContact CZ-CE 3.93Å; F52-M107 HydrophobicContact CZ-CG 4.45Å; F52-M107 HydrophobicContact CZ-SD 4.29Å; F52-K108 HydrophobicContact CD2-CG 4.14Å; F52-K108 HydrophobicContact CE2-CG 4.1Å
53	A	72.1	Confident	60.2	Low	54 Å²	54	72.3 Å²	72.3	45%	0.446	47%	0.47	S	S	.	.			trans	-79.3	64.5	-173.2	0	0	0	0	0	111.2	P51 Q55 N56 W57	P51-A53 PolarHBondContact O-N 3.07Å; A53-Q55 PolarHBondContact O-N 3.31Å; A53-N56 HydrophobicContact CB-CB 4.28Å; A53-N56 PolarHBondContact O-N 3.14Å; A53-W57 PolarHBondContact O-N 3.4Å
54	G	79.6	Confident	62	Low	3 Å²	3	69.8 Å²	69.8	3%	0.031	44%	0.439	C	S	.	.	H	α-helix	trans	-56	-27.2	-174.4	0	0	0	0	0	114.4	F52 L58	F52-G54 PolarHBondContact O-N 3.07Å; G54-L58 VanDerWaalsContact O-CG 3.25Å; G54-L58 WeakPolarHBondContact O-CG 3.46Å; G54-L58 PolarHBondContact O-N 3.07Å
55	Q	78.9	Confident	63.4	Low	101 Å²	101	66.2 Å²	66.2	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-39.5	173.7	-65.8	-173.9	9.1	0	0	113.3	A53 L58 K59 L80	A53-Q55 PolarHBondContact O-N 3.31Å; Q55-L58 PolarHBondContact O-N 3.11Å; Q55-K59 WeakPolarHBondContact O-CG 3.23Å; Q55-K59 PolarHBondContact O-N 2.85Å; Q55-K59 VanDerWaalsContact O-N 3.1Å; Q55-L80 HydrophobicContact CG-CD1 4.01Å; Q55-L80 HydrophobicContact CG-CD2 4.28Å
56	N	77.9	Confident	64.6	Low	95 Å²	95	66.3 Å²	66.3	51%	0.508	43%	0.429	S	S	.	.	H	α-helix	trans	-68.8	-41.8	177.5	-71.6	-14	0	0	0	109.8	A53 L58 K59 S60	A53-N56 HydrophobicContact CB-CB 4.28Å; A53-N56 PolarHBondContact O-N 3.14Å; N56-L58 PolarHBondContact O-N 2.6Å; N56-K59 WeakPolarHBondContact O-CB 3.26Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-K59 VanDerWaalsContact O-N 3.13Å; N56-S60 PolarHBondContact O-N 3.28Å; N56-S60 PolarHBondContact O-OG 3.38Å; N56-S60 VanDerWaalsContact O-OG 3.09Å
57	W	84.6	Confident	65.4	Low	24 Å²	24	70.3 Å²	70.3	9%	0.091	42%	0.422	C	S	.	.	H	α-helix	trans	-54.5	-51.5	172.7	-170.3	106.8	0	0	0	110.9	F52 A53 K59 S60 Y61 Y63 M87 Y91 M107	F52-W57 HydrophobicContact CZ-CB 4.13Å; F52-W57 AromaticContact CZ-CD1 3.68Å; F52-W57 AromaticContact CZ-CG 3.98Å; F52-W57 HydrophobicContact CZ-CG 3.98Å; A53-W57 PolarHBondContact O-N 3.4Å; W57-K59 PolarHBondContact O-N 3.1Å; W57-S60 PolarHBondContact O-N 3.43Å; W57-S60 VanDerWaalsContact O-N 3.08Å; W57-Y61 AromaticContact CD1-CE2 3.56Å; W57-Y61 AromaticContact CD2-CD2 3.38Å; W57-Y61 HydrophobicContact CD2-CD2 3.38Å; W57-Y61 AromaticContact CD2-CE2 3.56Å; W57-Y61 HydrophobicContact CD2-CE2 3.56Å; W57-Y61 AromaticContact CE2-CD2 3.47Å; W57-Y61 VanDerWaalsContact CE2-CD2 3.47Å; W57-Y61 AromaticContact CE2-CE2 3.31Å; W57-Y61 AromaticContact CE3-CD2 3.63Å; W57-Y61 HydrophobicContact CE3-CD2 3.63Å; W57-Y61 HydrophobicContact CE3-CE2 4.29Å; W57-Y61 AromaticContact CG-CD2 3.9Å; W57-Y61 HydrophobicContact CG-CD2 3.9Å; W57-Y61 AromaticContact CG-CE2 3.75Å; W57-Y61 HydrophobicContact CG-CE2 3.75Å; W57-Y61 HydrophobicContact CH2-CD2 4.03Å; W57-Y61 AromaticContact CZ2-CD2 3.84Å; W57-Y61 HydrophobicContact CZ2-CD2 3.84Å; W57-Y61 AromaticContact CZ2-CE2 3.88Å; W57-Y61 HydrophobicContact CZ2-CE2 3.88Å; W57-Y61 AromaticContact CZ3-CD2 3.93Å; W57-Y61 HydrophobicContact CZ3-CD2 3.93Å; W57-Y61 HydrophobicContact CZ3-CG 4.47Å; W57-Y61 AromaticContact NE1-CD2 3.95Å; W57-Y61 AromaticContact NE1-CE2 3.3Å; W57-Y61 VanDerWaalsContact NE1-CE2 3.3Å; W57-Y61 WeakPolarHBondContact O-CD2 3.32Å; W57-Y61 PolarHBondContact O-N 3.41Å; W57-Y61 VanDerWaalsContact O-N 3.09Å; W57-Y63 HydrophobicContact CH2-CE2 4.38Å; W57-Y63 AromaticContact CZ3-CD2 3.97Å; W57-Y63 HydrophobicContact CZ3-CD2 3.97Å; W57-Y63 AromaticContact CZ3-CE2 3.99Å; W57-Y63 HydrophobicContact CZ3-CE2 3.99Å; W57-M87 HydrophobicContact CH2-CE 4.41Å; W57-M87 HydrophobicContact CH2-CG 3.96Å; W57-M87 HydrophobicContact CH2-SD 4.49Å; W57-M87 HydrophobicContact CZ3-CE 4.26Å; W57-M87 HydrophobicContact CZ3-CG 3.86Å; W57-Y91 AromaticContact CH2-CE2 3.82Å; W57-Y91 HydrophobicContact CH2-CE2 3.82Å; W57-Y91 WeakPolarHBondContact CH2-OH 3.24Å; W57-M107 HydrophobicContact CB-CE 3.75Å; W57-M107 HydrophobicContact CD2-CB 4.27Å; W57-M107 HydrophobicContact CD2-CE 3.33Å; W57-M107 HydrophobicContact CD2-CG 4.16Å; W57-M107 HydrophobicContact CE3-CE 3.27Å; W57-M107 HydrophobicContact CE3-CG 4.33Å; W57-M107 HydrophobicContact CG-CE 3.58Å; W57-M107 HydrophobicContact CH2-CG 4.1Å; W57-M107 HydrophobicContact CZ2-CB 4.02Å; W57-M107 HydrophobicContact CZ2-CG 3.89Å; W57-M107 HydrophobicContact CZ3-CE 3.99Å; W57-M107 HydrophobicContact CZ3-CG 4.34Å; W57-M107 PolarHBondContact NE1-O 2.73Å
58	L	84.4	Confident	66.1	Low	0 Å²	0	71.9 Å²	71.9	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-62	-31.5	180	-70.8	164.9	0	0	0	112.6	G54 Q55 N56 G62 Y63 L64 L80 A83 V84 M87 M107	G54-L58 VanDerWaalsContact O-CG 3.25Å; G54-L58 WeakPolarHBondContact O-CG 3.46Å; G54-L58 PolarHBondContact O-N 3.07Å; Q55-L58 PolarHBondContact O-N 3.11Å; N56-L58 PolarHBondContact O-N 2.6Å; L58-G62 PolarHBondContact O-N 2.72Å; L58-Y63 HydrophobicContact CD2-CD2 4.07Å; L58-Y63 HydrophobicContact CD2-CG 3.99Å; L58-Y63 WeakPolarHBondContact O-CA 3.38Å; L58-Y63 WeakPolarHBondContact O-CB 3.03Å; L58-Y63 PolarHBondContact O-N 3.12Å; L58-L64 HydrophobicContact CB-CB 3.94Å; L58-L64 PolarHBondContact O-N 2.86Å; L58-L80 HydrophobicContact CD1-CD1 3.43Å; L58-L80 VanDerWaalsContact CD1-CD1 3.43Å; L58-A83 HydrophobicContact CD1-CB 4.16Å; L58-A83 HydrophobicContact CD2-CB 4.34Å; L58-V84 HydrophobicContact CD1-CG2 3.79Å; L58-M87 HydrophobicContact CD2-CB 4.24Å; L58-M107 HydrophobicContact CG-CE 4.26Å
59	K	79.2	Confident	66.6	Low	81 Å²	81	71.1 Å²	71.1	35%	0.352	40%	0.4	S	S	.	.	H	α-helix	trans	-69.2	-45.8	173.2	-71.4	172.4	-177.1	177	0	112	Q55 N56 W57 Y61 G62 L64	Q55-K59 WeakPolarHBondContact O-CG 3.23Å; Q55-K59 PolarHBondContact O-N 2.85Å; Q55-K59 VanDerWaalsContact O-N 3.1Å; N56-K59 WeakPolarHBondContact O-CB 3.26Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-K59 VanDerWaalsContact O-N 3.13Å; W57-K59 PolarHBondContact O-N 3.1Å; K59-Y61 VanDerWaalsContact C-N 3.32Å; K59-Y61 PolarHBondContact O-N 3.37Å; K59-G62 PolarHBondContact O-N 2.78Å; K59-L64 WeakPolarHBondContact CA-O 3.45Å; K59-L64 HydrophobicContact CD-CD2 4.49Å; K59-L64 HydrophobicContact CG-CB 3.9Å; K59-L64 HydrophobicContact CG-CD2 3.97Å; K59-L64 HydrophobicContact CG-CG 4.01Å; K59-L64 WeakPolarHBondContact CG-O 3.31Å
60	S	74.3	Confident	67	Low	63 Å²	63	76.5 Å²	76.5	44%	0.441	41%	0.41	S	S	.	.	H	α-helix	trans	-61.9	-38.9	-178.2	-59.3	0	0	0	0	112.5	N56 W57	N56-S60 PolarHBondContact O-N 3.28Å; N56-S60 PolarHBondContact O-OG 3.38Å; N56-S60 VanDerWaalsContact O-OG 3.09Å; W57-S60 PolarHBondContact O-N 3.43Å; W57-S60 VanDerWaalsContact O-N 3.08Å
61	Y	83.1	Confident	66.7	Low	4 Å²	4	75.2 Å²	75.2	2%	0.016	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	8.8	-179.2	-61.8	-76	0	0	0	114.6	W57 K59 R111 C112 D116 F214	W57-Y61 AromaticContact CD1-CE2 3.56Å; W57-Y61 AromaticContact CD2-CD2 3.38Å; W57-Y61 HydrophobicContact CD2-CD2 3.38Å; W57-Y61 AromaticContact CD2-CE2 3.56Å; W57-Y61 HydrophobicContact CD2-CE2 3.56Å; W57-Y61 AromaticContact CE2-CD2 3.47Å; W57-Y61 VanDerWaalsContact CE2-CD2 3.47Å; W57-Y61 AromaticContact CE2-CE2 3.31Å; W57-Y61 AromaticContact CE3-CD2 3.63Å; W57-Y61 HydrophobicContact CE3-CD2 3.63Å; W57-Y61 HydrophobicContact CE3-CE2 4.29Å; W57-Y61 AromaticContact CG-CD2 3.9Å; W57-Y61 HydrophobicContact CG-CD2 3.9Å; W57-Y61 AromaticContact CG-CE2 3.75Å; W57-Y61 HydrophobicContact CG-CE2 3.75Å; W57-Y61 HydrophobicContact CH2-CD2 4.03Å; W57-Y61 AromaticContact CZ2-CD2 3.84Å; W57-Y61 HydrophobicContact CZ2-CD2 3.84Å; W57-Y61 AromaticContact CZ2-CE2 3.88Å; W57-Y61 HydrophobicContact CZ2-CE2 3.88Å; W57-Y61 AromaticContact CZ3-CD2 3.93Å; W57-Y61 HydrophobicContact CZ3-CD2 3.93Å; W57-Y61 HydrophobicContact CZ3-CG 4.47Å; W57-Y61 AromaticContact NE1-CD2 3.95Å; W57-Y61 AromaticContact NE1-CE2 3.3Å; W57-Y61 VanDerWaalsContact NE1-CE2 3.3Å; W57-Y61 WeakPolarHBondContact O-CD2 3.32Å; W57-Y61 PolarHBondContact O-N 3.41Å; W57-Y61 VanDerWaalsContact O-N 3.09Å; K59-Y61 VanDerWaalsContact C-N 3.32Å; K59-Y61 PolarHBondContact O-N 3.37Å; Y61-R111 VanDerWaalsContact CE1-CD 3.5Å; Y61-R111 HydrophobicContact CE1-CG 3.97Å; Y61-R111 VanDerWaalsContact CG-NH1 3.29Å; Y61-R111 VanDerWaalsContact OH-CD 3.28Å; Y61-R111 WeakPolarHBondContact OH-CD 3.48Å; Y61-R111 VanDerWaalsContact OH-CG 3.26Å; Y61-R111 WeakPolarHBondContact OH-CG 3.42Å; Y61-C112 WeakPolarHBondContact CE1-O 3.5Å; Y61-D116 PolarHBondContact O-N 3.11Å; Y61-D116 VanDerWaalsContact O-N 3.13Å; Y61-F214 HydrophobicContact CD1-CE1 4.2Å; Y61-F214 AromaticContact CE1-CD1 3.73Å; Y61-F214 HydrophobicContact CE1-CD1 3.73Å; Y61-F214 AromaticContact CE1-CE1 3.31Å; Y61-F214 HydrophobicContact CE1-CE1 3.31Å; Y61-F214 HydrophobicContact CE1-CZ 4.48Å; Y61-F214 AromaticContact CE2-CE1 3.76Å; Y61-F214 HydrophobicContact CE2-CE1 3.76Å; Y61-F214 HydrophobicContact CE2-CZ 4.36Å; Y61-F214 AromaticContact CZ-CD1 3.52Å; Y61-F214 AromaticContact CZ-CE1 3.05Å; Y61-F214 WeakPolarHBondContact OH-CD1 3.36Å; Y61-F214 WeakPolarHBondContact OH-CE1 3.38Å
62	G	77.6	Confident	66.4	Low	27 Å²	27	72.8 Å²	72.8	28%	0.278	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	15.3	171.8	0	0	0	0	0	116.2	L58 K59	L58-G62 PolarHBondContact O-N 2.72Å; K59-G62 PolarHBondContact O-N 2.78Å
63	Y	81.4	Confident	65.8	Low	9 Å²	9	73.7 Å²	73.7	4%	0.035	41%	0.406	C	S	.	.	S	Bend	trans	-85.5	-26.8	174.3	-66.8	-77.7	0	0	0	113.4	W57 L58 A83 T86 M87 F90 Y91 D116 P118	W57-Y63 HydrophobicContact CH2-CE2 4.38Å; W57-Y63 AromaticContact CZ3-CD2 3.97Å; W57-Y63 HydrophobicContact CZ3-CD2 3.97Å; W57-Y63 AromaticContact CZ3-CE2 3.99Å; W57-Y63 HydrophobicContact CZ3-CE2 3.99Å; L58-Y63 HydrophobicContact CD2-CD2 4.07Å; L58-Y63 HydrophobicContact CD2-CG 3.99Å; L58-Y63 WeakPolarHBondContact O-CA 3.38Å; L58-Y63 WeakPolarHBondContact O-CB 3.03Å; L58-Y63 PolarHBondContact O-N 3.12Å; Y63-A83 WeakPolarHBondContact O-CB 3.22Å; Y63-T86 HydrophobicContact CD1-CG2 4.12Å; Y63-T86 HydrophobicContact CE1-CG2 4.18Å; Y63-M87 HydrophobicContact CD1-CB 3.79Å; Y63-M87 HydrophobicContact CD2-CB 4.21Å; Y63-M87 HydrophobicContact CD2-CG 4.34Å; Y63-M87 HydrophobicContact CE1-CB 3.61Å; Y63-M87 HydrophobicContact CE1-CG 4.24Å; Y63-M87 HydrophobicContact CE2-CB 4.03Å; Y63-M87 HydrophobicContact CE2-CG 3.87Å; Y63-M87 HydrophobicContact CG-CB 4.09Å; Y63-F90 VanDerWaalsContact OH-CD1 3.31Å; Y63-F90 WeakPolarHBondContact OH-CD1 3.39Å; Y63-Y91 VanDerWaalsContact CE2-OH 3.31Å; Y63-Y91 WeakPolarHBondContact CE2-OH 3.38Å; Y63-Y91 WeakPolarHBondContact OH-CE1 3.18Å; Y63-Y91 VanDerWaalsContact OH-CZ 3.28Å; Y63-Y91 PolarHBondContact OH-OH 2.91Å; Y63-D116 HydrophobicContact CE2-CB 4.24Å; Y63-D116 WeakPolarHBondContact CE2-OD2 3.5Å; Y63-D116 PolarHBondContact OH-OD2 2.62Å; Y63-P118 HydrophobicContact CD1-CG 3.78Å; Y63-P118 HydrophobicContact CE1-CB 4.23Å; Y63-P118 HydrophobicContact CE1-CG 3.75Å
64	L	75	Confident	64.4	Low	20 Å²	20	78.2 Å²	78.2	11%	0.105	42%	0.422	C	S	.	.	S	Bend	trans	-125.5	124	179	-172.8	64.1	0	0	0	109.8	L58 K59 A79 A83	L58-L64 HydrophobicContact CB-CB 3.94Å; L58-L64 PolarHBondContact O-N 2.86Å; K59-L64 WeakPolarHBondContact CA-O 3.45Å; K59-L64 HydrophobicContact CD-CD2 4.49Å; K59-L64 HydrophobicContact CG-CB 3.9Å; K59-L64 HydrophobicContact CG-CD2 3.97Å; K59-L64 HydrophobicContact CG-CG 4.01Å; K59-L64 WeakPolarHBondContact CG-O 3.31Å; L64-A79 HydrophobicContact CD1-CB 4.23Å; L64-A83 HydrophobicContact CB-CB 4.45Å
65	L	64.1	Low	63	Low	121 Å²	121	83.1 Å²	83.1	63%	0.634	44%	0.444	S	S	*	.			trans	-68.9	137.2	-177.6	-65.3	173.8	0	0	0	111	Y67	L65-Y67 PolarHBondContact O-N 2.81Å; L65-Y67 VanDerWaalsContact O-N 3.07Å
66	P	57.1	Low	62.3	Low	109 Å²	109	81.3 Å²	81.3	71%	0.708	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.4	-179.6	-26.1	34	0	0	0	114.9
67	Y	48.5	Very low	62	Low	194 Å²	194	78.8 Å²	78.8	76%	0.761	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	36.2	-168.5	-163.9	-102.1	0	0	0	114.7	L65 S69	L65-Y67 PolarHBondContact O-N 2.81Å; L65-Y67 VanDerWaalsContact O-N 3.07Å; Y67-S69 PolarHBondContact O-N 2.97Å
68	E	43.9	Very low	61.6	Low	105 Å²	105	85.2 Å²	85.2	49%	0.491	47%	0.467	S	S	.	.			trans	-74	66	157	-70.4	-166.8	-178.4	0	0	109.8	R70 A79	E68-R70 PolarHBondContact O-N 3.35Å; E68-A79 WeakPolarHBondContact OE2-CB 3.34Å
69	S	43.6	Very low	61.4	Low	70 Å²	70	86.1 Å²	86.1	49%	0.49	48%	0.475	S	S	.	.			trans	-68.5	106.3	175.4	-162.5	0	0	0	0	108.1	Y67 A71	Y67-S69 PolarHBondContact O-N 2.97Å; S69-A71 VanDerWaalsContact C-N 3.34Å; S69-A71 PolarHBondContact O-N 3.36Å
70	R	45.6	Very low	61.6	Low	245 Å²	245	84 Å²	84	93%	0.925	47%	0.467	S	S	*	.	S	Bend	trans	65.3	4.4	162.5	-77.9	-179.9	162.5	154.4	-3.1	119.9	E68 S72	E68-R70 PolarHBondContact O-N 3.35Å; R70-S72 PolarHBondContact O-N 3.12Å
71	A	40.2	Very low	62.1	Low	63 Å²	63	86.1 Å²	86.1	52%	0.521	47%	0.47	S	S	.	.	S	Bend	trans	-76.2	71.1	174.9	0	0	0	0	0	112.5	S69 H75	S69-A71 VanDerWaalsContact C-N 3.34Å; S69-A71 PolarHBondContact O-N 3.36Å; A71-H75 VanDerWaalsContact O-CB 3.27Å; A71-H75 WeakPolarHBondContact O-CB 3.41Å; A71-H75 PolarHBondContact O-ND1 3.39Å
72	S	43.9	Very low	62.2	Low	71 Å²	71	88.9 Å²	88.9	50%	0.497	49%	0.49	S	S	.	.			trans	58.7	126.8	170.5	-66.4	0	0	0	0	116.6	R70 L74 H75 S76	R70-S72 PolarHBondContact O-N 3.12Å; S72-L74 PolarHBondContact O-N 2.87Å; S72-H75 PolarHBondContact O-N 2.98Å; S72-S76 PolarHBondContact O-N 3.37Å
73	A	47	Very low	62.7	Low	88 Å²	88	87.8 Å²	87.8	73%	0.727	48%	0.478	S	S	*	.	H	α-helix	trans	-46.6	-26.5	168.7	0	0	0	0	0	113.6	S76	A73-S76 PolarHBondContact O-N 3.1Å; A73-S76 PolarHBondContact O-OG 3.27Å
74	L	41.7	Very low	63.1	Low	149 Å²	149	87.4 Å²	87.4	78%	0.78	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-38.2	171.3	-80.7	145.1	0	0	0	115.2	S72	S72-L74 PolarHBondContact O-N 2.87Å
75	H	50.3	Low	63.8	Low	106 Å²	106	88 Å²	88	49%	0.491	48%	0.482	S	S	.	.	H	α-helix	trans	-75.9	-31.3	175.3	-63.4	89.7	0	0	0	111.3	A71 S72 G77 K78 A79	A71-H75 VanDerWaalsContact O-CB 3.27Å; A71-H75 WeakPolarHBondContact O-CB 3.41Å; A71-H75 PolarHBondContact O-ND1 3.39Å; S72-H75 PolarHBondContact O-N 2.98Å; H75-G77 PolarHBondContact O-N 3.01Å; H75-K78 PolarHBondContact O-N 2.97Å; H75-K78 VanDerWaalsContact O-N 3.17Å; H75-A79 VanDerWaalsContact O-CB 3.25Å; H75-A79 WeakPolarHBondContact O-CB 3.4Å; H75-A79 PolarHBondContact O-N 3.36Å
76	S	64.4	Low	64.8	Low	64 Å²	64	83.4 Å²	83.4	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-58.2	-36.7	179.9	76.4	0	0	0	0	112.7	S72 A73 L80	S72-S76 PolarHBondContact O-N 3.37Å; A73-S76 PolarHBondContact O-N 3.1Å; A73-S76 PolarHBondContact O-OG 3.27Å; S76-L80 WeakPolarHBondContact O-CB 3.31Å; S76-L80 PolarHBondContact O-N 3.27Å
77	G	71.9	Confident	66.3	Low	41 Å²	41	78.2 Å²	78.2	42%	0.423	43%	0.426	S	S	.	.	H	α-helix	trans	-68.9	-44.8	176.4	0	0	0	0	0	113.4	H75 Q81	H75-G77 PolarHBondContact O-N 3.01Å; G77-Q81 WeakPolarHBondContact O-CB 3.23Å; G77-Q81 PolarHBondContact O-N 3.45Å
78	K	77	Confident	68.3	Low	159 Å²	159	69 Å²	69	69%	0.691	39%	0.39	S	S	*	.	H	α-helix	trans	-69.9	-41.1	177.6	-72.8	-174	178.7	-178.9	0	112.4	H75 L80 Q81 S82	H75-K78 PolarHBondContact O-N 2.97Å; H75-K78 VanDerWaalsContact O-N 3.17Å; K78-L80 VanDerWaalsContact C-N 3.34Å; K78-Q81 PolarHBondContact O-N 3.42Å; K78-S82 VanDerWaalsContact O-CB 3.29Å; K78-S82 WeakPolarHBondContact O-CB 3.18Å; K78-S82 PolarHBondContact O-N 3.39Å
79	A	79.6	Confident	70.4	Confident	20 Å²	20	70.9 Å²	70.9	17%	0.165	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-45.1	175.3	0	0	0	0	0	110.3	L64 E68 H75 S82 A83	L64-A79 HydrophobicContact CD1-CB 4.23Å; E68-A79 WeakPolarHBondContact OE2-CB 3.34Å; H75-A79 VanDerWaalsContact O-CB 3.25Å; H75-A79 WeakPolarHBondContact O-CB 3.4Å; H75-A79 PolarHBondContact O-N 3.36Å; A79-S82 PolarHBondContact O-N 3.29Å; A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.29Å; A79-A83 PolarHBondContact O-N 2.88Å
80	L	83.6	Confident	72.2	Confident	37 Å²	37	69.6 Å²	69.6	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-61.3	-49.9	174.4	-178.6	59.7	0	0	0	111.7	Q55 L58 S76 K78 S82 A83 V84	Q55-L80 HydrophobicContact CG-CD1 4.01Å; Q55-L80 HydrophobicContact CG-CD2 4.28Å; L58-L80 HydrophobicContact CD1-CD1 3.43Å; L58-L80 VanDerWaalsContact CD1-CD1 3.43Å; S76-L80 WeakPolarHBondContact O-CB 3.31Å; S76-L80 PolarHBondContact O-N 3.27Å; K78-L80 VanDerWaalsContact C-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.28Å; L80-S82 PolarHBondContact O-N 3.41Å; L80-A83 WeakPolarHBondContact O-CB 3.27Å; L80-A83 PolarHBondContact O-N 3.11Å; L80-A83 VanDerWaalsContact O-N 3.15Å; L80-V84 HydrophobicContact CD1-CG2 4.14Å; L80-V84 HydrophobicContact CG-CG2 4.44Å; L80-V84 VanDerWaalsContact O-CG2 3.24Å; L80-V84 WeakPolarHBondContact O-CG2 3.14Å; L80-V84 PolarHBondContact O-N 2.67Å
81	Q	85.3	Confident	73.9	Confident	107 Å²	107	59.1 Å²	59.1	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-58	-41.8	178.2	-177.6	175.4	31.1	0	0	111.9	G77 K78 S85 G97	G77-Q81 WeakPolarHBondContact O-CB 3.23Å; G77-Q81 PolarHBondContact O-N 3.45Å; K78-Q81 PolarHBondContact O-N 3.42Å; Q81-S85 WeakPolarHBondContact O-CB 3.29Å; Q81-S85 PolarHBondContact O-N 3.31Å; Q81-S85 PolarHBondContact O-OG 3.22Å; Q81-G97 WeakPolarHBondContact CA-O 3.48Å; Q81-G97 WeakPolarHBondContact CG-O 3.48Å
82	S	85.2	Confident	75.9	Confident	62 Å²	62	59.4 Å²	59.4	43%	0.434	35%	0.354	S	S	.	.	H	α-helix	trans	-67.7	-38.8	176.5	-171.2	0	0	0	0	112.6	K78 A79 L80 S85 T86	K78-S82 VanDerWaalsContact O-CB 3.29Å; K78-S82 WeakPolarHBondContact O-CB 3.18Å; K78-S82 PolarHBondContact O-N 3.39Å; A79-S82 PolarHBondContact O-N 3.29Å; L80-S82 VanDerWaalsContact C-N 3.28Å; L80-S82 PolarHBondContact O-N 3.41Å; S82-S85 WeakPolarHBondContact CA-OG 3.35Å; S82-S85 PolarHBondContact O-OG 3.13Å; S82-S85 VanDerWaalsContact O-OG 3.04Å; S82-T86 VanDerWaalsContact O-CB 3.3Å; S82-T86 WeakPolarHBondContact O-CB 3.36Å; S82-T86 PolarHBondContact O-N 3.12Å; S82-T86 PolarHBondContact O-OG1 2.7Å
83	A	86.7	Confident	78	Confident	3 Å²	3	56.7 Å²	56.7	3%	0.025	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176.9	0	0	0	0	0	110.6	L58 Y63 L64 A79 L80 T86 M87	L58-A83 HydrophobicContact CD1-CB 4.16Å; L58-A83 HydrophobicContact CD2-CB 4.34Å; Y63-A83 WeakPolarHBondContact O-CB 3.22Å; L64-A83 HydrophobicContact CB-CB 4.45Å; A79-A83 VanDerWaalsContact O-CB 3.29Å; A79-A83 WeakPolarHBondContact O-CB 3.29Å; A79-A83 PolarHBondContact O-N 2.88Å; L80-A83 WeakPolarHBondContact O-CB 3.27Å; L80-A83 PolarHBondContact O-N 3.11Å; L80-A83 VanDerWaalsContact O-N 3.15Å; A83-T86 PolarHBondContact O-N 3Å; A83-M87 WeakPolarHBondContact O-CB 3.47Å; A83-M87 PolarHBondContact O-N 3.1Å
84	V	90.3	Very high	80	Confident	1 Å²	1	57 Å²	57	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-46.6	177.1	177.3	0	0	0	0	111.1	L58 L80 T86 M87 Q88 L99 T103	L58-V84 HydrophobicContact CD1-CG2 3.79Å; L80-V84 HydrophobicContact CD1-CG2 4.14Å; L80-V84 HydrophobicContact CG-CG2 4.44Å; L80-V84 VanDerWaalsContact O-CG2 3.24Å; L80-V84 WeakPolarHBondContact O-CG2 3.14Å; L80-V84 PolarHBondContact O-N 2.67Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.43Å; V84-M87 WeakPolarHBondContact O-CB 3.5Å; V84-M87 PolarHBondContact O-N 3.23Å; V84-Q88 HydrophobicContact CG1-CG 4.28Å; V84-Q88 WeakPolarHBondContact O-CB 3.38Å; V84-Q88 VanDerWaalsContact O-CG 3.27Å; V84-Q88 WeakPolarHBondContact O-CG 3.18Å; V84-Q88 PolarHBondContact O-N 3.26Å; V84-L99 HydrophobicContact CG1-CD2 4.47Å; V84-L99 HydrophobicContact CG2-CD2 3.82Å; V84-L99 HydrophobicContact CG2-CG 4Å; V84-T103 HydrophobicContact CG1-CG2 4.27Å
85	S	89	Confident	82.4	Confident	32 Å²	32	54 Å²	54	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-37.4	179.6	64.8	0	0	0	0	112.6	Q81 S82 M87 Q88 Q89	Q81-S85 WeakPolarHBondContact O-CB 3.29Å; Q81-S85 PolarHBondContact O-N 3.31Å; Q81-S85 PolarHBondContact O-OG 3.22Å; S82-S85 WeakPolarHBondContact CA-OG 3.35Å; S82-S85 PolarHBondContact O-OG 3.13Å; S82-S85 VanDerWaalsContact O-OG 3.04Å; S85-M87 VanDerWaalsContact C-N 3.35Å; S85-Q88 PolarHBondContact O-N 2.7Å; S85-Q89 VanDerWaalsContact O-CB 3.26Å; S85-Q89 WeakPolarHBondContact O-CB 3.24Å; S85-Q89 PolarHBondContact O-N 2.83Å
86	T	86.3	Confident	84.4	Confident	26 Å²	26	52 Å²	52	16%	0.16	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-43	175	-57.9	0	0	0	0	110.8	Y63 S82 A83 V84 F90 P118	Y63-T86 HydrophobicContact CD1-CG2 4.12Å; Y63-T86 HydrophobicContact CE1-CG2 4.18Å; S82-T86 VanDerWaalsContact O-CB 3.3Å; S82-T86 WeakPolarHBondContact O-CB 3.36Å; S82-T86 PolarHBondContact O-N 3.12Å; S82-T86 PolarHBondContact O-OG1 2.7Å; A83-T86 PolarHBondContact O-N 3Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.43Å; T86-F90 WeakPolarHBondContact O-CB 3.37Å; T86-F90 PolarHBondContact O-N 3.08Å; T86-P118 HydrophobicContact CG2-CB 3.48Å; T86-P118 VanDerWaalsContact CG2-CB 3.48Å; T86-P118 HydrophobicContact CG2-CG 3.75Å
87	M	88.2	Confident	85.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-50.4	175.3	178.3	-88.7	-84.7	0	0	111.7	W57 L58 Y63 A83 V84 S85 Q89 F90 Y91 I93 T103 M107	W57-M87 HydrophobicContact CH2-CE 4.41Å; W57-M87 HydrophobicContact CH2-CG 3.96Å; W57-M87 HydrophobicContact CH2-SD 4.49Å; W57-M87 HydrophobicContact CZ3-CE 4.26Å; W57-M87 HydrophobicContact CZ3-CG 3.86Å; L58-M87 HydrophobicContact CD2-CB 4.24Å; Y63-M87 HydrophobicContact CD1-CB 3.79Å; Y63-M87 HydrophobicContact CD2-CB 4.21Å; Y63-M87 HydrophobicContact CD2-CG 4.34Å; Y63-M87 HydrophobicContact CE1-CB 3.61Å; Y63-M87 HydrophobicContact CE1-CG 4.24Å; Y63-M87 HydrophobicContact CE2-CB 4.03Å; Y63-M87 HydrophobicContact CE2-CG 3.87Å; Y63-M87 HydrophobicContact CG-CB 4.09Å; A83-M87 WeakPolarHBondContact O-CB 3.47Å; A83-M87 PolarHBondContact O-N 3.1Å; V84-M87 WeakPolarHBondContact O-CB 3.5Å; V84-M87 PolarHBondContact O-N 3.23Å; S85-M87 VanDerWaalsContact C-N 3.35Å; M87-Q89 VanDerWaalsContact C-N 3.31Å; M87-Q89 PolarHBondContact O-N 2.96Å; M87-F90 PolarHBondContact O-N 3.49Å; M87-F90 VanDerWaalsContact O-N 3.15Å; M87-Y91 HydrophobicContact CG-CD2 3.72Å; M87-Y91 HydrophobicContact CG-CE2 3.21Å; M87-Y91 WeakPolarHBondContact O-CD2 3.38Å; M87-Y91 PolarHBondContact O-N 3.29Å; M87-Y91 HydrophobicContact SD-CD2 3.34Å; M87-Y91 WeakPolarHBondContact SD-CD2 3.46Å; M87-Y91 HydrophobicContact SD-CE2 3.31Å; M87-Y91 WeakPolarHBondContact SD-CE2 3.5Å; M87-I93 HydrophobicContact SD-CD1 4.37Å; M87-T103 HydrophobicContact CE-CG2 3.46Å; M87-T103 VanDerWaalsContact CE-CG2 3.46Å; M87-M107 HydrophobicContact CE-CE 4.3Å; M87-M107 HydrophobicContact CE-CG 3.52Å; M87-M107 HydrophobicContact CE-SD 3.62Å
88	Q	91	Very high	86.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-43.7	178.7	-72.4	168.1	-25.1	0	0	111.9	V84 S85 Y91 G92 I93 V95 T96 V98 T103	V84-Q88 HydrophobicContact CG1-CG 4.28Å; V84-Q88 WeakPolarHBondContact O-CB 3.38Å; V84-Q88 VanDerWaalsContact O-CG 3.27Å; V84-Q88 WeakPolarHBondContact O-CG 3.18Å; V84-Q88 PolarHBondContact O-N 3.26Å; S85-Q88 PolarHBondContact O-N 2.7Å; Q88-Y91 PolarHBondContact O-N 2.77Å; Q88-G92 PolarHBondContact O-N 2.9Å; Q88-I93 HydrophobicContact CB-CD1 4.29Å; Q88-I93 HydrophobicContact CB-CG1 3.78Å; Q88-I93 HydrophobicContact CG-CD1 3.81Å; Q88-I93 HydrophobicContact CG-CG1 3.84Å; Q88-I93 PolarHBondContact O-N 3.39Å; Q88-V95 HydrophobicContact CB-CG2 4.22Å; Q88-T96 PolarHBondContact NE2-OG1 3.06Å; Q88-V98 PolarHBondContact NE2-O 3.12Å; Q88-T103 HydrophobicContact CG-CG2 4.4Å; Q88-T103 PolarHBondContact NE2-OG1 3.03Å
89	Q	87.3	Confident	87	Confident	144 Å²	144	46.3 Å²	46.3	67%	0.673	28%	0.278	S	S	*	.	H	α-helix	trans	-63.5	-42.7	177.1	-178.2	178.3	3.5	0	0	111.9	S85 M87 Y91 G92 V95	S85-Q89 VanDerWaalsContact O-CB 3.26Å; S85-Q89 WeakPolarHBondContact O-CB 3.24Å; S85-Q89 PolarHBondContact O-N 2.83Å; M87-Q89 VanDerWaalsContact C-N 3.31Å; M87-Q89 PolarHBondContact O-N 2.96Å; Q89-Y91 VanDerWaalsContact C-N 3.31Å; Q89-Y91 PolarHBondContact O-N 2.94Å; Q89-G92 PolarHBondContact O-N 3.15Å; Q89-V95 HydrophobicContact CB-CG2 4.13Å
90	F	81.4	Confident	87.5	Confident	43 Å²	43	47.5 Å²	47.5	19%	0.189	28%	0.281	C	S	.	.	H	α-helix	trans	-64.8	-36.5	-179.8	-176.1	-103.8	0	0	0	111.8	Y63 T86 M87 D116 H265 N267 P275	Y63-F90 VanDerWaalsContact OH-CD1 3.31Å; Y63-F90 WeakPolarHBondContact OH-CD1 3.39Å; T86-F90 WeakPolarHBondContact O-CB 3.37Å; T86-F90 PolarHBondContact O-N 3.08Å; M87-F90 PolarHBondContact O-N 3.49Å; M87-F90 VanDerWaalsContact O-N 3.15Å; F90-D116 HydrophobicContact CD1-CB 4.25Å; F90-D116 HydrophobicContact CE1-CB 3.83Å; F90-D116 HydrophobicContact CZ-CB 4.25Å; F90-H265 HydrophobicContact CZ-CB 4.24Å; F90-N267 HydrophobicContact CD2-CB 4.4Å; F90-N267 HydrophobicContact CE2-CB 4.15Å; F90-P275 HydrophobicContact CE1-CG 3.7Å; F90-P275 HydrophobicContact CZ-CG 4.49Å
91	Y	81.8	Confident	87.9	Confident	26 Å²	26	51.5 Å²	51.5	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-88.9	-2	178.1	-55.8	-32.7	0	0	0	115.1	W57 Y63 M87 Q88 Q89 I93 R111 D116 P275 F276	W57-Y91 AromaticContact CH2-CE2 3.82Å; W57-Y91 HydrophobicContact CH2-CE2 3.82Å; W57-Y91 WeakPolarHBondContact CH2-OH 3.24Å; Y63-Y91 VanDerWaalsContact CE2-OH 3.31Å; Y63-Y91 WeakPolarHBondContact CE2-OH 3.38Å; Y63-Y91 WeakPolarHBondContact OH-CE1 3.18Å; Y63-Y91 VanDerWaalsContact OH-CZ 3.28Å; Y63-Y91 PolarHBondContact OH-OH 2.91Å; M87-Y91 HydrophobicContact CG-CD2 3.72Å; M87-Y91 HydrophobicContact CG-CE2 3.21Å; M87-Y91 WeakPolarHBondContact O-CD2 3.38Å; M87-Y91 PolarHBondContact O-N 3.29Å; M87-Y91 HydrophobicContact SD-CD2 3.34Å; M87-Y91 WeakPolarHBondContact SD-CD2 3.46Å; M87-Y91 HydrophobicContact SD-CE2 3.31Å; M87-Y91 WeakPolarHBondContact SD-CE2 3.5Å; Q88-Y91 PolarHBondContact O-N 2.77Å; Q89-Y91 VanDerWaalsContact C-N 3.31Å; Q89-Y91 PolarHBondContact O-N 2.94Å; Y91-I93 VanDerWaalsContact C-N 3.28Å; Y91-I93 PolarHBondContact O-N 2.88Å; Y91-R111 VanDerWaalsContact OH-CZ 3.29Å; Y91-R111 PolarHBondContact OH-NH1 3.19Å; Y91-R111 PolarHBondContact OH-NH2 3.32Å; Y91-D116 PolarHBondContact OH-OD2 2.93Å; Y91-P275 HydrophobicContact CD1-CG 4.44Å; Y91-P275 HydrophobicContact CE1-CB 4.31Å; Y91-P275 HydrophobicContact CE1-CG 3.93Å; Y91-F276 HydrophobicContact CD1-CD2 4.33Å; Y91-F276 AromaticContact CD1-CE2 3.69Å; Y91-F276 HydrophobicContact CD1-CE2 3.69Å; Y91-F276 AromaticContact CD2-CE2 3.36Å; Y91-F276 HydrophobicContact CD2-CE2 3.36Å; Y91-F276 AromaticContact CD2-CZ 3.62Å; Y91-F276 HydrophobicContact CD2-CZ 3.62Å; Y91-F276 AromaticContact CE1-CE2 3.95Å; Y91-F276 HydrophobicContact CE1-CE2 3.95Å; Y91-F276 HydrophobicContact CE1-CZ 4.42Å; Y91-F276 AromaticContact CE2-CE2 3.58Å; Y91-F276 HydrophobicContact CE2-CE2 3.58Å; Y91-F276 AromaticContact CE2-CZ 3.45Å; Y91-F276 HydrophobicContact CE2-CZ 3.45Å; Y91-F276 VanDerWaalsContact CE2-CZ 3.45Å; Y91-F276 HydrophobicContact CG-CD2 4.38Å; Y91-F276 AromaticContact CG-CE2 3.45Å; Y91-F276 HydrophobicContact CG-CE2 3.45Å; Y91-F276 VanDerWaalsContact CG-CE2 3.45Å; Y91-F276 HydrophobicContact CG-CZ 4.18Å; Y91-F276 AromaticContact CZ-CE2 3.95Å; Y91-F276 AromaticContact CZ-CZ 3.97Å
92	G	82	Confident	88.1	Confident	68 Å²	68	49.6 Å²	49.6	70%	0.701	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	23.8	-179.4	0	0	0	0	0	114.6	Q88 Q89	Q88-G92 PolarHBondContact O-N 2.9Å; Q89-G92 PolarHBondContact O-N 3.15Å
93	I	87.1	Confident	88.4	Confident	14 Å²	14	46.7 Å²	46.7	7%	0.072	28%	0.275	C	S	.	.	S	Bend	trans	-93.8	161.8	173.5	64.4	170.8	0	0	0	110.4	M87 Q88 Y91 V95 W106	M87-I93 HydrophobicContact SD-CD1 4.37Å; Q88-I93 HydrophobicContact CB-CD1 4.29Å; Q88-I93 HydrophobicContact CB-CG1 3.78Å; Q88-I93 HydrophobicContact CG-CD1 3.81Å; Q88-I93 HydrophobicContact CG-CG1 3.84Å; Q88-I93 PolarHBondContact O-N 3.39Å; Y91-I93 VanDerWaalsContact C-N 3.28Å; Y91-I93 PolarHBondContact O-N 2.88Å; I93-V95 PolarHBondContact O-N 3.23Å; I93-V95 VanDerWaalsContact O-N 3.15Å; I93-W106 HydrophobicContact CD1-CB 4.2Å; I93-W106 HydrophobicContact CD1-CG 4.1Å; I93-W106 HydrophobicContact CG2-CD2 3.82Å; I93-W106 VanDerWaalsContact CG2-CE2 3.47Å; I93-W106 HydrophobicContact CG2-CE3 4.48Å; I93-W106 HydrophobicContact CG2-CG 4.06Å; I93-W106 HydrophobicContact CG2-CZ2 3.87Å
94	P	89.6	Confident	88.6	Confident	94 Å²	94	48.1 Å²	48.1	61%	0.61	28%	0.282	S	S	*	.			trans	-52.6	122.8	-178.5	-28.1	36.1	0	0	0	112.5	T96	P94-T96 PolarHBondContact O-N 3.49Å; P94-T96 VanDerWaalsContact O-N 3.1Å
95	V	92.4	Very high	88.6	Confident	88 Å²	88	52.9 Å²	52.9	53%	0.533	30%	0.304	S	S	.	.			trans	-82	92.4	-176.3	-174	0	0	0	0	109.7	Q88 Q89 I93	Q88-V95 HydrophobicContact CB-CG2 4.22Å; Q89-V95 HydrophobicContact CB-CG2 4.13Å; I93-V95 PolarHBondContact O-N 3.23Å; I93-V95 VanDerWaalsContact O-N 3.15Å
96	T	92.3	Very high	88.5	Confident	63 Å²	63	55 Å²	55	39%	0.387	31%	0.307	S	S	.	.			trans	-98.9	-24.1	177.7	65.5	0	0	0	0	112.7	Q88 P94 V98 D100	Q88-T96 PolarHBondContact NE2-OG1 3.06Å; P94-T96 PolarHBondContact O-N 3.49Å; P94-T96 VanDerWaalsContact O-N 3.1Å; T96-V98 PolarHBondContact O-N 2.97Å; T96-V98 PolarHBondContact OG1-N 3.25Å; T96-V98 PolarHBondContact OG1-O 3.19Å; T96-D100 WeakPolarHBondContact CB-OD2 3.46Å; T96-D100 VanDerWaalsContact CG2-OD2 3.24Å; T96-D100 WeakPolarHBondContact CG2-OD2 3.34Å; T96-D100 PolarHBondContact OG1-OD2 2.93Å
97	G	89.3	Confident	88.7	Confident	7 Å²	7	53.9 Å²	53.9	7%	0.072	30%	0.3	C	S	.	.	S	Bend	trans	68.3	10	-171.4	0	0	0	0	0	113.7	Q81	Q81-G97 WeakPolarHBondContact CA-O 3.48Å; Q81-G97 WeakPolarHBondContact CG-O 3.48Å
98	V	90.3	Very high	88.7	Confident	85 Å²	85	59.4 Å²	59.4	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	-121.4	144.1	-177.9	-179.2	0	0	0	0	108.9	Q88 T96 D100 T103	Q88-V98 PolarHBondContact NE2-O 3.12Å; T96-V98 PolarHBondContact O-N 2.97Å; T96-V98 PolarHBondContact OG1-N 3.25Å; T96-V98 PolarHBondContact OG1-O 3.19Å; V98-D100 PolarHBondContact O-N 3.39Å; V98-T103 PolarHBondContact O-OG1 3.13Å
99	L	88.7	Confident	88.5	Confident	52 Å²	52	63.3 Å²	63.3	27%	0.272	34%	0.341	S	S	.	.			trans	-72.7	65.7	169.2	-66.4	175.2	0	0	0	109.8	V84 T103 I104 M107	V84-L99 HydrophobicContact CG1-CD2 4.47Å; V84-L99 HydrophobicContact CG2-CD2 3.82Å; V84-L99 HydrophobicContact CG2-CG 4Å; L99-T103 HydrophobicContact CD2-CG2 4.17Å; L99-I104 HydrophobicContact CB-CG1 4.45Å; L99-M107 HydrophobicContact CD2-CE 4.02Å; L99-M107 HydrophobicContact CD2-SD 3.49Å; L99-M107 WeakPolarHBondContact CD2-SD 3.2Å
100	D	90.6	Very high	88.7	Confident	45 Å²	45	58.3 Å²	58.3	24%	0.241	32%	0.321	C	S	.	.			trans	-72.9	169.7	173.3	58.8	39.2	0	0	0	111.4	T96 V98 T102 T103 I104	T96-D100 WeakPolarHBondContact CB-OD2 3.46Å; T96-D100 VanDerWaalsContact CG2-OD2 3.24Å; T96-D100 WeakPolarHBondContact CG2-OD2 3.34Å; T96-D100 PolarHBondContact OG1-OD2 2.93Å; V98-D100 PolarHBondContact O-N 3.39Å; D100-T102 VanDerWaalsContact C-N 3.29Å; D100-T102 PolarHBondContact O-N 3.07Å; D100-T102 PolarHBondContact OD1-N 3.12Å; D100-T103 WeakPolarHBondContact O-CB 3.5Å; D100-T103 PolarHBondContact O-N 3.11Å; D100-T103 VanDerWaalsContact O-N 3.11Å; D100-T103 WeakPolarHBondContact OD1-CB 3.39Å; D100-T103 PolarHBondContact OD1-N 3.05Å; D100-T103 PolarHBondContact OD1-OG1 3.5Å; D100-I104 WeakPolarHBondContact O-CG1 3.24Å; D100-I104 PolarHBondContact O-N 3.3Å
101	Q	90.4	Very high	89.2	Confident	121 Å²	121	56.2 Å²	56.2	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-57.9	-43	-175.6	-177.2	59.2	27.7	0	0	111.8	T103 I104 E105	Q101-T103 PolarHBondContact O-N 3.33Å; Q101-I104 PolarHBondContact O-N 3.37Å; Q101-E105 WeakPolarHBondContact CG-OE1 3.45Å; Q101-E105 PolarHBondContact NE2-OE1 2.85Å; Q101-E105 WeakPolarHBondContact O-CB 3.45Å; Q101-E105 VanDerWaalsContact O-CG 3.3Å; Q101-E105 WeakPolarHBondContact O-CG 3.41Å; Q101-E105 PolarHBondContact O-N 3.08Å
102	T	90.9	Very high	89.6	Confident	67 Å²	67	55.2 Å²	55.2	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-59.6	-46.6	175.7	-51.5	0	0	0	0	111.2	D100 I104 E105 W106	D100-T102 VanDerWaalsContact C-N 3.29Å; D100-T102 PolarHBondContact O-N 3.07Å; D100-T102 PolarHBondContact OD1-N 3.12Å; T102-I104 VanDerWaalsContact C-N 3.35Å; T102-I104 PolarHBondContact O-N 3.41Å; T102-E105 WeakPolarHBondContact O-CB 3.46Å; T102-E105 PolarHBondContact O-N 2.92Å; T102-W106 PolarHBondContact O-N 2.85Å
103	T	91	Very high	89.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	28%	0.279	C	S	.	.	H	α-helix	trans	-62.2	-43	178.8	-58.7	0	0	0	0	111	V84 M87 Q88 V98 L99 D100 Q101 W106 M107	V84-T103 HydrophobicContact CG1-CG2 4.27Å; M87-T103 HydrophobicContact CE-CG2 3.46Å; M87-T103 VanDerWaalsContact CE-CG2 3.46Å; Q88-T103 HydrophobicContact CG-CG2 4.4Å; Q88-T103 PolarHBondContact NE2-OG1 3.03Å; V98-T103 PolarHBondContact O-OG1 3.13Å; L99-T103 HydrophobicContact CD2-CG2 4.17Å; D100-T103 WeakPolarHBondContact O-CB 3.5Å; D100-T103 PolarHBondContact O-N 3.11Å; D100-T103 VanDerWaalsContact O-N 3.11Å; D100-T103 WeakPolarHBondContact OD1-CB 3.39Å; D100-T103 PolarHBondContact OD1-N 3.05Å; D100-T103 PolarHBondContact OD1-OG1 3.5Å; Q101-T103 PolarHBondContact O-N 3.33Å; T103-W106 PolarHBondContact O-N 3Å; T103-M107 HydrophobicContact CG2-CG 4.45Å; T103-M107 HydrophobicContact CG2-SD 3.95Å; T103-M107 WeakPolarHBondContact O-CG 3.38Å; T103-M107 PolarHBondContact O-N 3.08Å
104	I	91.3	Very high	89.7	Confident	33 Å²	33	52.2 Å²	52.2	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-41.6	176.9	-67.3	168.5	0	0	0	111	F52 L99 D100 Q101 T102 W106 M107 K108	F52-I104 HydrophobicContact CB-CG2 4.28Å; F52-I104 HydrophobicContact CD1-CG1 4.2Å; F52-I104 HydrophobicContact CD1-CG2 4.02Å; F52-I104 HydrophobicContact CG-CG2 4.12Å; L99-I104 HydrophobicContact CB-CG1 4.45Å; D100-I104 WeakPolarHBondContact O-CG1 3.24Å; D100-I104 PolarHBondContact O-N 3.3Å; Q101-I104 PolarHBondContact O-N 3.37Å; T102-I104 VanDerWaalsContact C-N 3.35Å; T102-I104 PolarHBondContact O-N 3.41Å; I104-W106 VanDerWaalsContact C-N 3.31Å; I104-W106 PolarHBondContact O-N 3.16Å; I104-M107 PolarHBondContact O-N 3.35Å; I104-K108 HydrophobicContact CG2-CD 4.18Å; I104-K108 HydrophobicContact CG2-CG 4.45Å; I104-K108 WeakPolarHBondContact O-CG 3.3Å; I104-K108 PolarHBondContact O-N 3.38Å
105	E	88.8	Confident	89.2	Confident	100 Å²	100	50 Å²	50	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-42.2	175.3	-75.9	167.4	-168.4	0	0	111.6	Q101 T102 K108 K109	Q101-E105 WeakPolarHBondContact CG-OE1 3.45Å; Q101-E105 PolarHBondContact NE2-OE1 2.85Å; Q101-E105 WeakPolarHBondContact O-CB 3.45Å; Q101-E105 VanDerWaalsContact O-CG 3.3Å; Q101-E105 WeakPolarHBondContact O-CG 3.41Å; Q101-E105 PolarHBondContact O-N 3.08Å; T102-E105 WeakPolarHBondContact O-CB 3.46Å; T102-E105 PolarHBondContact O-N 2.92Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K109 PolarHBondContact O-N 3.15Å
106	W	88.4	Confident	88.5	Confident	76 Å²	76	46.2 Å²	46.2	29%	0.288	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-44.9	172.1	-83.4	99	0	0	0	112.4	I93 T102 T103 I104 K108 K109 F276	I93-W106 HydrophobicContact CD1-CB 4.2Å; I93-W106 HydrophobicContact CD1-CG 4.1Å; I93-W106 HydrophobicContact CG2-CD2 3.82Å; I93-W106 VanDerWaalsContact CG2-CE2 3.47Å; I93-W106 HydrophobicContact CG2-CE3 4.48Å; I93-W106 HydrophobicContact CG2-CG 4.06Å; I93-W106 HydrophobicContact CG2-CZ2 3.87Å; T102-W106 PolarHBondContact O-N 2.85Å; T103-W106 PolarHBondContact O-N 3Å; I104-W106 VanDerWaalsContact C-N 3.31Å; I104-W106 PolarHBondContact O-N 3.16Å; W106-K108 PolarHBondContact O-N 2.83Å; W106-K109 HydrophobicContact CD2-CD 4.3Å; W106-K109 HydrophobicContact CE3-CD 3.7Å; W106-K109 VanDerWaalsContact CH2-NZ 3.26Å; W106-K109 HydrophobicContact CZ3-CD 3.98Å; W106-K109 WeakPolarHBondContact O-CB 3.36Å; W106-K109 PolarHBondContact O-N 3.45Å; W106-F276 AromaticContact CE3-CD2 3.93Å; W106-F276 HydrophobicContact CE3-CD2 3.93Å; W106-F276 AromaticContact CE3-CE2 3.71Å; W106-F276 HydrophobicContact CE3-CE2 3.71Å; W106-F276 HydrophobicContact CE3-CG 4.41Å; W106-F276 HydrophobicContact CE3-CZ 4.06Å; W106-F276 AromaticContact CZ3-CD2 3.92Å; W106-F276 HydrophobicContact CZ3-CD2 3.92Å; W106-F276 HydrophobicContact CZ3-CE2 4.14Å; W106-F276 HydrophobicContact CZ3-CG 4.41Å; W106-F276 WeakPolarHBondContact O-CE1 3.47Å
107	M	89.2	Confident	87.3	Confident	4 Å²	4	47 Å²	47	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-22.7	-179.9	-68.2	169.9	83.3	0	0	113.5	F52 W57 L58 M87 L99 T103 I104	F52-M107 HydrophobicContact CE1-CB 3.78Å; F52-M107 HydrophobicContact CE1-CE 3.55Å; F52-M107 HydrophobicContact CE1-CG 4.37Å; F52-M107 HydrophobicContact CE1-SD 3.68Å; F52-M107 HydrophobicContact CZ-CB 3.51Å; F52-M107 HydrophobicContact CZ-CE 3.93Å; F52-M107 HydrophobicContact CZ-CG 4.45Å; F52-M107 HydrophobicContact CZ-SD 4.29Å; W57-M107 HydrophobicContact CB-CE 3.75Å; W57-M107 HydrophobicContact CD2-CB 4.27Å; W57-M107 HydrophobicContact CD2-CE 3.33Å; W57-M107 HydrophobicContact CD2-CG 4.16Å; W57-M107 HydrophobicContact CE3-CE 3.27Å; W57-M107 HydrophobicContact CE3-CG 4.33Å; W57-M107 HydrophobicContact CG-CE 3.58Å; W57-M107 HydrophobicContact CH2-CG 4.1Å; W57-M107 HydrophobicContact CZ2-CB 4.02Å; W57-M107 HydrophobicContact CZ2-CG 3.89Å; W57-M107 HydrophobicContact CZ3-CE 3.99Å; W57-M107 HydrophobicContact CZ3-CG 4.34Å; W57-M107 PolarHBondContact NE1-O 2.73Å; L58-M107 HydrophobicContact CG-CE 4.26Å; M87-M107 HydrophobicContact CE-CE 4.3Å; M87-M107 HydrophobicContact CE-CG 3.52Å; M87-M107 HydrophobicContact CE-SD 3.62Å; L99-M107 HydrophobicContact CD2-CE 4.02Å; L99-M107 HydrophobicContact CD2-SD 3.49Å; L99-M107 WeakPolarHBondContact CD2-SD 3.2Å; T103-M107 HydrophobicContact CG2-CG 4.45Å; T103-M107 HydrophobicContact CG2-SD 3.95Å; T103-M107 WeakPolarHBondContact O-CG 3.38Å; T103-M107 PolarHBondContact O-N 3.08Å; I104-M107 PolarHBondContact O-N 3.35Å
108	K	88.3	Confident	85.7	Confident	116 Å²	116	48 Å²	48	50%	0.504	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.2	174.5	-74.1	179.1	175.8	-170.2	0	113.6	F52 I104 E105 W106	F52-K108 HydrophobicContact CD2-CG 4.14Å; F52-K108 HydrophobicContact CE2-CG 4.1Å; I104-K108 HydrophobicContact CG2-CD 4.18Å; I104-K108 HydrophobicContact CG2-CG 4.45Å; I104-K108 WeakPolarHBondContact O-CG 3.3Å; I104-K108 PolarHBondContact O-N 3.38Å; E105-K108 PolarHBondContact O-N 3.06Å; W106-K108 PolarHBondContact O-N 2.83Å
109	K	87.8	Confident	83.8	Confident	82 Å²	82	49.3 Å²	49.3	36%	0.357	25%	0.246	S	C	.	.	S	Bend	trans	-67.5	144.4	177.3	-71.3	-174	179.2	-179.5	0	110.7	E105 W106 F276	E105-K109 PolarHBondContact O-N 3.15Å; W106-K109 HydrophobicContact CD2-CD 4.3Å; W106-K109 HydrophobicContact CE3-CD 3.7Å; W106-K109 VanDerWaalsContact CH2-NZ 3.26Å; W106-K109 HydrophobicContact CZ3-CD 3.98Å; W106-K109 WeakPolarHBondContact O-CB 3.36Å; W106-K109 PolarHBondContact O-N 3.45Å; K109-F276 HydrophobicContact CB-CD1 3.76Å; K109-F276 HydrophobicContact CB-CE1 4.07Å
110	P	90.7	Very high	81.8	Confident	38 Å²	38	53.1 Å²	53.1	25%	0.247	27%	0.266	C	S	.	.			trans	-60.2	140.5	173.5	25.4	-33.5	0	0	0	110.9	G213 L215 Y277	P110-G213 WeakPolarHBondContact CA-O 3.35Å; P110-L215 HydrophobicContact CB-CD1 3.98Å; P110-L215 HydrophobicContact CB-CD2 3.6Å; P110-L215 HydrophobicContact CB-CG 3.84Å; P110-Y277 HydrophobicContact CG-CD1 4.22Å; P110-Y277 PolarHBondContact O-N 3.41Å
111	R	92	Very high	79.4	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-157.7	166.7	-175.2	60.7	174.1	-64.5	-177.3	14.5	112.9	Y61 Y91 D116 G213 L215 P275 F276	Y61-R111 VanDerWaalsContact CE1-CD 3.5Å; Y61-R111 HydrophobicContact CE1-CG 3.97Å; Y61-R111 VanDerWaalsContact CG-NH1 3.29Å; Y61-R111 VanDerWaalsContact OH-CD 3.28Å; Y61-R111 WeakPolarHBondContact OH-CD 3.48Å; Y61-R111 VanDerWaalsContact OH-CG 3.26Å; Y61-R111 WeakPolarHBondContact OH-CG 3.42Å; Y91-R111 VanDerWaalsContact OH-CZ 3.29Å; Y91-R111 PolarHBondContact OH-NH1 3.19Å; Y91-R111 PolarHBondContact OH-NH2 3.32Å; R111-D116 IonicContact CZ-OD2 3.44Å; R111-D116 IonicContact NH1-OD2 3.7Å; R111-D116 VanDerWaalsContact NH2-CG 3.25Å; R111-D116 IonicContact NH2-OD1 2.78Å; R111-D116 PolarHBondContact NH2-OD1 2.95Å; R111-D116 IonicContact NH2-OD2 2.68Å; R111-D116 PolarHBondContact NH2-OD2 2.83Å; R111-G213 PolarHBondContact N-O 3.18Å; R111-L215 PolarHBondContact O-N 3.37Å; R111-P275 VanDerWaalsContact CA-O 3.26Å; R111-P275 WeakPolarHBondContact CA-O 3.03Å; R111-P275 WeakPolarHBondContact CB-O 3.4Å; R111-F276 HydrophobicContact CB-CD1 3.92Å; R111-F276 HydrophobicContact CB-CE1 4.44Å
112	C	91.4	Very high	76.9	Confident	5 Å²	5	60.4 Å²	60.4	3%	0.034	30%	0.298	C	S	.	.			trans	-67.9	141.7	169.7	172.1	0	0	0	0	111.2	Y61 V114 H255 E256 H259 H265 P275	Y61-C112 WeakPolarHBondContact CE1-O 3.5Å; C112-V114 VanDerWaalsContact SG-CG2 3.59Å; C112-V114 PolarHBondContact SG-N 3.07Å; C112-H255 WeakPolarHBondContact CB-NE2 3.25Å; C112-E256 PolarHBondContact SG-OE1 3.47Å; C112-E256 VanDerWaalsContact SG-OE1 3.4Å; C112-H259 PolarHBondContact SG-NE2 2.6Å; C112-H265 WeakPolarHBondContact CB-NE2 3.26Å; C112-H265 PolarHBondContact SG-NE2 3.02Å; C112-H265 VanDerWaalsContact SG-NE2 3.41Å; C112-P275 PolarHBondContact N-O 3.28Å
113	G	85.7	Confident	74.4	Confident	9 Å²	9	68 Å²	68	9%	0.093	32%	0.319	C	S	.	.			trans	-81.4	-5.9	180	0	0	0	0	0	115.6	F214 A216	G113-F214 VanDerWaalsContact CA-CD1 3.47Å; G113-A216 PolarHBondContact N-O 3.16Å
114	V	83.5	Confident	71.7	Confident	9 Å²	9	79.8 Å²	79.8	6%	0.055	36%	0.363	C	S	.	.	S	Bend	trans	-68.1	133.3	176.4	178.4	0	0	0	0	110.2	C112 H217 F220 H265	C112-V114 VanDerWaalsContact SG-CG2 3.59Å; C112-V114 PolarHBondContact SG-N 3.07Å; V114-H217 HydrophobicContact CG2-CB 4.17Å; V114-F220 HydrophobicContact CG1-CE2 4.13Å; V114-F220 HydrophobicContact CG1-CZ 4.01Å; V114-H265 PolarHBondContact O-CE1 3.41Å
115	P	80.7	Confident	69	Low	47 Å²	47	88 Å²	88	31%	0.305	39%	0.392	S	S	.	.			trans	-63	143.4	178.1	-24.3	34	0	0	0	113.7	H117	P115-H117 VanDerWaalsContact C-N 3.32Å; P115-H117 PolarHBondContact O-CE1 2.93Å; P115-H117 PolarHBondContact O-N 3.01Å; P115-H117 PolarHBondContact O-ND1 3.01Å
116	D	78	Confident	66.5	Low	9 Å²	9	91.2 Å²	91.2	5%	0.048	41%	0.412	C	S	.	.			trans	-76.9	-12.3	-173.7	-67	-46.1	0	0	0	114.6	Y61 Y63 F90 Y91 R111 H265 P275	Y61-D116 PolarHBondContact O-N 3.11Å; Y61-D116 VanDerWaalsContact O-N 3.13Å; Y63-D116 HydrophobicContact CE2-CB 4.24Å; Y63-D116 WeakPolarHBondContact CE2-OD2 3.5Å; Y63-D116 PolarHBondContact OH-OD2 2.62Å; F90-D116 HydrophobicContact CD1-CB 4.25Å; F90-D116 HydrophobicContact CE1-CB 3.83Å; F90-D116 HydrophobicContact CZ-CB 4.25Å; Y91-D116 PolarHBondContact OH-OD2 2.93Å; R111-D116 IonicContact CZ-OD2 3.44Å; R111-D116 IonicContact NH1-OD2 3.7Å; R111-D116 VanDerWaalsContact NH2-CG 3.25Å; R111-D116 IonicContact NH2-OD1 2.78Å; R111-D116 PolarHBondContact NH2-OD1 2.95Å; R111-D116 IonicContact NH2-OD2 2.68Å; R111-D116 PolarHBondContact NH2-OD2 2.83Å; D116-H265 IonicContact OD1-CE1 3.25Å; D116-H265 PolarHBondContact OD1-CE1 3.09Å; D116-H265 IonicContact OD1-CG 3.71Å; D116-H265 IonicContact OD1-ND1 2.9Å; D116-H265 PolarHBondContact OD1-ND1 3.43Å; D116-P275 WeakPolarHBondContact OD1-CG 3.25Å
117	H	66.7	Low	64.2	Low	79 Å²	79	93.9 Å²	93.9	37%	0.366	43%	0.426	S	S	.	.			trans	42.1	50.9	-179.9	-60.8	95.3	0	0	0	116.3	P115 H119 L120	P115-H117 VanDerWaalsContact C-N 3.32Å; P115-H117 PolarHBondContact O-CE1 2.93Å; P115-H117 PolarHBondContact O-N 3.01Å; P115-H117 PolarHBondContact O-ND1 3.01Å; H117-H119 PolarHBondContact O-N 2.78Å; H117-L120 HydrophobicContact CB-CD1 3.9Å; H117-L120 HydrophobicContact CB-CG 4.34Å; H117-L120 PolarHBondContact O-N 2.95Å
118	P	55.6	Low	62.1	Low	30 Å²	30	101.8 Å²	101.8	20%	0.195	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-62.7	-24.4	-173.3	27.5	-37.4	0	0	0	113.9	Y63 T86	Y63-P118 HydrophobicContact CD1-CG 3.78Å; Y63-P118 HydrophobicContact CE1-CB 4.23Å; Y63-P118 HydrophobicContact CE1-CG 3.75Å; T86-P118 HydrophobicContact CG2-CB 3.48Å; T86-P118 VanDerWaalsContact CG2-CB 3.48Å; T86-P118 HydrophobicContact CG2-CG 3.75Å
119	H	49.6	Very low	60	Low	112 Å²	112	98.2 Å²	98.2	52%	0.519	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-86.5	-11.2	-173.4	-61.7	-58.1	0	0	0	115.1	H117 S121	H117-H119 PolarHBondContact O-N 2.78Å; H119-S121 PolarHBondContact O-N 3.27Å
120	L	47.8	Very low	58.2	Low	132 Å²	132	96.1 Å²	96.1	69%	0.691	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-73.6	-11.1	179.5	-70.2	177.3	0	0	0	113.1	H117 R122	H117-L120 HydrophobicContact CB-CD1 3.9Å; H117-L120 HydrophobicContact CB-CG 4.34Å; H117-L120 PolarHBondContact O-N 2.95Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 2.83Å
121	S	40.2	Very low	56.3	Low	83 Å²	83	97 Å²	97	58%	0.58	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-89.6	34.7	176.6	-146.5	0	0	0	0	114.4	H119 R123	H119-S121 PolarHBondContact O-N 3.27Å; S121-R123 PolarHBondContact O-N 3.29Å
122	R	38.4	Very low	54.4	Low	236 Å²	236	98.7 Å²	98.7	89%	0.891	45%	0.45	S	S	*	.			trans	-63.9	-6.5	172.5	-86.9	-174.7	74.4	149.4	0.3	114.3	L120	L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 2.83Å
123	R	36.4	Very low	53	Low	226 Å²	226	102 Å²	102	85%	0.853	48%	0.484	S	S	*	.	S	Bend	trans	-100.1	100.5	167.5	-80.5	-173.5	172.5	-175.3	-1.3	109.8	S121 R125	S121-R123 PolarHBondContact O-N 3.29Å; R123-R125 PolarHBondContact O-N 3.13Å
124	R	35.1	Very low	52.3	Low	249 Å²	249	106 Å²	106	94%	0.94	50%	0.501	S	S	*	.			trans	-49.5	67.9	174.2	-71.9	-176.2	162.1	-162.8	-3.6	115.2
125	R	34.2	Very low	52.3	Low	205 Å²	205	111.1 Å²	111.1	77%	0.774	52%	0.522	S	S	*	.			trans	-128.1	118.6	147.1	-84.8	-173	-178	174.4	1.2	105.7	R123 K127	R123-R125 PolarHBondContact O-N 3.13Å; R125-K127 PolarHBondContact O-N 3.05Å
126	N	37.2	Very low	52.7	Low	169 Å²	169	110 Å²	110	90%	0.904	51%	0.512	S	S	*	.			trans	-52.8	86.7	163.7	-67.9	-6	0	0	0	108
127	K	40.9	Very low	53.1	Low	131 Å²	131	121.3 Å²	121.3	57%	0.57	55%	0.554	S	S	*	*			trans	-82.6	120.2	160.6	-70.9	-177.4	-179.4	176.4	0	103.9	R125 Y129	R125-K127 PolarHBondContact O-N 3.05Å; K127-Y129 WeakPolarHBondContact CB-O 3.38Å; K127-Y129 PolarHBondContact O-N 3.38Å
128	R	43.8	Very low	54.2	Low	171 Å²	171	121.7 Å²	121.7	65%	0.645	56%	0.556	S	S	*	*	S	Bend	trans	-64.7	-28.5	-175.7	-59.3	-179.6	-162.5	175.9	3.9	111.8	N267 D290	R128-N267 PolarHBondContact O-OD1 3.03Å; R128-D290 VanDerWaalsContact CB-OD1 3.24Å; R128-D290 WeakPolarHBondContact CB-OD1 3.46Å
129	Y	45.5	Very low	55.9	Low	40 Å²	40	126.4 Å²	126.4	16%	0.157	57%	0.573	C	S	.	*	S	Bend	trans	-115.9	142.1	172.8	46.8	-96.2	0	0	0	110.6	K127 L131 Q293 K297	K127-Y129 WeakPolarHBondContact CB-O 3.38Å; K127-Y129 PolarHBondContact O-N 3.38Å; Y129-L131 HydrophobicContact CD2-CD1 4.4Å; Y129-L131 HydrophobicContact CD2-CD2 4.3Å; Y129-L131 HydrophobicContact CD2-CG 4.09Å; Y129-L131 HydrophobicContact CE2-CD1 4.25Å; Y129-L131 HydrophobicContact CE2-CG 4.43Å; Y129-Q293 HydrophobicContact CD1-CB 4.33Å; Y129-Q293 HydrophobicContact CE1-CB 4Å; Y129-K297 HydrophobicContact CE2-CB 4.48Å; Y129-K297 HydrophobicContact CE2-CD 3.39Å; Y129-K297 WeakPolarHBondContact OH-CD 3.23Å; Y129-K297 PolarHBondContact OH-NZ 3.46Å
130	A	48.4	Very low	58.1	Low	38 Å²	38	125 Å²	125	31%	0.314	57%	0.567	S	S	.	*			trans	-99.7	133.8	177.1	0	0	0	0	0	110.3	E264	A130-E264 HydrophobicContact CB-CB 3.87Å; A130-E264 HydrophobicContact CB-CG 4.38Å; A130-E264 WeakPolarHBondContact CB-OE2 3.28Å; A130-E264 WeakPolarHBondContact O-CB 3.36Å; A130-E264 PolarHBondContact O-N 3Å
131	L	50.8	Low	60.4	Low	56 Å²	56	118.7 Å²	118.7	29%	0.293	53%	0.534	S	S	.	.	B	Isolated β-bridge	trans	-117.9	118.5	-172.9	-66.8	177.1	0	0	0	107.4	Y129 G133 K297 I298	Y129-L131 HydrophobicContact CD2-CD1 4.4Å; Y129-L131 HydrophobicContact CD2-CD2 4.3Å; Y129-L131 HydrophobicContact CD2-CG 4.09Å; Y129-L131 HydrophobicContact CE2-CD1 4.25Å; Y129-L131 HydrophobicContact CE2-CG 4.43Å; L131-G133 PolarHBondContact O-N 3.42Å; L131-G133 VanDerWaalsContact O-N 3.16Å; L131-K297 HydrophobicContact CD1-CD 4.05Å; L131-K297 HydrophobicContact CD1-CG 4.12Å; L131-I298 HydrophobicContact CD2-CD1 3.5Å; L131-I298 HydrophobicContact CD2-CG1 3.36Å
132	T	53.6	Low	63	Low	37 Å²	37	116 Å²	116	23%	0.227	51%	0.514	C	S	.	.			trans	-58.4	-27.7	175.6	55.5	0	0	0	0	113	Q134 F220 G262 E264	T132-Q134 WeakPolarHBondContact OG1-CB 3.45Å; T132-Q134 PolarHBondContact OG1-N 2.82Å; T132-Q134 PolarHBondContact OG1-O 2.76Å; T132-F220 HydrophobicContact CG2-CB 4.5Å; T132-F220 HydrophobicContact CG2-CD1 3.32Å; T132-F220 HydrophobicContact CG2-CD2 3.88Å; T132-F220 HydrophobicContact CG2-CE1 3.23Å; T132-F220 HydrophobicContact CG2-CE2 3.81Å; T132-F220 HydrophobicContact CG2-CG 3.64Å; T132-F220 HydrophobicContact CG2-CZ 3.49Å; T132-F220 VanDerWaalsContact CG2-CZ 3.49Å; T132-G262 PolarHBondContact OG1-O 3.31Å; T132-E264 WeakPolarHBondContact CA-OE1 3.32Å; T132-E264 HydrophobicContact CG2-CG 3.48Å; T132-E264 VanDerWaalsContact CG2-CG 3.48Å; T132-E264 VanDerWaalsContact CG2-OE1 3.28Å; T132-E264 WeakPolarHBondContact CG2-OE1 3.17Å; T132-E264 PolarHBondContact N-OE1 2.77Å
133	G	60.4	Low	65.8	Low	73 Å²	73	104.9 Å²	104.9	75%	0.753	47%	0.472	S	S	*	.	S	Bend	trans	82	-5.3	-165.7	0	0	0	0	0	113.3	L131	L131-G133 PolarHBondContact O-N 3.42Å; L131-G133 VanDerWaalsContact O-N 3.16Å
134	Q	70.9	Confident	68.5	Low	93 Å²	93	94.1 Å²	94.1	44%	0.435	43%	0.431	S	S	.	.			trans	-87.8	125.7	172.2	-62.2	-178.8	-95.7	0	0	109.3	T132 F220 P221	T132-Q134 WeakPolarHBondContact OG1-CB 3.45Å; T132-Q134 PolarHBondContact OG1-N 2.82Å; T132-Q134 PolarHBondContact OG1-O 2.76Å; Q134-F220 HydrophobicContact CB-CB 4.41Å; Q134-P221 HydrophobicContact CB-CB 4.45Å; Q134-P221 PolarHBondContact NE2-O 2.83Å
135	K	83.5	Confident	71.3	Confident	117 Å²	117	82.6 Å²	82.6	51%	0.509	39%	0.388	S	S	.	.			trans	-146.3	154.8	176.5	72.1	173.4	-172.2	172.8	0	111.1	R137 I298 Y299	K135-R137 PolarHBondContact O-N 3.03Å; K135-I298 HydrophobicContact CB-CG2 3.53Å; K135-I298 HydrophobicContact CD-CG2 3.8Å; K135-I298 HydrophobicContact CG-CG2 4.34Å; K135-I298 PolarHBondContact NZ-O 3.31Å; K135-Y299 HydrophobicContact CB-CE1 4.1Å
136	W	89.1	Confident	73.9	Confident	24 Å²	24	76.7 Å²	76.7	9%	0.091	37%	0.369	C	S	.	.			trans	-64.1	132.6	169.7	-63.4	105.1	0	0	0	110.2	I141 D192 I193 P221 G226 A260 Y299	W136-I141 HydrophobicContact CB-CD1 3.84Å; W136-I141 HydrophobicContact CB-CG1 4.33Å; W136-I141 VanDerWaalsContact CD1-CD1 3.48Å; W136-I141 HydrophobicContact CD2-CD1 4.26Å; W136-I141 HydrophobicContact CD2-CG1 4.49Å; W136-I141 HydrophobicContact CG-CD1 3.57Å; W136-I141 HydrophobicContact CG-CG1 4.16Å; W136-D192 HydrophobicContact CH2-CB 4.06Å; W136-D192 WeakPolarHBondContact CH2-O 3.24Å; W136-D192 HydrophobicContact CZ3-CB 4.09Å; W136-I193 HydrophobicContact CZ2-CD1 4.39Å; W136-I193 HydrophobicContact CZ2-CG1 3.96Å; W136-P221 HydrophobicContact CD2-CB 4.03Å; W136-P221 HydrophobicContact CG-CB 4.19Å; W136-P221 HydrophobicContact CG-CG 4.5Å; W136-P221 HydrophobicContact CZ2-CB 4.26Å; W136-G226 WeakPolarHBondContact CH2-O 3.5Å; W136-A260 PolarHBondContact NE1-O 3.08Å; W136-Y299 HydrophobicContact CB-CE1 4.29Å; W136-Y299 PolarHBondContact N-OH 3.25Å; W136-Y299 VanDerWaalsContact N-OH 3.14Å
137	R	88.1	Confident	76.5	Confident	246 Å²	246	71.1 Å²	71.1	93%	0.928	34%	0.34	S	S	*	.	S	Bend	trans	-81.8	-36.1	175.1	-66	-175.4	178.9	-167	0.4	111.4	K135	K135-R137 PolarHBondContact O-N 3.03Å
138	Q	89	Confident	79	Confident	87 Å²	87	69.6 Å²	69.6	41%	0.407	33%	0.331	S	S	.	.	S	Bend	trans	-79.5	148.7	172.8	63.4	-159.6	61.2	0	0	110.5	H140 I141 D192	Q138-H140 VanDerWaalsContact CG-O 3.32Å; Q138-H140 WeakPolarHBondContact CG-O 3.4Å; Q138-H140 PolarHBondContact NE2-O 2.98Å; Q138-I141 HydrophobicContact CG-CG1 4.41Å; Q138-D192 PolarHBondContact NE2-OD1 3.13Å; Q138-D192 PolarHBondContact NE2-OD2 3.24Å
139	K	92.4	Very high	81.3	Confident	129 Å²	129	61.5 Å²	61.5	56%	0.561	30%	0.3	S	S	*	.	S	Bend	trans	-88.3	-27.4	173.7	-67.6	-175.2	176	-175.4	0	112.7	P173 L174 T175	K139-P173 HydrophobicContact CD-CB 4.43Å; K139-L174 HydrophobicContact CB-CD2 4.33Å; K139-L174 HydrophobicContact CG-CD2 4.48Å; K139-L174 CarbonylContact O-C 3.56Å; K139-L174 VanDerWaalsContact O-CA 3.27Å; K139-L174 WeakPolarHBondContact O-CA 3.47Å; K139-T175 PolarHBondContact O-N 2.83Å
140	H	95.7	Very high	83.4	Confident	83 Å²	83	64.8 Å²	64.8	38%	0.384	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.2	176.8	-176.4	-90.6	0	0	0	109.2	Q138 T175 E177	Q138-H140 VanDerWaalsContact CG-O 3.32Å; Q138-H140 WeakPolarHBondContact CG-O 3.4Å; Q138-H140 PolarHBondContact NE2-O 2.98Å; H140-T175 WeakPolarHBondContact CA-OG1 3.43Å; H140-T175 PolarHBondContact CD2-OG1 2.83Å; H140-E177 IonicContact CE1-OE2 2.81Å; H140-E177 PolarHBondContact CE1-OE2 3.31Å; H140-E177 IonicContact NE2-OE2 3.16Å; H140-E177 PolarHBondContact NE2-OE2 3.14Å
141	I	95.3	Very high	85.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.4	-174.9	-60.1	166.7	0	0	0	107.8	W136 Q138 L174 T175 F176 E177 D192 I193 L261	W136-I141 HydrophobicContact CB-CD1 3.84Å; W136-I141 HydrophobicContact CB-CG1 4.33Å; W136-I141 VanDerWaalsContact CD1-CD1 3.48Å; W136-I141 HydrophobicContact CD2-CD1 4.26Å; W136-I141 HydrophobicContact CD2-CG1 4.49Å; W136-I141 HydrophobicContact CG-CD1 3.57Å; W136-I141 HydrophobicContact CG-CG1 4.16Å; Q138-I141 HydrophobicContact CG-CG1 4.41Å; I141-L174 HydrophobicContact CD1-CD1 3.99Å; I141-L174 HydrophobicContact CD1-CD2 4.23Å; I141-T175 PolarHBondContact N-O 2.82Å; I141-F176 HydrophobicContact CB-CD1 3.89Å; I141-F176 HydrophobicContact CB-CE1 4.02Å; I141-F176 HydrophobicContact CD1-CE1 3.84Å; I141-F176 HydrophobicContact CG1-CE1 4.5Å; I141-F176 HydrophobicContact CG2-CD1 4.23Å; I141-F176 HydrophobicContact CG2-CE1 4.3Å; I141-F176 VanDerWaalsContact O-CA 3.3Å; I141-F176 WeakPolarHBondContact O-CA 3.03Å; I141-E177 PolarHBondContact O-N 2.94Å; I141-D192 HydrophobicContact CG2-CB 3.9Å; I141-I193 HydrophobicContact CG2-CD1 3.74Å; I141-I193 HydrophobicContact CG2-CG1 4.16Å; I141-L261 HydrophobicContact CD1-CD2 4.03Å
142	T	94.9	Very high	87.4	Confident	26 Å²	26	66.6 Å²	66.6	16%	0.16	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	142.1	176.2	58.5	0	0	0	0	110.2	E177 V179 D192 I193	T142-E177 CarbonylContact C-O 3.47Å; T142-E177 VanDerWaalsContact CA-O 3.31Å; T142-E177 WeakPolarHBondContact CA-O 3.47Å; T142-E177 HydrophobicContact CG2-CB 4.45Å; T142-V179 HydrophobicContact CG2-CG2 4.16Å; T142-D192 PolarHBondContact N-OD2 2.87Å; T142-D192 WeakPolarHBondContact O-CA 3.2Å; T142-D192 WeakPolarHBondContact O-CB 3.12Å; T142-D192 PolarHBondContact O-N 2.91Å; T142-D192 PolarHBondContact OG1-N 2.86Å; T142-D192 VanDerWaalsContact OG1-N 3.08Å; T142-D192 PolarHBondContact OG1-OD2 3.36Å; T142-I193 PolarHBondContact O-N 2.95Å
143	Y	96	Very high	89.2	Confident	3 Å²	3	65.9 Å²	65.9	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.2	173.3	72.7	-86.2	0	0	0	111.3	I145 I161 F165 F176 E177 E178 V179 I193 I195	Y143-I145 HydrophobicContact CD2-CG1 4.38Å; Y143-I145 HydrophobicContact CE2-CD1 4.22Å; Y143-I145 HydrophobicContact CE2-CG1 4.3Å; Y143-I161 HydrophobicContact CE2-CG2 4.22Å; Y143-F165 HydrophobicContact CD1-CD1 4.48Å; Y143-F165 AromaticContact CD1-CD2 3.94Å; Y143-F165 HydrophobicContact CD1-CD2 3.94Å; Y143-F165 HydrophobicContact CD1-CE1 4.16Å; Y143-F165 AromaticContact CD1-CE2 3.58Å; Y143-F165 HydrophobicContact CD1-CE2 3.58Å; Y143-F165 HydrophobicContact CD1-CG 4.37Å; Y143-F165 AromaticContact CD1-CZ 3.7Å; Y143-F165 HydrophobicContact CD1-CZ 3.7Å; Y143-F165 HydrophobicContact CD2-CD2 4.15Å; Y143-F165 AromaticContact CD2-CE2 3.39Å; Y143-F165 HydrophobicContact CD2-CE2 3.39Å; Y143-F165 AromaticContact CD2-CZ 3.95Å; Y143-F165 HydrophobicContact CD2-CZ 3.95Å; Y143-F165 AromaticContact CE1-CD2 3.64Å; Y143-F165 HydrophobicContact CE1-CD2 3.64Å; Y143-F165 AromaticContact CE1-CE2 3.75Å; Y143-F165 HydrophobicContact CE1-CE2 3.75Å; Y143-F165 HydrophobicContact CE1-CG 4.11Å; Y143-F165 HydrophobicContact CE1-CZ 4.28Å; Y143-F165 AromaticContact CE2-CD2 3.88Å; Y143-F165 HydrophobicContact CE2-CD2 3.88Å; Y143-F165 AromaticContact CE2-CE2 3.57Å; Y143-F165 HydrophobicContact CE2-CE2 3.57Å; Y143-F165 HydrophobicContact CG-CD2 4.16Å; Y143-F165 HydrophobicContact CG-CE1 4.35Å; Y143-F165 AromaticContact CG-CE2 3.38Å; Y143-F165 HydrophobicContact CG-CE2 3.38Å; Y143-F165 AromaticContact CG-CZ 3.48Å; Y143-F165 HydrophobicContact CG-CZ 3.48Å; Y143-F165 VanDerWaalsContact CG-CZ 3.48Å; Y143-F165 AromaticContact CZ-CD2 3.59Å; Y143-F165 AromaticContact CZ-CE2 3.72Å; Y143-F176 HydrophobicContact CD1-CB 4.27Å; Y143-F176 HydrophobicContact CE1-CB 4.16Å; Y143-E177 WeakPolarHBondContact CD1-O 3.5Å; Y143-E177 PolarHBondContact N-O 2.88Å; Y143-E178 HydrophobicContact CD2-CG 4.35Å; Y143-E178 HydrophobicContact CE1-CB 3.9Å; Y143-E178 HydrophobicContact CE2-CB 3.89Å; Y143-E178 HydrophobicContact CE2-CG 3.7Å; Y143-E178 WeakPolarHBondContact O-CA 3Å; Y143-V179 PolarHBondContact O-N 2.89Å; Y143-I193 CarbonylContact C-O 3.59Å; Y143-I193 WeakPolarHBondContact CA-O 3.41Å; Y143-I195 HydrophobicContact CD2-CD1 4.14Å
144	S	93.7	Very high	90.8	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	135.5	175.3	-165.3	0	0	0	0	112.5	V179 Y181 I184 I193 I195	S144-V179 VanDerWaalsContact CB-O 3.25Å; S144-V179 WeakPolarHBondContact CB-O 3.39Å; S144-V179 PolarHBondContact OG-O 2.9Å; S144-Y181 WeakPolarHBondContact OG-CA 3.39Å; S144-Y181 PolarHBondContact OG-N 2.89Å; S144-I184 VanDerWaalsContact OG-CD1 3.3Å; S144-I184 WeakPolarHBondContact OG-CD1 3.35Å; S144-I193 PolarHBondContact N-O 3.08Å; S144-I195 PolarHBondContact O-N 2.84Å
145	I	94.6	Very high	92	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.3	179	-59.3	167.2	0	0	0	108.4	Y143 N147 R158 I161 Y181 I195	Y143-I145 HydrophobicContact CD2-CG1 4.38Å; Y143-I145 HydrophobicContact CE2-CD1 4.22Å; Y143-I145 HydrophobicContact CE2-CG1 4.3Å; I145-N147 WeakPolarHBondContact CG2-O 3.2Å; I145-R158 HydrophobicContact CD1-CB 4.4Å; I145-R158 HydrophobicContact CD1-CG 3.89Å; I145-I161 HydrophobicContact CD1-CB 4.04Å; I145-I161 HydrophobicContact CD1-CG1 4.35Å; I145-I161 HydrophobicContact CD1-CG2 3.92Å; I145-I161 HydrophobicContact CG1-CG2 4.3Å; I145-Y181 WeakPolarHBondContact O-CB 3.19Å; I145-I195 HydrophobicContact CG1-CB 4.35Å
146	H	88.8	Confident	92.6	Very high	81 Å²	81	66 Å²	66	38%	0.375	32%	0.316	S	S	.	.			trans	-64.8	-48.2	-178.7	-178.5	95	0	0	0	112.6	Y181 I195 F196	H146-Y181 HydrophobicContact CB-CD2 4.33Å; H146-Y181 HydrophobicContact CB-CE2 4.34Å; H146-Y181 AromaticContact CE1-CE1 3.93Å; H146-Y181 AromaticContact CE1-CE2 3.95Å; H146-Y181 AromaticContact CE1-CZ 3.36Å; H146-Y181 PolarHBondContact CE1-OH 3.01Å; H146-Y181 AromaticContact CG-CZ 3.97Å; H146-Y181 AromaticContact ND1-CE1 3.77Å; H146-Y181 AromaticContact ND1-CE2 3.2Å; H146-Y181 WeakPolarHBondContact ND1-CE2 3.3Å; H146-Y181 AromaticContact ND1-CZ 3.08Å; H146-Y181 PolarHBondContact ND1-OH 3.42Å; H146-Y181 VanDerWaalsContact ND1-OH 3.16Å; H146-I195 WeakPolarHBondContact CB-O 3.43Å; H146-I195 PolarHBondContact N-O 2.91Å; H146-F196 HydrophobicContact CB-CB 3.55Å
147	N	91.2	Very high	92.9	Very high	52 Å²	52	64.9 Å²	64.9	28%	0.278	31%	0.312	S	S	.	.			trans	-149.5	177.3	179.8	64.6	-15.6	0	0	0	109.7	I145 F196 F197	I145-N147 WeakPolarHBondContact CG2-O 3.2Å; N147-F196 VanDerWaalsContact OD1-CA 3.31Å; N147-F196 WeakPolarHBondContact OD1-CA 3.48Å; N147-F196 WeakPolarHBondContact OD1-CB 3.35Å; N147-F197 PolarHBondContact ND2-O 3.48Å; N147-F197 WeakPolarHBondContact O-CD2 3.19Å; N147-F197 PolarHBondContact OD1-N 3.24Å
148	Y	93.3	Very high	93.3	Very high	98 Å²	98	57.2 Å²	57.2	38%	0.384	28%	0.283	S	S	.	.			trans	-133.1	159.2	-176	48.2	-96.5	0	0	0	110.6	P150 E154	Y148-P150 WeakPolarHBondContact O-CD 3.48Å; Y148-E154 HydrophobicContact CD1-CB 3.67Å; Y148-E154 HydrophobicContact CD1-CG 3.49Å; Y148-E154 VanDerWaalsContact CD1-CG 3.49Å; Y148-E154 HydrophobicContact CD2-CB 3.93Å; Y148-E154 HydrophobicContact CE1-CB 3.65Å; Y148-E154 VanDerWaalsContact CE1-CD 3.43Å; Y148-E154 HydrophobicContact CE1-CG 3.55Å; Y148-E154 WeakPolarHBondContact CE1-OE2 3.42Å; Y148-E154 HydrophobicContact CE2-CB 3.94Å; Y148-E154 HydrophobicContact CG-CB 3.78Å; Y148-E154 HydrophobicContact CG-CG 4.06Å; Y148-E154 PolarHBondContact OH-OE2 2.82Å
149	T	91.7	Very high	93.6	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	29%	0.289	C	S	.	.			trans	-77.5	122.5	172.9	173.6	0	0	0	0	110.4	K151 V152 G153 T157 F197 W237 L249	T149-K151 PolarHBondContact O-N 3.28Å; T149-K151 PolarHBondContact OG1-N 2.91Å; T149-V152 HydrophobicContact CG2-CB 3.93Å; T149-V152 HydrophobicContact CG2-CG2 4.04Å; T149-V152 PolarHBondContact O-N 2.93Å; T149-G153 PolarHBondContact O-N 3.22Å; T149-T157 WeakPolarHBondContact CG2-OG1 3.14Å; T149-F197 HydrophobicContact CG2-CD1 4.39Å; T149-F197 HydrophobicContact CG2-CE1 3.81Å; T149-F197 HydrophobicContact CG2-CZ 4.12Å; T149-W237 HydrophobicContact CG2-CB 4.1Å; T149-W237 HydrophobicContact CG2-CG 4.18Å; T149-L249 HydrophobicContact CG2-CD2 4.11Å
150	P	90.6	Very high	93.8	Very high	110 Å²	110	52.7 Å²	52.7	71%	0.714	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.4	175.8	-22.9	34.4	0	0	0	113.6	Y148 V152	Y148-P150 WeakPolarHBondContact O-CD 3.48Å; P150-V152 VanDerWaalsContact C-N 3.32Å; P150-V152 PolarHBondContact O-N 2.94Å
151	K	90.6	Very high	94	Very high	107 Å²	107	48.8 Å²	48.8	47%	0.465	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-34	-178.6	-65.5	164.6	174.2	160.7	0	112.3	T149 S233 D234 E235 W237	T149-K151 PolarHBondContact O-N 3.28Å; T149-K151 PolarHBondContact OG1-N 2.91Å; K151-S233 PolarHBondContact NZ-O 3.04Å; K151-D234 PolarHBondContact NZ-O 2.96Å; K151-E235 VanDerWaalsContact CD-O 3.25Å; K151-E235 WeakPolarHBondContact CD-O 3.41Å; K151-E235 WeakPolarHBondContact CE-O 3.33Å; K151-E235 PolarHBondContact NZ-O 2.97Å; K151-W237 HydrophobicContact CB-CB 4.46Å
152	V	91.6	Very high	94	Very high	24 Å²	24	54.8 Å²	54.8	15%	0.145	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-31.5	176.8	176.2	0	0	0	0	111.3	T149 P150 D156 W237 L239	T149-V152 HydrophobicContact CG2-CB 3.93Å; T149-V152 HydrophobicContact CG2-CG2 4.04Å; T149-V152 PolarHBondContact O-N 2.93Å; P150-V152 VanDerWaalsContact C-N 3.32Å; P150-V152 PolarHBondContact O-N 2.94Å; V152-D156 HydrophobicContact CG1-CB 3.54Å; V152-W237 HydrophobicContact CG2-CB 3.88Å; V152-L239 HydrophobicContact CG1-CD1 3.38Å; V152-L239 HydrophobicContact CG1-CG 3.69Å; V152-L239 HydrophobicContact CG2-CG 4.45Å
153	G	92.7	Very high	94.1	Very high	22 Å²	22	57.8 Å²	57.8	23%	0.227	28%	0.279	C	S	.	.			trans	94.5	158.3	-177.8	0	0	0	0	0	113	T149 T157	T149-G153 PolarHBondContact O-N 3.22Å; G153-T157 WeakPolarHBondContact O-CB 3.4Å; G153-T157 PolarHBondContact O-N 3.33Å; G153-T157 PolarHBondContact O-OG1 2.74Å
154	E	94.1	Very high	94.2	Very high	69 Å²	69	57.7 Å²	57.7	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-50.3	-171.4	-178.7	174.8	166.3	0	0	113.3	Y148 T157 R158	Y148-E154 HydrophobicContact CD1-CB 3.67Å; Y148-E154 HydrophobicContact CD1-CG 3.49Å; Y148-E154 VanDerWaalsContact CD1-CG 3.49Å; Y148-E154 HydrophobicContact CD2-CB 3.93Å; Y148-E154 HydrophobicContact CE1-CB 3.65Å; Y148-E154 VanDerWaalsContact CE1-CD 3.43Å; Y148-E154 HydrophobicContact CE1-CG 3.55Å; Y148-E154 WeakPolarHBondContact CE1-OE2 3.42Å; Y148-E154 HydrophobicContact CE2-CB 3.94Å; Y148-E154 HydrophobicContact CG-CB 3.78Å; Y148-E154 HydrophobicContact CG-CG 4.06Å; Y148-E154 PolarHBondContact OH-OE2 2.82Å; E154-T157 PolarHBondContact O-N 2.94Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 WeakPolarHBondContact O-CG 3.49Å; E154-R158 PolarHBondContact O-N 3.21Å; E154-R158 IonicContact OE1-CZ 3.17Å; E154-R158 IonicContact OE1-NH1 3.12Å; E154-R158 PolarHBondContact OE1-NH1 3.32Å; E154-R158 IonicContact OE1-NH2 2.71Å; E154-R158 PolarHBondContact OE1-NH2 2.66Å
155	L	95.3	Very high	94.4	Very high	139 Å²	139	57.8 Å²	57.8	73%	0.728	28%	0.279	S	S	*	.	H	α-helix	trans	-64.3	-45.2	-174.8	-68.6	175.9	0	0	0	111.7	R158 K159	L155-R158 PolarHBondContact O-N 3.09Å; L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 2.82Å
156	D	95.4	Very high	94.5	Very high	79 Å²	79	60.2 Å²	60.2	42%	0.422	29%	0.292	S	S	.	.	H	α-helix	trans	-73.4	-36.5	-178.3	-74	-38.1	0	0	0	111.8	V152 K159 A160 L239	V152-D156 HydrophobicContact CG1-CB 3.54Å; D156-K159 PolarHBondContact O-N 2.92Å; D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.8Å; D156-L239 HydrophobicContact CB-CD1 3.7Å
157	T	96.2	Very high	94.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-52.9	169.9	-62.9	0	0	0	0	110.6	T149 G153 E154 K159 A160 I161 F197 L249	T149-T157 WeakPolarHBondContact CG2-OG1 3.14Å; G153-T157 WeakPolarHBondContact O-CB 3.4Å; G153-T157 PolarHBondContact O-N 3.33Å; G153-T157 PolarHBondContact O-OG1 2.74Å; E154-T157 PolarHBondContact O-N 2.94Å; T157-K159 VanDerWaalsContact C-N 3.32Å; T157-K159 PolarHBondContact O-N 3.44Å; T157-A160 PolarHBondContact O-N 2.03Å; T157-I161 WeakPolarHBondContact O-CG1 3.36Å; T157-I161 PolarHBondContact O-N 3.03Å; T157-F197 HydrophobicContact CG2-CE2 3.79Å; T157-F197 HydrophobicContact CG2-CZ 3.78Å; T157-L249 HydrophobicContact CG2-CD2 4Å
158	R	96.5	Very high	95.2	Very high	84 Å²	84	54.7 Å²	54.7	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-59.2	-43.1	178.8	-78.3	-172.3	163.7	142.3	10.1	112.3	I145 E154 L155 I161 R162 E178	I145-R158 HydrophobicContact CD1-CB 4.4Å; I145-R158 HydrophobicContact CD1-CG 3.89Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 WeakPolarHBondContact O-CG 3.49Å; E154-R158 PolarHBondContact O-N 3.21Å; E154-R158 IonicContact OE1-CZ 3.17Å; E154-R158 IonicContact OE1-NH1 3.12Å; E154-R158 PolarHBondContact OE1-NH1 3.32Å; E154-R158 IonicContact OE1-NH2 2.71Å; E154-R158 PolarHBondContact OE1-NH2 2.66Å; L155-R158 PolarHBondContact O-N 3.09Å; R158-I161 PolarHBondContact O-N 3.44Å; R158-R162 VanDerWaalsContact O-CB 3.3Å; R158-R162 WeakPolarHBondContact O-CB 3.48Å; R158-R162 PolarHBondContact O-N 2.94Å; R158-E178 IonicContact NE-OE1 3.35Å
159	K	96.1	Very high	95.4	Very high	122 Å²	122	52.9 Å²	52.9	53%	0.53	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-46.8	178.4	-175.2	-177.8	174.2	-171.6	0	111.4	L155 D156 T157 R162 Q163	L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 2.82Å; D156-K159 PolarHBondContact O-N 2.92Å; T157-K159 VanDerWaalsContact C-N 3.32Å; T157-K159 PolarHBondContact O-N 3.44Å; K159-R162 PolarHBondContact O-N 2.92Å; K159-Q163 WeakPolarHBondContact O-CB 3.24Å; K159-Q163 VanDerWaalsContact O-CG 3.27Å; K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 3.24Å
160	A	96.5	Very high	95.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-46.6	179.1	0	0	0	0	0	112.2	D156 T157 R162 Q163 A164 L239 L249 F250	D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.8Å; T157-A160 PolarHBondContact O-N 2.03Å; A160-R162 PolarHBondContact O-N 2.89Å; A160-Q163 PolarHBondContact O-N 2.89Å; A160-A164 PolarHBondContact O-N 2.83Å; A160-L239 HydrophobicContact CB-CD1 4.47Å; A160-L239 HydrophobicContact CB-CD2 3.62Å; A160-L249 HydrophobicContact CB-CD2 4.32Å; A160-L249 HydrophobicContact CB-CG 4.42Å; A160-F250 HydrophobicContact CB-CB 4.13Å
161	I	98	Very high	95.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-44.8	176	-63.5	-56	0	0	0	111.1	Y143 I145 T157 R158 Q163 A164 F165 I195 F231 A253	Y143-I161 HydrophobicContact CE2-CG2 4.22Å; I145-I161 HydrophobicContact CD1-CB 4.04Å; I145-I161 HydrophobicContact CD1-CG1 4.35Å; I145-I161 HydrophobicContact CD1-CG2 3.92Å; I145-I161 HydrophobicContact CG1-CG2 4.3Å; T157-I161 WeakPolarHBondContact O-CG1 3.36Å; T157-I161 PolarHBondContact O-N 3.03Å; R158-I161 PolarHBondContact O-N 3.44Å; I161-Q163 PolarHBondContact O-N 3.34Å; I161-A164 WeakPolarHBondContact O-CB 3.34Å; I161-A164 PolarHBondContact O-N 2.8Å; I161-A164 VanDerWaalsContact O-N 3.14Å; I161-F165 HydrophobicContact CG2-CD2 4.02Å; I161-F165 HydrophobicContact CG2-CE2 3.8Å; I161-F165 WeakPolarHBondContact O-CD2 3.19Å; I161-F165 PolarHBondContact O-N 2.85Å; I161-F165 VanDerWaalsContact O-N 3.08Å; I161-I195 HydrophobicContact CG2-CD1 3.53Å; I161-F231 HydrophobicContact CD1-CE2 4.04Å; I161-F231 HydrophobicContact CD1-CZ 3.86Å; I161-A253 HydrophobicContact CD1-CB 3.55Å
162	R	97.3	Very high	96.1	Very high	125 Å²	125	51.2 Å²	51.2	47%	0.472	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-41.5	178.3	-167.9	175.4	-169.4	105.3	2.5	112.3	R158 K159 A160 A164 F165 D166 E178	R158-R162 VanDerWaalsContact O-CB 3.3Å; R158-R162 WeakPolarHBondContact O-CB 3.48Å; R158-R162 PolarHBondContact O-N 2.94Å; K159-R162 PolarHBondContact O-N 2.92Å; A160-R162 PolarHBondContact O-N 2.89Å; R162-A164 VanDerWaalsContact C-N 3.28Å; R162-A164 PolarHBondContact O-N 2.84Å; R162-F165 PolarHBondContact O-N 3.06Å; R162-D166 PolarHBondContact O-N 2.87Å; R162-E178 IonicContact NH1-OE2 3.72Å; R162-E178 PolarHBondContact NH1-OE2 2.77Å
163	Q	96.4	Very high	96.3	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-37.4	173.8	-73.8	177.4	-64.5	0	0	111.7	K159 A160 I161 D166 V167 F250	K159-Q163 WeakPolarHBondContact O-CB 3.24Å; K159-Q163 VanDerWaalsContact O-CG 3.27Å; K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 3.24Å; A160-Q163 PolarHBondContact O-N 2.89Å; I161-Q163 PolarHBondContact O-N 3.34Å; Q163-D166 WeakPolarHBondContact O-CB 3.19Å; Q163-D166 PolarHBondContact O-N 3.02Å; Q163-V167 WeakPolarHBondContact O-CG2 3.28Å; Q163-V167 PolarHBondContact O-N 2.87Å; Q163-V167 VanDerWaalsContact O-N 3.09Å; Q163-F250 HydrophobicContact CB-CD2 3.8Å; Q163-F250 HydrophobicContact CB-CE2 3.74Å
164	A	98	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-41.2	176.6	0	0	0	0	0	111.9	A160 I161 R162 D166 V167 F250 A253 V254 L257	A160-A164 PolarHBondContact O-N 2.83Å; I161-A164 WeakPolarHBondContact O-CB 3.34Å; I161-A164 PolarHBondContact O-N 2.8Å; I161-A164 VanDerWaalsContact O-N 3.14Å; R162-A164 VanDerWaalsContact C-N 3.28Å; R162-A164 PolarHBondContact O-N 2.84Å; A164-D166 VanDerWaalsContact C-N 3.35Å; A164-D166 PolarHBondContact O-N 3.31Å; A164-V167 WeakPolarHBondContact O-CB 3.42Å; A164-V167 PolarHBondContact O-N 3.02Å; A164-F250 HydrophobicContact CB-CD2 4.25Å; A164-F250 HydrophobicContact CB-CE2 4.42Å; A164-A253 HydrophobicContact CB-CB 3.74Å; A164-V254 HydrophobicContact CB-CB 4.48Å; A164-V254 HydrophobicContact CB-CG2 3.65Å; A164-L257 HydrophobicContact CB-CD1 3.76Å
165	F	98.1	Very high	96.6	Very high	2 Å²	2	50 Å²	50	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-41.3	169.8	-80.5	-70.3	0	0	0	112.6	Y143 I161 R162 V167 W168 Q169 F176 I193 I195 L257	Y143-F165 HydrophobicContact CD1-CD1 4.48Å; Y143-F165 AromaticContact CD1-CD2 3.94Å; Y143-F165 HydrophobicContact CD1-CD2 3.94Å; Y143-F165 HydrophobicContact CD1-CE1 4.16Å; Y143-F165 AromaticContact CD1-CE2 3.58Å; Y143-F165 HydrophobicContact CD1-CE2 3.58Å; Y143-F165 HydrophobicContact CD1-CG 4.37Å; Y143-F165 AromaticContact CD1-CZ 3.7Å; Y143-F165 HydrophobicContact CD1-CZ 3.7Å; Y143-F165 HydrophobicContact CD2-CD2 4.15Å; Y143-F165 AromaticContact CD2-CE2 3.39Å; Y143-F165 HydrophobicContact CD2-CE2 3.39Å; Y143-F165 AromaticContact CD2-CZ 3.95Å; Y143-F165 HydrophobicContact CD2-CZ 3.95Å; Y143-F165 AromaticContact CE1-CD2 3.64Å; Y143-F165 HydrophobicContact CE1-CD2 3.64Å; Y143-F165 AromaticContact CE1-CE2 3.75Å; Y143-F165 HydrophobicContact CE1-CE2 3.75Å; Y143-F165 HydrophobicContact CE1-CG 4.11Å; Y143-F165 HydrophobicContact CE1-CZ 4.28Å; Y143-F165 AromaticContact CE2-CD2 3.88Å; Y143-F165 HydrophobicContact CE2-CD2 3.88Å; Y143-F165 AromaticContact CE2-CE2 3.57Å; Y143-F165 HydrophobicContact CE2-CE2 3.57Å; Y143-F165 HydrophobicContact CG-CD2 4.16Å; Y143-F165 HydrophobicContact CG-CE1 4.35Å; Y143-F165 AromaticContact CG-CE2 3.38Å; Y143-F165 HydrophobicContact CG-CE2 3.38Å; Y143-F165 AromaticContact CG-CZ 3.48Å; Y143-F165 HydrophobicContact CG-CZ 3.48Å; Y143-F165 VanDerWaalsContact CG-CZ 3.48Å; Y143-F165 AromaticContact CZ-CD2 3.59Å; Y143-F165 AromaticContact CZ-CE2 3.72Å; I161-F165 HydrophobicContact CG2-CD2 4.02Å; I161-F165 HydrophobicContact CG2-CE2 3.8Å; I161-F165 WeakPolarHBondContact O-CD2 3.19Å; I161-F165 PolarHBondContact O-N 2.85Å; I161-F165 VanDerWaalsContact O-N 3.08Å; R162-F165 PolarHBondContact O-N 3.06Å; F165-V167 VanDerWaalsContact C-N 3.27Å; F165-V167 PolarHBondContact O-N 2.92Å; F165-W168 PolarHBondContact O-N 3Å; F165-Q169 WeakPolarHBondContact O-CB 3.41Å; F165-Q169 PolarHBondContact O-N 2.95Å; F165-F176 HydrophobicContact CB-CB 4.23Å; F165-F176 HydrophobicContact CB-CD2 4.1Å; F165-F176 HydrophobicContact CB-CG 4.18Å; F165-F176 HydrophobicContact CD1-CB 3.91Å; F165-F176 AromaticContact CD1-CD1 3.33Å; F165-F176 HydrophobicContact CD1-CD1 3.33Å; F165-F176 AromaticContact CD1-CD2 3.82Å; F165-F176 HydrophobicContact CD1-CD2 3.82Å; F165-F176 AromaticContact CD1-CE1 3.71Å; F165-F176 HydrophobicContact CD1-CE1 3.71Å; F165-F176 HydrophobicContact CD1-CE2 4.16Å; F165-F176 AromaticContact CD1-CG 3.39Å; F165-F176 HydrophobicContact CD1-CG 3.39Å; F165-F176 HydrophobicContact CD1-CZ 4.11Å; F165-F176 AromaticContact CE1-CD1 3.54Å; F165-F176 HydrophobicContact CE1-CD1 3.54Å; F165-F176 AromaticContact CE1-CE1 3.85Å; F165-F176 HydrophobicContact CE1-CE1 3.85Å; F165-F176 HydrophobicContact CE1-CG 4.06Å; F165-F176 HydrophobicContact CG-CB 4.2Å; F165-F176 HydrophobicContact CG-CD1 4.39Å; F165-F176 HydrophobicContact CG-CD2 4.4Å; F165-F176 HydrophobicContact CG-CG 4.08Å; F165-I193 HydrophobicContact CE1-CD1 4.24Å; F165-I193 HydrophobicContact CZ-CD1 4.47Å; F165-I195 HydrophobicContact CE2-CD1 3.76Å; F165-I195 HydrophobicContact CZ-CD1 4.06Å; F165-L257 HydrophobicContact CD1-CD1 3.91Å; F165-L257 HydrophobicContact CD1-CD2 4.47Å; F165-L257 HydrophobicContact CD2-CD1 3.82Å; F165-L257 HydrophobicContact CE1-CD1 3.96Å; F165-L257 HydrophobicContact CE1-CD2 3.69Å; F165-L257 HydrophobicContact CE1-CG 4.42Å; F165-L257 HydrophobicContact CE2-CD1 3.84Å; F165-L257 HydrophobicContact CE2-CD2 4.02Å; F165-L257 HydrophobicContact CG-CD1 3.86Å; F165-L257 HydrophobicContact CZ-CD1 3.92Å; F165-L257 HydrophobicContact CZ-CD2 3.43Å; F165-L257 VanDerWaalsContact CZ-CD2 3.43Å; F165-L257 HydrophobicContact CZ-CG 4.34Å
166	D	96.6	Very high	96.7	Very high	59 Å²	59	44.6 Å²	44.6	32%	0.316	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-33.7	178.5	-75.3	-26.6	0	0	0	112.8	R162 Q163 A164 K170	R162-D166 PolarHBondContact O-N 2.87Å; Q163-D166 WeakPolarHBondContact O-CB 3.19Å; Q163-D166 PolarHBondContact O-N 3.02Å; A164-D166 VanDerWaalsContact C-N 3.35Å; A164-D166 PolarHBondContact O-N 3.31Å; D166-K170 WeakPolarHBondContact O-CB 3.25Å; D166-K170 WeakPolarHBondContact O-CD 3.42Å; D166-K170 WeakPolarHBondContact O-CG 3.22Å; D166-K170 PolarHBondContact O-N 2.98Å
167	V	97.4	Very high	96.7	Very high	16 Å²	16	45.6 Å²	45.6	10%	0.097	21%	0.211	C	C	.	.	H	α-helix	trans	-57.9	-50	174.6	170.7	0	0	0	0	110.4	Q163 A164 F165 F250 V254 F285 L287	Q163-V167 WeakPolarHBondContact O-CG2 3.28Å; Q163-V167 PolarHBondContact O-N 2.87Å; Q163-V167 VanDerWaalsContact O-N 3.09Å; A164-V167 WeakPolarHBondContact O-CB 3.42Å; A164-V167 PolarHBondContact O-N 3.02Å; F165-V167 VanDerWaalsContact C-N 3.27Å; F165-V167 PolarHBondContact O-N 2.92Å; V167-F250 HydrophobicContact CG2-CE2 3.98Å; V167-F250 HydrophobicContact CG2-CZ 3.79Å; V167-V254 HydrophobicContact CB-CG2 4.39Å; V167-V254 HydrophobicContact CG1-CG1 4.18Å; V167-V254 HydrophobicContact CG2-CG2 4.15Å; V167-F285 HydrophobicContact CG1-CD1 4.12Å; V167-F285 HydrophobicContact CG1-CE1 3.9Å; V167-F285 HydrophobicContact CG2-CD1 3.89Å; V167-F285 HydrophobicContact CG2-CE1 4.37Å; V167-L287 HydrophobicContact CG1-CB 4.43Å; V167-L287 HydrophobicContact CG1-CD1 4.14Å
168	W	97.6	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-72.8	-37.8	-179.8	-66.3	114.9	0	0	0	112.6	F165 K170 V171 T172 F176 V254 L261 L263 M273 L287 D291 I295	F165-W168 PolarHBondContact O-N 3Å; W168-K170 VanDerWaalsContact C-N 3.33Å; W168-K170 PolarHBondContact O-N 3.48Å; W168-V171 HydrophobicContact CE3-CG2 4.48Å; W168-V171 WeakPolarHBondContact O-CG2 3.23Å; W168-V171 PolarHBondContact O-N 3.34Å; W168-T172 WeakPolarHBondContact O-CB 3.19Å; W168-T172 WeakPolarHBondContact O-CG2 3.39Å; W168-T172 PolarHBondContact O-N 3.46Å; W168-T172 PolarHBondContact O-OG1 2.81Å; W168-F176 HydrophobicContact CB-CE2 4.35Å; W168-V254 HydrophobicContact CZ2-CG1 4.15Å; W168-V254 WeakPolarHBondContact CZ2-O 3.38Å; W168-V254 PolarHBondContact NE1-O 2.96Å; W168-L261 HydrophobicContact CB-CD1 3.63Å; W168-L261 HydrophobicContact CD2-CD1 3.96Å; W168-L261 HydrophobicContact CE3-CD1 4.48Å; W168-L261 HydrophobicContact CG-CD1 3.58Å; W168-L263 HydrophobicContact CH2-CD1 3.25Å; W168-L263 HydrophobicContact CZ2-CD1 4.09Å; W168-L263 HydrophobicContact CZ3-CD1 3.57Å; W168-M273 HydrophobicContact CH2-SD 4.5Å; W168-M273 HydrophobicContact CZ2-SD 4.28Å; W168-L287 HydrophobicContact CE3-CD2 4.05Å; W168-L287 HydrophobicContact CH2-CD1 3.85Å; W168-L287 HydrophobicContact CH2-CD2 4.17Å; W168-L287 HydrophobicContact CZ2-CD1 4.31Å; W168-L287 HydrophobicContact CZ3-CD1 4.04Å; W168-L287 HydrophobicContact CZ3-CD2 3.55Å; W168-L287 HydrophobicContact CZ3-CG 4.45Å; W168-D291 HydrophobicContact CH2-CB 4.4Å; W168-I295 HydrophobicContact CE3-CB 4.1Å; W168-I295 HydrophobicContact CE3-CD1 4.17Å; W168-I295 HydrophobicContact CE3-CG1 3.8Å; W168-I295 HydrophobicContact CE3-CG2 4.14Å; W168-I295 HydrophobicContact CZ3-CB 3.73Å; W168-I295 HydrophobicContact CZ3-CD1 4.22Å; W168-I295 HydrophobicContact CZ3-CG1 3.91Å; W168-I295 HydrophobicContact CZ3-CG2 3.89Å
169	Q	96.5	Very high	96.5	Very high	61 Å²	61	45.3 Å²	45.3	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-59.5	-42.2	177.5	-170.3	168.2	-98.7	0	0	111.9	F165 V171 T172 L174 F176	F165-Q169 WeakPolarHBondContact O-CB 3.41Å; F165-Q169 PolarHBondContact O-N 2.95Å; Q169-V171 PolarHBondContact O-N 3.36Å; Q169-T172 PolarHBondContact O-N 3.17Å; Q169-L174 WeakPolarHBondContact CG-O 3.22Å; Q169-F176 HydrophobicContact CB-CD2 3.89Å; Q169-F176 HydrophobicContact CB-CE2 3.99Å; Q169-F176 HydrophobicContact CG-CD2 4.33Å
170	K	95.6	Very high	96.3	Very high	156 Å²	156	41.6 Å²	41.6	68%	0.678	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.5	-178.5	-77.5	168.1	-173.5	170.4	0	114.2	D166 W168 P302	D166-K170 WeakPolarHBondContact O-CB 3.25Å; D166-K170 WeakPolarHBondContact O-CD 3.42Å; D166-K170 WeakPolarHBondContact O-CG 3.22Å; D166-K170 PolarHBondContact O-N 2.98Å; W168-K170 VanDerWaalsContact C-N 3.33Å; W168-K170 PolarHBondContact O-N 3.48Å; K170-P302 WeakPolarHBondContact O-CG 3.46Å
171	V	96.1	Very high	95.8	Very high	23 Å²	23	44.1 Å²	44.1	14%	0.139	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	3.7	-173.2	-58.9	0	0	0	0	113.5	W168 Q169 L287 L292 I295 Q296 P302	W168-V171 HydrophobicContact CE3-CG2 4.48Å; W168-V171 WeakPolarHBondContact O-CG2 3.23Å; W168-V171 PolarHBondContact O-N 3.34Å; Q169-V171 PolarHBondContact O-N 3.36Å; V171-L287 HydrophobicContact CG2-CD2 3.93Å; V171-L292 HydrophobicContact CG1-CD1 4.46Å; V171-I295 HydrophobicContact CG2-CG2 3.93Å; V171-Q296 WeakPolarHBondContact O-CG 3.12Å; V171-Q296 PolarHBondContact O-NE2 3.34Å; V171-P302 WeakPolarHBondContact O-CD 3.38Å
172	T	96	Very high	95.1	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.025	24%	0.242	C	C	.	.	S	Bend	trans	-132.4	165	-179.9	64.2	0	0	0	0	111.3	W168 Q169 L174 I295	W168-T172 WeakPolarHBondContact O-CB 3.19Å; W168-T172 WeakPolarHBondContact O-CG2 3.39Å; W168-T172 PolarHBondContact O-N 3.46Å; W168-T172 PolarHBondContact O-OG1 2.81Å; Q169-T172 PolarHBondContact O-N 3.17Å; T172-L174 PolarHBondContact O-N 2.95Å; T172-L174 WeakPolarHBondContact OG1-CB 3.46Å; T172-L174 PolarHBondContact OG1-N 3.34Å; T172-I295 HydrophobicContact CG2-CB 4.38Å; T172-I295 HydrophobicContact CG2-CD1 4.5Å; T172-I295 HydrophobicContact CG2-CG1 3.43Å; T172-I295 VanDerWaalsContact CG2-CG1 3.43Å; T172-I295 HydrophobicContact CG2-CG2 4.09Å
173	P	95.8	Very high	94.4	Very high	23 Å²	23	48.7 Å²	48.7	15%	0.149	24%	0.24	C	C	.	.	S	Bend	trans	-82.4	12.7	169.8	35.8	-38.9	0	0	0	113.1	K139 Y299 G300	K139-P173 HydrophobicContact CD-CB 4.43Å; P173-Y299 VanDerWaalsContact CG-O 3.26Å; P173-Y299 WeakPolarHBondContact CG-O 3.41Å; P173-G300 VanDerWaalsContact CD-O 3.29Å; P173-G300 WeakPolarHBondContact CD-O 3.25Å
174	L	96.4	Very high	93.4	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.224	C	C	.	.			trans	-81.7	156	179.7	-58.6	178.6	0	0	0	110.5	K139 I141 Q169 T172 F176 L261 Y299	K139-L174 HydrophobicContact CB-CD2 4.33Å; K139-L174 HydrophobicContact CG-CD2 4.48Å; K139-L174 CarbonylContact O-C 3.56Å; K139-L174 VanDerWaalsContact O-CA 3.27Å; K139-L174 WeakPolarHBondContact O-CA 3.47Å; I141-L174 HydrophobicContact CD1-CD1 3.99Å; I141-L174 HydrophobicContact CD1-CD2 4.23Å; Q169-L174 WeakPolarHBondContact CG-O 3.22Å; T172-L174 PolarHBondContact O-N 2.95Å; T172-L174 WeakPolarHBondContact OG1-CB 3.46Å; T172-L174 PolarHBondContact OG1-N 3.34Å; L174-F176 HydrophobicContact CB-CE2 4.21Å; L174-F176 HydrophobicContact CB-CZ 4.02Å; L174-F176 HydrophobicContact CD1-CZ 4.12Å; L174-L261 HydrophobicContact CD1-CD2 3.73Å; L174-Y299 HydrophobicContact CD1-CD1 4.01Å; L174-Y299 HydrophobicContact CD1-CD2 3.92Å; L174-Y299 HydrophobicContact CD1-CE1 3.97Å; L174-Y299 HydrophobicContact CD1-CE2 3.88Å; L174-Y299 HydrophobicContact CD1-CG 3.99Å; L174-Y299 HydrophobicContact CD2-CD1 3.73Å; L174-Y299 HydrophobicContact CD2-CE1 3.95Å; L174-Y299 HydrophobicContact CD2-CG 4.3Å; L174-Y299 HydrophobicContact CG-CD1 4.1Å; L174-Y299 HydrophobicContact CG-CE1 4.43Å; L174-Y299 HydrophobicContact CG-CG 4.18Å
175	T	96.9	Very high	91.7	Very high	63 Å²	63	52.7 Å²	52.7	39%	0.387	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.2	172.2	52.2	0	0	0	0	109.9	K139 H140 I141	K139-T175 PolarHBondContact O-N 2.83Å; H140-T175 WeakPolarHBondContact CA-OG1 3.43Å; H140-T175 PolarHBondContact CD2-OG1 2.83Å; I141-T175 PolarHBondContact N-O 2.82Å
176	F	97.5	Very high	90	Very high	24 Å²	24	56.5 Å²	56.5	11%	0.105	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130	-176.7	-56.9	-78.4	0	0	0	112	I141 Y143 F165 W168 Q169 L174 L261	I141-F176 HydrophobicContact CB-CD1 3.89Å; I141-F176 HydrophobicContact CB-CE1 4.02Å; I141-F176 HydrophobicContact CD1-CE1 3.84Å; I141-F176 HydrophobicContact CG1-CE1 4.5Å; I141-F176 HydrophobicContact CG2-CD1 4.23Å; I141-F176 HydrophobicContact CG2-CE1 4.3Å; I141-F176 VanDerWaalsContact O-CA 3.3Å; I141-F176 WeakPolarHBondContact O-CA 3.03Å; Y143-F176 HydrophobicContact CD1-CB 4.27Å; Y143-F176 HydrophobicContact CE1-CB 4.16Å; F165-F176 HydrophobicContact CB-CB 4.23Å; F165-F176 HydrophobicContact CB-CD2 4.1Å; F165-F176 HydrophobicContact CB-CG 4.18Å; F165-F176 HydrophobicContact CD1-CB 3.91Å; F165-F176 AromaticContact CD1-CD1 3.33Å; F165-F176 HydrophobicContact CD1-CD1 3.33Å; F165-F176 AromaticContact CD1-CD2 3.82Å; F165-F176 HydrophobicContact CD1-CD2 3.82Å; F165-F176 AromaticContact CD1-CE1 3.71Å; F165-F176 HydrophobicContact CD1-CE1 3.71Å; F165-F176 HydrophobicContact CD1-CE2 4.16Å; F165-F176 AromaticContact CD1-CG 3.39Å; F165-F176 HydrophobicContact CD1-CG 3.39Å; F165-F176 HydrophobicContact CD1-CZ 4.11Å; F165-F176 AromaticContact CE1-CD1 3.54Å; F165-F176 HydrophobicContact CE1-CD1 3.54Å; F165-F176 AromaticContact CE1-CE1 3.85Å; F165-F176 HydrophobicContact CE1-CE1 3.85Å; F165-F176 HydrophobicContact CE1-CG 4.06Å; F165-F176 HydrophobicContact CG-CB 4.2Å; F165-F176 HydrophobicContact CG-CD1 4.39Å; F165-F176 HydrophobicContact CG-CD2 4.4Å; F165-F176 HydrophobicContact CG-CG 4.08Å; W168-F176 HydrophobicContact CB-CE2 4.35Å; Q169-F176 HydrophobicContact CB-CD2 3.89Å; Q169-F176 HydrophobicContact CB-CE2 3.99Å; Q169-F176 HydrophobicContact CG-CD2 4.33Å; L174-F176 HydrophobicContact CB-CE2 4.21Å; L174-F176 HydrophobicContact CB-CZ 4.02Å; L174-F176 HydrophobicContact CD1-CZ 4.12Å; F176-L261 HydrophobicContact CE1-CD2 3.91Å; F176-L261 HydrophobicContact CZ-CD1 4.08Å; F176-L261 HydrophobicContact CZ-CD2 3.85Å
177	E	96.1	Very high	88.2	Confident	101 Å²	101	58.3 Å²	58.3	47%	0.472	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.2	176.4	-176.8	-180	-167.2	0	0	110.5	H140 I141 T142 Y143	H140-E177 IonicContact CE1-OE2 2.81Å; H140-E177 PolarHBondContact CE1-OE2 3.31Å; H140-E177 IonicContact NE2-OE2 3.16Å; H140-E177 PolarHBondContact NE2-OE2 3.14Å; I141-E177 PolarHBondContact O-N 2.94Å; T142-E177 CarbonylContact C-O 3.47Å; T142-E177 VanDerWaalsContact CA-O 3.31Å; T142-E177 WeakPolarHBondContact CA-O 3.47Å; T142-E177 HydrophobicContact CG2-CB 4.45Å; Y143-E177 WeakPolarHBondContact CD1-O 3.5Å; Y143-E177 PolarHBondContact N-O 2.88Å
178	E	95.5	Very high	86.2	Confident	45 Å²	45	68.7 Å²	68.7	21%	0.21	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	120	173.6	-171	-179.2	169.5	0	0	109.9	Y143 R158 R162	Y143-E178 HydrophobicContact CD2-CG 4.35Å; Y143-E178 HydrophobicContact CE1-CB 3.9Å; Y143-E178 HydrophobicContact CE2-CB 3.89Å; Y143-E178 HydrophobicContact CE2-CG 3.7Å; Y143-E178 WeakPolarHBondContact O-CA 3Å; R158-E178 IonicContact NE-OE1 3.35Å; R162-E178 IonicContact NH1-OE2 3.72Å; R162-E178 PolarHBondContact NH1-OE2 2.77Å
179	V	93.1	Very high	84.6	Confident	32 Å²	32	75.2 Å²	75.2	19%	0.194	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-99.4	122.7	171.9	-179.8	0	0	0	0	108.9	T142 Y143 S144 Y181 I184	T142-V179 HydrophobicContact CG2-CG2 4.16Å; Y143-V179 PolarHBondContact O-N 2.89Å; S144-V179 VanDerWaalsContact CB-O 3.25Å; S144-V179 WeakPolarHBondContact CB-O 3.39Å; S144-V179 PolarHBondContact OG-O 2.9Å; V179-Y181 PolarHBondContact O-N 2.76Å; V179-I184 HydrophobicContact CG1-CG1 4.21Å
180	P	91	Very high	83.4	Confident	44 Å²	44	77.9 Å²	77.9	29%	0.286	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-60.2	131	179.2	-24.4	34.4	0	0	0	113	H182 E183	P180-H182 WeakPolarHBondContact CB-CE1 3.5Å; P180-H182 WeakPolarHBondContact CB-ND1 3.49Å; P180-H182 PolarHBondContact O-N 2.85Å; P180-E183 HydrophobicContact CB-CG 4.33Å; P180-E183 WeakPolarHBondContact O-CB 3.24Å; P180-E183 PolarHBondContact O-N 2.73Å
181	Y	86	Confident	83	Confident	53 Å²	53	71 Å²	71	21%	0.208	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-27.2	-174.7	179.1	-113.1	0	0	0	114.9	S144 I145 H146 V179 E183 I184 K185 M194	S144-Y181 WeakPolarHBondContact OG-CA 3.39Å; S144-Y181 PolarHBondContact OG-N 2.89Å; I145-Y181 WeakPolarHBondContact O-CB 3.19Å; H146-Y181 HydrophobicContact CB-CD2 4.33Å; H146-Y181 HydrophobicContact CB-CE2 4.34Å; H146-Y181 AromaticContact CE1-CE1 3.93Å; H146-Y181 AromaticContact CE1-CE2 3.95Å; H146-Y181 AromaticContact CE1-CZ 3.36Å; H146-Y181 PolarHBondContact CE1-OH 3.01Å; H146-Y181 AromaticContact CG-CZ 3.97Å; H146-Y181 AromaticContact ND1-CE1 3.77Å; H146-Y181 AromaticContact ND1-CE2 3.2Å; H146-Y181 WeakPolarHBondContact ND1-CE2 3.3Å; H146-Y181 AromaticContact ND1-CZ 3.08Å; H146-Y181 PolarHBondContact ND1-OH 3.42Å; H146-Y181 VanDerWaalsContact ND1-OH 3.16Å; V179-Y181 PolarHBondContact O-N 2.76Å; Y181-E183 VanDerWaalsContact C-N 3.27Å; Y181-E183 PolarHBondContact O-N 3.39Å; Y181-I184 HydrophobicContact CD2-CB 4.36Å; Y181-I184 HydrophobicContact CD2-CG2 4.29Å; Y181-I184 HydrophobicContact CE2-CG2 4.17Å; Y181-I184 WeakPolarHBondContact O-CB 3.31Å; Y181-I184 PolarHBondContact O-N 2.78Å; Y181-K185 PolarHBondContact O-N 2.9Å; Y181-K185 VanDerWaalsContact O-N 3.13Å; Y181-M194 HydrophobicContact CD2-CE 4.1Å; Y181-M194 HydrophobicContact CE2-CE 4.14Å
182	H	83.7	Confident	82.7	Confident	131 Å²	131	71.8 Å²	71.8	61%	0.606	35%	0.347	S	S	*	.	H	α-helix	trans	-67.3	-28.2	177.6	64.4	-90.6	0	0	0	113	P180 S186	P180-H182 WeakPolarHBondContact CB-CE1 3.5Å; P180-H182 WeakPolarHBondContact CB-ND1 3.49Å; P180-H182 PolarHBondContact O-N 2.85Å; H182-S186 PolarHBondContact O-N 2.74Å
183	E	81.8	Confident	82.5	Confident	92 Å²	92	71.6 Å²	71.6	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-74.2	-34.9	175.5	-59.6	-178.9	-163.1	0	0	111.3	P180 Y181 K185 S186 D187	P180-E183 HydrophobicContact CB-CG 4.33Å; P180-E183 WeakPolarHBondContact O-CB 3.24Å; P180-E183 PolarHBondContact O-N 2.73Å; Y181-E183 VanDerWaalsContact C-N 3.27Å; Y181-E183 PolarHBondContact O-N 3.39Å; E183-K185 VanDerWaalsContact C-N 3.35Å; E183-S186 PolarHBondContact O-N 2.64Å; E183-S186 PolarHBondContact O-OG 3.28Å; E183-D187 PolarHBondContact O-N 2.77Å; E183-D187 VanDerWaalsContact O-N 3.12Å
184	I	75.5	Confident	82.2	Confident	17 Å²	17	71.6 Å²	71.6	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-44.1	172.3	-70.7	-174.4	0	0	0	111	S144 V179 Y181 S186 R188 K189 A191 M194	S144-I184 VanDerWaalsContact OG-CD1 3.3Å; S144-I184 WeakPolarHBondContact OG-CD1 3.35Å; V179-I184 HydrophobicContact CG1-CG1 4.21Å; Y181-I184 HydrophobicContact CD2-CB 4.36Å; Y181-I184 HydrophobicContact CD2-CG2 4.29Å; Y181-I184 HydrophobicContact CE2-CG2 4.17Å; Y181-I184 WeakPolarHBondContact O-CB 3.31Å; Y181-I184 PolarHBondContact O-N 2.78Å; I184-S186 VanDerWaalsContact C-N 3.34Å; I184-S186 PolarHBondContact O-N 3.13Å; I184-R188 PolarHBondContact O-N 2.87Å; I184-R188 VanDerWaalsContact O-N 3.13Å; I184-K189 WeakPolarHBondContact CA-O 3.22Å; I184-K189 WeakPolarHBondContact CB-O 3.35Å; I184-K189 WeakPolarHBondContact CG1-O 3.19Å; I184-K189 WeakPolarHBondContact CG2-O 3.42Å; I184-A191 HydrophobicContact CD1-CB 3.92Å; I184-M194 HydrophobicContact CD1-CE 3.88Å; I184-M194 HydrophobicContact CD1-SD 3.72Å; I184-M194 HydrophobicContact CG2-CE 4.36Å
185	K	63.1	Low	82.1	Confident	157 Å²	157	71.4 Å²	71.4	68%	0.683	34%	0.343	S	S	*	.	H	α-helix	trans	-66	-34.1	-179.7	-170.4	177.6	-179.8	177.6	0	112.9	Y181 E183	Y181-K185 PolarHBondContact O-N 2.9Å; Y181-K185 VanDerWaalsContact O-N 3.13Å; E183-K185 VanDerWaalsContact C-N 3.35Å
186	S	62.1	Low	81.7	Confident	81 Å²	81	70.2 Å²	70.2	57%	0.566	33%	0.332	S	S	*	.	H	α-helix	trans	-77.6	-43.7	-179.8	62.8	0	0	0	0	112.5	H182 E183 I184	H182-S186 PolarHBondContact O-N 2.74Å; E183-S186 PolarHBondContact O-N 2.64Å; E183-S186 PolarHBondContact O-OG 3.28Å; I184-S186 VanDerWaalsContact C-N 3.34Å; I184-S186 PolarHBondContact O-N 3.13Å
187	D	58.3	Low	81.5	Confident	97 Å²	97	69.4 Å²	69.4	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-97.1	-4.6	-167.2	-75.7	16.6	0	0	0	113.6	E183 K189	E183-D187 PolarHBondContact O-N 2.77Å; E183-D187 VanDerWaalsContact O-N 3.12Å; D187-K189 HydrophobicContact CB-CB 4.38Å; D187-K189 HydrophobicContact CB-CD 4.12Å; D187-K189 HydrophobicContact CB-CG 4.05Å; D187-K189 PolarHBondContact O-N 2.85Å; D187-K189 VanDerWaalsContact O-N 3.14Å; D187-K189 IonicContact OD2-NZ 3.95Å
188	R	55.3	Low	80.8	Confident	234 Å²	234	65.3 Å²	65.3	88%	0.883	31%	0.312	S	S	*	.			trans	54.5	23.3	-170	-54.5	179.8	175.2	-171.8	-3.4	112.9	I184	I184-R188 PolarHBondContact O-N 2.87Å; I184-R188 VanDerWaalsContact O-N 3.13Å
189	K	65.1	Low	80.1	Confident	138 Å²	138	64.5 Å²	64.5	60%	0.6	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-87.8	132.6	172	-72.8	177	-178.3	164.3	0	108.4	I184 D187	I184-K189 WeakPolarHBondContact CA-O 3.22Å; I184-K189 WeakPolarHBondContact CB-O 3.35Å; I184-K189 WeakPolarHBondContact CG1-O 3.19Å; I184-K189 WeakPolarHBondContact CG2-O 3.42Å; D187-K189 HydrophobicContact CB-CB 4.38Å; D187-K189 HydrophobicContact CB-CD 4.12Å; D187-K189 HydrophobicContact CB-CG 4.05Å; D187-K189 PolarHBondContact O-N 2.85Å; D187-K189 VanDerWaalsContact O-N 3.14Å; D187-K189 IonicContact OD2-NZ 3.95Å
190	E	70.1	Confident	79.3	Confident	117 Å²	117	63.1 Å²	63.1	55%	0.547	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-96.7	143.6	173.1	-61.8	-174.8	144.6	0	0	108.7	K396	E190-K396 VanDerWaalsContact CD-NZ 3.25Å; E190-K396 IonicContact OE1-NZ 3.65Å; E190-K396 PolarHBondContact OE1-NZ 2.87Å; E190-K396 IonicContact OE2-NZ 2.78Å; E190-K396 PolarHBondContact OE2-NZ 3.41Å; E190-K396 VanDerWaalsContact OE2-NZ 3.13Å
191	A	87.9	Confident	78.2	Confident	11 Å²	11	61.1 Å²	61.1	9%	0.091	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-74	163.6	165.3	0	0	0	0	0	109.1	I184 I193 M194	I184-A191 HydrophobicContact CD1-CB 3.92Å; A191-I193 PolarHBondContact O-N 3.46Å; A191-M194 HydrophobicContact CB-SD 3.97Å
192	D	89.8	Confident	77.3	Confident	40 Å²	40	59.4 Å²	59.4	21%	0.214	28%	0.284	C	S	.	.	S	Bend	trans	-66.1	-30.5	177.5	-55.7	-71.9	0	0	0	111.9	W136 Q138 I141 T142	W136-D192 HydrophobicContact CH2-CB 4.06Å; W136-D192 WeakPolarHBondContact CH2-O 3.24Å; W136-D192 HydrophobicContact CZ3-CB 4.09Å; Q138-D192 PolarHBondContact NE2-OD1 3.13Å; Q138-D192 PolarHBondContact NE2-OD2 3.24Å; I141-D192 HydrophobicContact CG2-CB 3.9Å; T142-D192 PolarHBondContact N-OD2 2.87Å; T142-D192 WeakPolarHBondContact O-CA 3.2Å; T142-D192 WeakPolarHBondContact O-CB 3.12Å; T142-D192 PolarHBondContact O-N 2.91Å; T142-D192 PolarHBondContact OG1-N 2.86Å; T142-D192 VanDerWaalsContact OG1-N 3.08Å; T142-D192 PolarHBondContact OG1-OD2 3.36Å
193	I	92.4	Very high	76.3	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	114.3	177.3	-65.4	171	0	0	0	109.6	W136 I141 T142 Y143 S144 F165 A191 I195 G227 A260	W136-I193 HydrophobicContact CZ2-CD1 4.39Å; W136-I193 HydrophobicContact CZ2-CG1 3.96Å; I141-I193 HydrophobicContact CG2-CD1 3.74Å; I141-I193 HydrophobicContact CG2-CG1 4.16Å; T142-I193 PolarHBondContact O-N 2.95Å; Y143-I193 CarbonylContact C-O 3.59Å; Y143-I193 WeakPolarHBondContact CA-O 3.41Å; S144-I193 PolarHBondContact N-O 3.08Å; F165-I193 HydrophobicContact CE1-CD1 4.24Å; F165-I193 HydrophobicContact CZ-CD1 4.47Å; A191-I193 PolarHBondContact O-N 3.46Å; I193-I195 HydrophobicContact CG2-CD1 4.4Å; I193-I195 HydrophobicContact CG2-CG1 3.93Å; I193-G227 VanDerWaalsContact CG2-O 3.32Å; I193-G227 WeakPolarHBondContact CG2-O 3.5Å; I193-A260 HydrophobicContact CD1-CB 4.24Å
194	M	88.7	Confident	75.6	Confident	22 Å²	22	49.3 Å²	49.3	11%	0.108	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.3	170.6	-58.3	-61.7	-58.3	0	0	110.3	Y181 I184 A191 D228 T229	Y181-M194 HydrophobicContact CD2-CE 4.1Å; Y181-M194 HydrophobicContact CE2-CE 4.14Å; I184-M194 HydrophobicContact CD1-CE 3.88Å; I184-M194 HydrophobicContact CD1-SD 3.72Å; I184-M194 HydrophobicContact CG2-CE 4.36Å; A191-M194 HydrophobicContact CB-SD 3.97Å; M194-D228 VanDerWaalsContact CB-OD1 3.24Å; M194-D228 WeakPolarHBondContact CB-OD1 3.15Å; M194-D228 PolarHBondContact N-OD1 3.39Å; M194-D228 CarbonylContact O-C 3.58Å; M194-D228 VanDerWaalsContact O-CA 3.31Å; M194-D228 WeakPolarHBondContact O-CA 3.1Å; M194-T229 PolarHBondContact O-N 3.28Å
195	I	94.3	Very high	74.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.2	178.4	-60.1	176.9	0	0	0	109.2	Y143 S144 I145 H146 I161 F165 I193 T229 F231 L257	Y143-I195 HydrophobicContact CD2-CD1 4.14Å; S144-I195 PolarHBondContact O-N 2.84Å; I145-I195 HydrophobicContact CG1-CB 4.35Å; H146-I195 WeakPolarHBondContact CB-O 3.43Å; H146-I195 PolarHBondContact N-O 2.91Å; I161-I195 HydrophobicContact CG2-CD1 3.53Å; F165-I195 HydrophobicContact CE2-CD1 3.76Å; F165-I195 HydrophobicContact CZ-CD1 4.06Å; I193-I195 HydrophobicContact CG2-CD1 4.4Å; I193-I195 HydrophobicContact CG2-CG1 3.93Å; I195-T229 WeakPolarHBondContact CA-O 3.34Å; I195-F231 HydrophobicContact CG2-CD2 4.02Å; I195-F231 HydrophobicContact CG2-CE2 3.65Å; I195-L257 HydrophobicContact CD1-CD2 4.43Å
196	F	89.5	Confident	74.9	Confident	38 Å²	38	45.2 Å²	45.2	17%	0.167	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	158.9	175.2	68.5	-96.4	0	0	0	114	H146 N147 A198 H202 T229 H230 F231	H146-F196 HydrophobicContact CB-CB 3.55Å; N147-F196 VanDerWaalsContact OD1-CA 3.31Å; N147-F196 WeakPolarHBondContact OD1-CA 3.48Å; N147-F196 WeakPolarHBondContact OD1-CB 3.35Å; F196-A198 HydrophobicContact CD2-CB 3.91Å; F196-A198 HydrophobicContact CE2-CB 3.81Å; F196-H202 HydrophobicContact CE2-CB 4.35Å; F196-H202 AromaticContact CE2-CD2 3.7Å; F196-H202 AromaticContact CZ-CD2 3.93Å; F196-T229 PolarHBondContact N-O 3.39Å; F196-T229 VanDerWaalsContact N-O 3.1Å; F196-H230 AromaticContact CD1-CD2 3.6Å; F196-H230 AromaticContact CD1-NE2 3.94Å; F196-H230 AromaticContact CE1-CD2 3.05Å; F196-H230 WeakPolarHBondContact CE1-CD2 3.24Å; F196-H230 AromaticContact CE1-CE1 3.74Å; F196-H230 AromaticContact CE1-CG 3.88Å; F196-H230 AromaticContact CE1-NE2 2.98Å; F196-H230 WeakPolarHBondContact CE1-NE2 3.27Å; F196-H230 HydrophobicContact CE2-CB 4.4Å; F196-H230 AromaticContact CE2-CD2 3.89Å; F196-H230 AromaticContact CE2-CG 3.89Å; F196-H230 HydrophobicContact CZ-CB 4.5Å; F196-H230 AromaticContact CZ-CD2 3.21Å; F196-H230 WeakPolarHBondContact CZ-CD2 3.32Å; F196-H230 AromaticContact CZ-CE1 3.42Å; F196-H230 VanDerWaalsContact CZ-CE1 3.42Å; F196-H230 WeakPolarHBondContact CZ-CE1 3.5Å; F196-H230 AromaticContact CZ-CG 3.54Å; F196-H230 AromaticContact CZ-ND1 3.62Å; F196-H230 AromaticContact CZ-NE2 3.16Å; F196-H230 WeakPolarHBondContact CZ-NE2 3.43Å; F196-H230 CarbonylContact O-C 3.54Å; F196-H230 VanDerWaalsContact O-CA 3.31Å; F196-H230 WeakPolarHBondContact O-CA 3.34Å; F196-F231 PolarHBondContact O-N 2.62Å
197	F	92.7	Very high	75.3	Confident	7 Å²	7	44 Å²	44	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.3	177.1	-63	-101	0	0	0	108.6	N147 T149 T157 F231 L249	N147-F197 PolarHBondContact ND2-O 3.48Å; N147-F197 WeakPolarHBondContact O-CD2 3.19Å; N147-F197 PolarHBondContact OD1-N 3.24Å; T149-F197 HydrophobicContact CG2-CD1 4.39Å; T149-F197 HydrophobicContact CG2-CE1 3.81Å; T149-F197 HydrophobicContact CG2-CZ 4.12Å; T157-F197 HydrophobicContact CG2-CE2 3.79Å; T157-F197 HydrophobicContact CG2-CZ 3.78Å; F197-F231 VanDerWaalsContact CA-O 3.27Å; F197-F231 WeakPolarHBondContact CA-O 3.38Å; F197-F231 HydrophobicContact CD1-CB 3.4Å; F197-F231 VanDerWaalsContact CD1-CB 3.4Å; F197-F231 HydrophobicContact CD1-CG 4.2Å; F197-F231 HydrophobicContact CE1-CB 3.49Å; F197-F231 VanDerWaalsContact CE1-CB 3.49Å; F197-F231 HydrophobicContact CE1-CD1 4.41Å; F197-F231 HydrophobicContact CE1-CD2 4.21Å; F197-F231 AromaticContact CE1-CG 3.81Å; F197-F231 HydrophobicContact CE1-CG 3.81Å; F197-F231 HydrophobicContact CE2-CD2 4.42Å; F197-F231 HydrophobicContact CG-CB 4.07Å; F197-F231 HydrophobicContact CZ-CB 4.23Å; F197-F231 HydrophobicContact CZ-CD2 4.09Å; F197-F231 HydrophobicContact CZ-CG 4.14Å; F197-L249 HydrophobicContact CE1-CD1 3.96Å; F197-L249 HydrophobicContact CZ-CD1 3.95Å; F197-L249 HydrophobicContact CZ-CD2 4.31Å
198	A	81.5	Confident	76.3	Confident	16 Å²	16	39.9 Å²	39.9	13%	0.132	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	165.1	179.6	0	0	0	0	0	111.4	F196 H202 F208 F231 D232 S233	F196-A198 HydrophobicContact CD2-CB 3.91Å; F196-A198 HydrophobicContact CE2-CB 3.81Å; A198-H202 HydrophobicContact CB-CB 3.51Å; A198-F208 HydrophobicContact CB-CE2 4.39Å; A198-F208 WeakPolarHBondContact O-CD2 3.42Å; A198-F208 WeakPolarHBondContact O-CE2 3.44Å; A198-F231 PolarHBondContact N-O 2.7Å; A198-D232 WeakPolarHBondContact O-CA 3.32Å; A198-S233 WeakPolarHBondContact CA-OG 3.35Å; A198-S233 PolarHBondContact O-N 2.84Å; A198-S233 PolarHBondContact O-OG 2.76Å; A198-S233 VanDerWaalsContact O-OG 3.11Å
199	S	81	Confident	77.2	Confident	28 Å²	28	32.4 Å²	32.4	20%	0.196	18%	0.177	C	C	.	.			trans	-122.3	148.1	175.3	-53.1	0	0	0	0	110.8	S233 D234	S199-S233 PolarHBondContact N-OG 3.18Å; S199-S233 PolarHBondContact OG-OG 3.34Å; S199-D234 WeakPolarHBondContact CB-OD1 3.37Å; S199-D234 VanDerWaalsContact OG-CG 3.24Å; S199-D234 PolarHBondContact OG-OD1 3.16Å
200	G	74.9	Confident	78	Confident	2 Å²	2	26.1 Å²	26.1	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	62.3	-147.3	178.8	0	0	0	0	0	113.1	H202 P207 F208	G200-H202 PolarHBondContact O-ND1 2.88Å; G200-P207 WeakPolarHBondContact O-CA 3.32Å; G200-F208 WeakPolarHBondContact CA-O 3.38Å; G200-F208 PolarHBondContact O-N 2.81Å
201	F	68	Low	78.8	Confident	3 Å²	3	28 Å²	28	1%	0.013	16%	0.16	C	C	.	.			trans	-58.8	145.2	168.9	-178	-101.2	0	0	0	109.8	D204 P207 R364 E366 F368 R377 F394 F413	F201-D204 WeakPolarHBondContact CE2-O 3.22Å; F201-P207 HydrophobicContact CB-CB 4.26Å; F201-R364 HydrophobicContact CD2-CB 4.31Å; F201-R364 HydrophobicContact CD2-CG 4.24Å; F201-R364 HydrophobicContact CE2-CG 4.1Å; F201-E366 WeakPolarHBondContact CB-OE2 3.14Å; F201-E366 PolarHBondContact N-OE1 3.03Å; F201-F368 HydrophobicContact CD1-CE2 4.43Å; F201-F368 AromaticContact CD1-CZ 3.61Å; F201-F368 HydrophobicContact CD1-CZ 3.61Å; F201-F368 HydrophobicContact CE1-CE1 4.34Å; F201-F368 AromaticContact CE1-CZ 3.68Å; F201-F368 HydrophobicContact CE1-CZ 3.68Å; F201-R377 PolarHBondContact O-NH1 2.68Å; F201-R377 PolarHBondContact O-NH2 3.37Å; F201-F394 HydrophobicContact CE1-CE1 4.32Å; F201-F394 HydrophobicContact CE1-CZ 4.03Å; F201-F413 HydrophobicContact CE2-CZ 4.27Å; F201-F413 AromaticContact CZ-CE2 3.97Å; F201-F413 HydrophobicContact CZ-CE2 3.97Å; F201-F413 HydrophobicContact CZ-CZ 4.07Å
202	H	68.7	Low	78.5	Confident	17 Å²	17	29 Å²	29	8%	0.079	17%	0.171	C	C	.	.			trans	-149.6	24.8	-179.6	48.5	-84.1	0	0	0	113.8	F196 A198 G200 D204 S206 F208 H217 H230	F196-H202 HydrophobicContact CE2-CB 4.35Å; F196-H202 AromaticContact CE2-CD2 3.7Å; F196-H202 AromaticContact CZ-CD2 3.93Å; A198-H202 HydrophobicContact CB-CB 3.51Å; G200-H202 PolarHBondContact O-ND1 2.88Å; H202-D204 IonicContact CD2-OD1 2.74Å; H202-D204 IonicContact CD2-OD2 3.33Å; H202-D204 IonicContact CE1-OD1 2.78Å; H202-D204 IonicContact NE2-OD1 3.66Å; H202-D204 IonicContact NE2-OD2 3.98Å; H202-D204 PolarHBondContact NE2-OD2 3.49Å; H202-S206 PolarHBondContact CE1-O 3.16Å; H202-F208 AromaticContact CE1-CD2 3.22Å; H202-F208 WeakPolarHBondContact CE1-CD2 3.48Å; H202-F208 AromaticContact CE1-CE2 3.13Å; H202-F208 WeakPolarHBondContact CE1-CE2 3.16Å; H202-F208 AromaticContact CE1-CG 3.88Å; H202-F208 AromaticContact CE1-CZ 3.7Å; H202-F208 AromaticContact ND1-CD2 3.41Å; H202-F208 WeakPolarHBondContact ND1-CD2 2.98Å; H202-F208 AromaticContact ND1-CE2 3.62Å; H202-F208 AromaticContact NE2-CE2 3.49Å; H202-F208 WeakPolarHBondContact NE2-CE2 3.39Å; H202-F208 AromaticContact NE2-CZ 3.88Å; H202-H217 AromaticContact CE1-CE1 3.52Å; H202-H217 AromaticContact NE2-CE1 3.25Å; H202-H217 PolarHBondContact NE2-CE1 3.41Å; H202-H217 VanDerWaalsContact NE2-CE1 3.25Å; H202-H217 AromaticContact NE2-NE2 3.53Å; H202-H230 AromaticContact CD2-CE1 4Å; H202-H230 AromaticContact CD2-CG 3.91Å; H202-H230 AromaticContact CD2-ND1 3.25Å; H202-H230 PolarHBondContact CD2-ND1 2.81Å; H202-H230 AromaticContact NE2-CG 3.71Å; H202-H230 AromaticContact NE2-ND1 3.04Å; H202-H230 PolarHBondContact NE2-ND1 2.87Å
203	G	62.5	Low	78.2	Confident	5 Å²	5	27.7 Å²	27.7	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	112	-8.6	176.2	0	0	0	0	0	113.8	V427	G203-V427 WeakPolarHBondContact O-CG1 3.39Å; G203-V427 WeakPolarHBondContact O-CG2 3.28Å; G203-V427 PolarHBondContact O-N 2.87Å
204	D	65.7	Low	77.8	Confident	5 Å²	5	29.2 Å²	29.2	3%	0.027	17%	0.174	C	C	.	.	S	Bend	trans	-119.4	-175.5	-178.4	71.9	11.2	0	0	0	112.8	F201 H202 S206 H217 Y219 H230 E426	F201-D204 WeakPolarHBondContact CE2-O 3.22Å; H202-D204 IonicContact CD2-OD1 2.74Å; H202-D204 IonicContact CD2-OD2 3.33Å; H202-D204 IonicContact CE1-OD1 2.78Å; H202-D204 IonicContact NE2-OD1 3.66Å; H202-D204 IonicContact NE2-OD2 3.98Å; H202-D204 PolarHBondContact NE2-OD2 3.49Å; D204-S206 VanDerWaalsContact C-N 3.28Å; D204-S206 PolarHBondContact O-N 3.33Å; D204-S206 PolarHBondContact OD1-N 2.98Å; D204-H217 IonicContact OD2-CD2 3.56Å; D204-H217 IonicContact OD2-CE1 3.04Å; D204-H217 IonicContact OD2-NE2 3.8Å; D204-H217 PolarHBondContact OD2-NE2 3.19Å; D204-Y219 HydrophobicContact CB-CE2 4.27Å; D204-Y219 WeakPolarHBondContact CB-OH 3.1Å; D204-Y219 PolarHBondContact OD2-OH 2.95Å; D204-H230 IonicContact OD2-CE1 2.94Å; D204-H230 PolarHBondContact OD2-CE1 3.12Å; D204-H230 IonicContact OD2-ND1 2.76Å; D204-H230 PolarHBondContact OD2-ND1 2.71Å; D204-E426 WeakPolarHBondContact CA-OE2 3.44Å
205	S	58.5	Low	78	Confident	46 Å²	46	28.3 Å²	28.3	32%	0.322	17%	0.169	S	C	.	.	S	Bend	trans	-80.9	-1.2	179.9	39.7	0	0	0	0	115.1	P207 E426	S205-P207 VanDerWaalsContact O-CD 3.28Å; S205-P207 WeakPolarHBondContact O-CD 3.44Å; S205-E426 WeakPolarHBondContact CB-OE1 3.35Å; S205-E426 PolarHBondContact N-OE2 3.26Å; S205-E426 VanDerWaalsContact N-OE2 3.13Å; S205-E426 PolarHBondContact OG-OE1 2.82Å; S205-E426 PolarHBondContact OG-OE2 3.12Å
206	S	66.5	Low	77.9	Confident	43 Å²	43	28.3 Å²	28.3	30%	0.301	17%	0.169	S	C	.	.			trans	-120.6	75.5	-169.6	-63.6	0	0	0	0	111	H202 D204 H217	H202-S206 PolarHBondContact CE1-O 3.16Å; D204-S206 VanDerWaalsContact C-N 3.28Å; D204-S206 PolarHBondContact O-N 3.33Å; D204-S206 PolarHBondContact OD1-N 2.98Å; S206-H217 PolarHBondContact O-CE1 3.47Å; S206-H217 VanDerWaalsContact O-CE1 3.31Å
207	P	69.4	Low	77.9	Confident	56 Å²	56	26.9 Å²	26.9	36%	0.364	16%	0.163	S	C	.	.			trans	-65	139	177.7	29.3	-35	0	0	0	111.4	G200 F201 S205	G200-P207 WeakPolarHBondContact O-CA 3.32Å; F201-P207 HydrophobicContact CB-CB 4.26Å; S205-P207 VanDerWaalsContact O-CD 3.28Å; S205-P207 WeakPolarHBondContact O-CD 3.44Å
208	F	79	Confident	77.8	Confident	9 Å²	9	26.8 Å²	26.8	4%	0.039	16%	0.164	C	C	.	.			trans	-70.1	146.1	171.8	-68.8	-53.5	0	0	0	112.2	A198 G200 H202 F214 H217 H230 D232	A198-F208 HydrophobicContact CB-CE2 4.39Å; A198-F208 WeakPolarHBondContact O-CD2 3.42Å; A198-F208 WeakPolarHBondContact O-CE2 3.44Å; G200-F208 WeakPolarHBondContact CA-O 3.38Å; G200-F208 PolarHBondContact O-N 2.81Å; H202-F208 AromaticContact CE1-CD2 3.22Å; H202-F208 WeakPolarHBondContact CE1-CD2 3.48Å; H202-F208 AromaticContact CE1-CE2 3.13Å; H202-F208 WeakPolarHBondContact CE1-CE2 3.16Å; H202-F208 AromaticContact CE1-CG 3.88Å; H202-F208 AromaticContact CE1-CZ 3.7Å; H202-F208 AromaticContact ND1-CD2 3.41Å; H202-F208 WeakPolarHBondContact ND1-CD2 2.98Å; H202-F208 AromaticContact ND1-CE2 3.62Å; H202-F208 AromaticContact NE2-CE2 3.49Å; H202-F208 WeakPolarHBondContact NE2-CE2 3.39Å; H202-F208 AromaticContact NE2-CZ 3.88Å; F208-F214 HydrophobicContact CD1-CB 4.37Å; F208-H217 AromaticContact CE1-CE1 3.73Å; F208-H217 AromaticContact CE1-ND1 3.41Å; F208-H217 WeakPolarHBondContact CE1-ND1 3.34Å; F208-H217 AromaticContact CZ-CE1 3.64Å; F208-H217 AromaticContact CZ-ND1 3.7Å; F208-H230 HydrophobicContact CE2-CB 4.08Å; F208-H230 HydrophobicContact CZ-CB 3.69Å; F208-D232 HydrophobicContact CB-CB 4.19Å; F208-D232 WeakPolarHBondContact CB-OD2 3.31Å; F208-D232 HydrophobicContact CD1-CB 3.61Å; F208-D232 HydrophobicContact CD2-CB 4.13Å; F208-D232 HydrophobicContact CE1-CB 3.97Å; F208-D232 HydrophobicContact CE2-CB 4.43Å; F208-D232 HydrophobicContact CG-CB 3.71Å; F208-D232 HydrophobicContact CZ-CB 4.37Å
209	D	75.2	Confident	77.8	Confident	78 Å²	78	28.2 Å²	28.2	42%	0.417	17%	0.166	S	C	.	.			trans	-90.1	-13.9	-177.6	50.7	-21.5	0	0	0	114.1	F214	D209-F214 HydrophobicContact CB-CD2 4.34Å; D209-F214 VanDerWaalsContact OD1-CD2 3.31Å; D209-F214 WeakPolarHBondContact OD1-CD2 3.37Å; D209-F214 PolarHBondContact OD1-N 2.76Å; D209-F214 VanDerWaalsContact OD1-N 3.12Å
210	G	81.9	Confident	78.1	Confident	6 Å²	6	28.5 Å²	28.5	6%	0.062	16%	0.164	C	C	.	.	S	Bend	trans	105.3	-152.9	-176.8	0	0	0	0	0	110.5	G212 D232 D234	G210-G212 PolarHBondContact O-N 3.1Å; G210-D232 PolarHBondContact N-OD2 3.07Å; G210-D234 WeakPolarHBondContact CA-OD2 3.34Å
211	E	85.8	Confident	78.6	Confident	157 Å²	157	28.7 Å²	28.7	73%	0.734	17%	0.165	S	C	*	.	S	Bend	trans	-65.2	123.7	179.2	-176	175.9	176.2	0	0	112.4
212	G	82.1	Confident	78.8	Confident	30 Å²	30	29.7 Å²	29.7	31%	0.309	18%	0.176	S	C	.	.	S	Bend	trans	85.6	156.5	-177.1	0	0	0	0	0	112.3	G210 E235	G210-G212 PolarHBondContact O-N 3.1Å; G212-E235 VanDerWaalsContact C-OE1 3.25Å; G212-E235 WeakPolarHBondContact CA-OE1 3.47Å; G212-E235 PolarHBondContact N-OE1 3.24Å; G212-E235 PolarHBondContact N-OE2 2.8Å
213	G	84.5	Confident	78.8	Confident	13 Å²	13	35.1 Å²	35.1	13%	0.134	21%	0.213	C	C	.	.	S	Bend	trans	92	-110.6	-178.4	0	0	0	0	0	111.8	P110 R111 L215	P110-G213 WeakPolarHBondContact CA-O 3.35Å; R111-G213 PolarHBondContact N-O 3.18Å; G213-L215 PolarHBondContact O-N 3.28Å
214	F	84	Confident	79.1	Confident	32 Å²	32	37.9 Å²	37.9	14%	0.14	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-79.5	110.2	-177.8	-56.9	-55.2	0	0	0	111.3	Y61 G113 F208 D209	Y61-F214 HydrophobicContact CD1-CE1 4.2Å; Y61-F214 AromaticContact CE1-CD1 3.73Å; Y61-F214 HydrophobicContact CE1-CD1 3.73Å; Y61-F214 AromaticContact CE1-CE1 3.31Å; Y61-F214 HydrophobicContact CE1-CE1 3.31Å; Y61-F214 HydrophobicContact CE1-CZ 4.48Å; Y61-F214 AromaticContact CE2-CE1 3.76Å; Y61-F214 HydrophobicContact CE2-CE1 3.76Å; Y61-F214 HydrophobicContact CE2-CZ 4.36Å; Y61-F214 AromaticContact CZ-CD1 3.52Å; Y61-F214 AromaticContact CZ-CE1 3.05Å; Y61-F214 WeakPolarHBondContact OH-CD1 3.36Å; Y61-F214 WeakPolarHBondContact OH-CE1 3.38Å; G113-F214 VanDerWaalsContact CA-CD1 3.47Å; F208-F214 HydrophobicContact CD1-CB 4.37Å; D209-F214 HydrophobicContact CB-CD2 4.34Å; D209-F214 VanDerWaalsContact OD1-CD2 3.31Å; D209-F214 WeakPolarHBondContact OD1-CD2 3.37Å; D209-F214 PolarHBondContact OD1-N 2.76Å; D209-F214 VanDerWaalsContact OD1-N 3.12Å
215	L	91.5	Very high	79.2	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	25%	0.253	C	S	.	.			trans	-72.7	-42.7	177.2	-62.2	-169.3	0	0	0	112.7	P110 R111 G213 D232 E235 W237 N247 V252 Y277	P110-L215 HydrophobicContact CB-CD1 3.98Å; P110-L215 HydrophobicContact CB-CD2 3.6Å; P110-L215 HydrophobicContact CB-CG 3.84Å; R111-L215 PolarHBondContact O-N 3.37Å; G213-L215 PolarHBondContact O-N 3.28Å; L215-D232 PolarHBondContact O-N 2.81Å; L215-E235 HydrophobicContact CD2-CG 3.82Å; L215-E235 WeakPolarHBondContact CD2-OE2 3.46Å; L215-W237 HydrophobicContact CB-CH2 4.19Å; L215-W237 WeakPolarHBondContact O-CH2 3.21Å; L215-W237 VanDerWaalsContact O-CZ2 3.28Å; L215-W237 WeakPolarHBondContact O-CZ2 3.05Å; L215-N247 HydrophobicContact CD1-CB 4.11Å; L215-N247 HydrophobicContact CD2-CB 4.31Å; L215-N247 VanDerWaalsContact CD2-CG 3.49Å; L215-N247 WeakPolarHBondContact CD2-ND2 3.42Å; L215-V252 HydrophobicContact CB-CG1 4.27Å; L215-V252 HydrophobicContact CD1-CG2 3.71Å; L215-Y277 HydrophobicContact CD1-CD2 3.9Å; L215-Y277 HydrophobicContact CD1-CG 3.78Å
216	A	93.5	Very high	80.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	169.6	-173.8	0	0	0	0	0	109.3	G113 H230 F231 V252 E256	G113-A216 PolarHBondContact N-O 3.16Å; A216-H230 CarbonylContact C-O 3.56Å; A216-H230 WeakPolarHBondContact CA-O 3.11Å; A216-H230 WeakPolarHBondContact CB-O 3.3Å; A216-F231 HydrophobicContact CB-CD1 3.77Å; A216-F231 HydrophobicContact CB-CE1 4.24Å; A216-F231 HydrophobicContact CB-CG 4.27Å; A216-V252 HydrophobicContact CB-CG1 3.8Å; A216-E256 HydrophobicContact CB-CG 3.53Å
217	H	88.9	Confident	80.9	Confident	8 Å²	8	36.3 Å²	36.3	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	153.9	164.8	59.6	-97.8	0	0	0	110.6	V114 H202 D204 S206 F208 H230 E256	V114-H217 HydrophobicContact CG2-CB 4.17Å; H202-H217 AromaticContact CE1-CE1 3.52Å; H202-H217 AromaticContact NE2-CE1 3.25Å; H202-H217 PolarHBondContact NE2-CE1 3.41Å; H202-H217 VanDerWaalsContact NE2-CE1 3.25Å; H202-H217 AromaticContact NE2-NE2 3.53Å; D204-H217 IonicContact OD2-CD2 3.56Å; D204-H217 IonicContact OD2-CE1 3.04Å; D204-H217 IonicContact OD2-NE2 3.8Å; D204-H217 PolarHBondContact OD2-NE2 3.19Å; S206-H217 PolarHBondContact O-CE1 3.47Å; S206-H217 VanDerWaalsContact O-CE1 3.31Å; F208-H217 AromaticContact CE1-CE1 3.73Å; F208-H217 AromaticContact CE1-ND1 3.41Å; F208-H217 WeakPolarHBondContact CE1-ND1 3.34Å; F208-H217 AromaticContact CZ-CE1 3.64Å; F208-H217 AromaticContact CZ-ND1 3.7Å; H217-H230 AromaticContact CD2-ND1 3.96Å; H217-H230 AromaticContact CE1-ND1 3.92Å; H217-H230 PolarHBondContact N-O 3.39Å; H217-H230 AromaticContact NE2-CG 3.8Å; H217-H230 AromaticContact NE2-ND1 3.18Å; H217-H230 PolarHBondContact NE2-ND1 2.65Å; H217-H230 VanDerWaalsContact NE2-ND1 3.18Å; H217-H230 PolarHBondContact O-N 3.41Å; H217-E256 WeakPolarHBondContact CA-OE2 3.44Å
218	A	90.1	Very high	81.8	Confident	6 Å²	6	34.5 Å²	34.5	5%	0.05	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.7	172.4	0	0	0	0	0	112.4	D228 T229 E256 H259 A260	A218-D228 CarbonylContact C-O 3.58Å; A218-D228 WeakPolarHBondContact CA-O 3.48Å; A218-T229 HydrophobicContact CB-CG2 4.1Å; A218-T229 WeakPolarHBondContact CB-OG1 3.5Å; A218-E256 HydrophobicContact CB-CB 4.09Å; A218-E256 VanDerWaalsContact CB-O 3.25Å; A218-E256 WeakPolarHBondContact CB-O 3.47Å; A218-E256 PolarHBondContact N-OE2 3.2Å; A218-E256 VanDerWaalsContact N-OE2 3.09Å; A218-H259 HydrophobicContact CB-CB 3.94Å; A218-A260 HydrophobicContact CB-CB 4.38Å
219	Y	83.1	Confident	82.5	Confident	46 Å²	46	34 Å²	34	18%	0.18	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-81.3	138.5	172	-74.9	-82.3	0	0	0	110.7	D204 I225 G227 D228 H230	D204-Y219 HydrophobicContact CB-CE2 4.27Å; D204-Y219 WeakPolarHBondContact CB-OH 3.1Å; D204-Y219 PolarHBondContact OD2-OH 2.95Å; Y219-I225 WeakPolarHBondContact CB-O 3.38Å; Y219-I225 HydrophobicContact CD1-CD1 3.92Å; Y219-I225 HydrophobicContact CD1-CG1 4.28Å; Y219-I225 HydrophobicContact CD2-CD1 4.36Å; Y219-I225 HydrophobicContact CE1-CD1 3.7Å; Y219-I225 HydrophobicContact CE2-CD1 4.17Å; Y219-I225 HydrophobicContact CG-CD1 4.27Å; Y219-I225 HydrophobicContact CG-CG1 4.33Å; Y219-G227 WeakPolarHBondContact O-CA 3.28Å; Y219-G227 PolarHBondContact O-N 2.89Å; Y219-D228 HydrophobicContact CD2-CB 4.33Å; Y219-D228 PolarHBondContact N-O 3.28Å; Y219-H230 AromaticContact CE2-CE1 3.8Å
220	F	85.9	Confident	83.2	Confident	33 Å²	33	30.7 Å²	30.7	15%	0.145	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-62.5	157.8	172.8	-66.1	-68.2	0	0	0	112.4	V114 T132 Q134 G222 G226 G227 H259 L263 E264	V114-F220 HydrophobicContact CG1-CE2 4.13Å; V114-F220 HydrophobicContact CG1-CZ 4.01Å; T132-F220 HydrophobicContact CG2-CB 4.5Å; T132-F220 HydrophobicContact CG2-CD1 3.32Å; T132-F220 HydrophobicContact CG2-CD2 3.88Å; T132-F220 HydrophobicContact CG2-CE1 3.23Å; T132-F220 HydrophobicContact CG2-CE2 3.81Å; T132-F220 HydrophobicContact CG2-CG 3.64Å; T132-F220 HydrophobicContact CG2-CZ 3.49Å; T132-F220 VanDerWaalsContact CG2-CZ 3.49Å; Q134-F220 HydrophobicContact CB-CB 4.41Å; F220-G222 PolarHBondContact O-N 3.37Å; F220-G226 CarbonylContact O-C 3.6Å; F220-G226 VanDerWaalsContact O-CA 3.28Å; F220-G226 WeakPolarHBondContact O-CA 3.43Å; F220-G227 PolarHBondContact O-N 3.38Å; F220-H259 VanDerWaalsContact CD1-O 3.27Å; F220-H259 WeakPolarHBondContact CD1-O 3.29Å; F220-H259 HydrophobicContact CE1-CB 4.31Å; F220-H259 AromaticContact CE1-ND1 3.96Å; F220-L263 WeakPolarHBondContact CE1-O 3.47Å; F220-E264 HydrophobicContact CE1-CG 4.17Å; F220-E264 HydrophobicContact CZ-CG 4.01Å
221	P	85.6	Confident	83.9	Confident	7 Å²	7	30.5 Å²	30.5	5%	0.045	19%	0.191	C	C	.	.	S	Bend	trans	-49.3	130.1	179.6	-25.8	28.2	0	0	0	113.7	Q134 W136 A260	Q134-P221 HydrophobicContact CB-CB 4.45Å; Q134-P221 PolarHBondContact NE2-O 2.83Å; W136-P221 HydrophobicContact CD2-CB 4.03Å; W136-P221 HydrophobicContact CG-CB 4.19Å; W136-P221 HydrophobicContact CG-CG 4.5Å; W136-P221 HydrophobicContact CZ2-CB 4.26Å; P221-A260 WeakPolarHBondContact CD-O 3.43Å; P221-A260 VanDerWaalsContact CG-O 3.29Å; P221-A260 WeakPolarHBondContact CG-O 3.38Å
222	G	73.2	Confident	84.2	Confident	23 Å²	23	23 Å²	23	24%	0.237	16%	0.156	C	C	.	.			trans	176.1	171.6	-179.7	0	0	0	0	0	113.4	F220 G226	F220-G222 PolarHBondContact O-N 3.37Å; G222-G226 WeakPolarHBondContact O-CA 3.37Å
223	P	67.7	Low	84.7	Confident	132 Å²	132	23 Å²	23	86%	0.857	15%	0.152	S	C	*	.	S	Bend	trans	-72.9	155.3	174.3	31.8	-34.8	0	0	0	111.7	I225	P223-I225 PolarHBondContact O-N 2.97Å
224	G	68.2	Low	85	Confident	62 Å²	62	25 Å²	25	64%	0.639	16%	0.159	S	C	*	.	S	Bend	trans	78.3	-118.1	179.7	0	0	0	0	0	110.5	G226	G224-G226 PolarHBondContact O-N 3.48Å
225	I	68.1	Low	85.5	Confident	55 Å²	55	23.6 Å²	23.6	28%	0.282	15%	0.153	S	C	.	.	S	Bend	trans	-80.1	4.5	179.6	65.4	172.9	0	0	0	113.7	Y219 P223 G227 D228	Y219-I225 WeakPolarHBondContact CB-O 3.38Å; Y219-I225 HydrophobicContact CD1-CD1 3.92Å; Y219-I225 HydrophobicContact CD1-CG1 4.28Å; Y219-I225 HydrophobicContact CD2-CD1 4.36Å; Y219-I225 HydrophobicContact CE1-CD1 3.7Å; Y219-I225 HydrophobicContact CE2-CD1 4.17Å; Y219-I225 HydrophobicContact CG-CD1 4.27Å; Y219-I225 HydrophobicContact CG-CG1 4.33Å; P223-I225 PolarHBondContact O-N 2.97Å; I225-G227 PolarHBondContact O-N 3.47Å; I225-D228 WeakPolarHBondContact CA-OD2 3.44Å; I225-D228 WeakPolarHBondContact O-CB 3.47Å; I225-D228 PolarHBondContact O-N 3.4Å; I225-D228 VanDerWaalsContact O-N 3.16Å
226	G	76.9	Confident	85.5	Confident	7 Å²	7	25.7 Å²	25.7	7%	0.072	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	126.5	-176.7	0	0	0	0	0	110.6	W136 F220 G222 G224	W136-G226 WeakPolarHBondContact CH2-O 3.5Å; F220-G226 CarbonylContact O-C 3.6Å; F220-G226 VanDerWaalsContact O-CA 3.28Å; F220-G226 WeakPolarHBondContact O-CA 3.43Å; G222-G226 WeakPolarHBondContact O-CA 3.37Å; G224-G226 PolarHBondContact O-N 3.48Å
227	G	84.9	Confident	85.5	Confident	0 Å²	0	26 Å²	26	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-22.5	-172.1	0	0	0	0	0	114.5	I193 Y219 F220 I225 T229 A260	I193-G227 VanDerWaalsContact CG2-O 3.32Å; I193-G227 WeakPolarHBondContact CG2-O 3.5Å; Y219-G227 WeakPolarHBondContact O-CA 3.28Å; Y219-G227 PolarHBondContact O-N 2.89Å; F220-G227 PolarHBondContact O-N 3.38Å; I225-G227 PolarHBondContact O-N 3.47Å; G227-T229 PolarHBondContact O-N 2.95Å; G227-T229 PolarHBondContact O-OG1 3.23Å; G227-A260 WeakPolarHBondContact O-CB 3.15Å
228	D	87.5	Confident	85.7	Confident	17 Å²	17	27.2 Å²	27.2	9%	0.091	18%	0.176	C	C	.	.			trans	-58.1	134.7	-177.2	-71.3	-6.5	0	0	0	110.7	M194 A218 Y219 I225	M194-D228 VanDerWaalsContact CB-OD1 3.24Å; M194-D228 WeakPolarHBondContact CB-OD1 3.15Å; M194-D228 PolarHBondContact N-OD1 3.39Å; M194-D228 CarbonylContact O-C 3.58Å; M194-D228 VanDerWaalsContact O-CA 3.31Å; M194-D228 WeakPolarHBondContact O-CA 3.1Å; A218-D228 CarbonylContact C-O 3.58Å; A218-D228 WeakPolarHBondContact CA-O 3.48Å; Y219-D228 HydrophobicContact CD2-CB 4.33Å; Y219-D228 PolarHBondContact N-O 3.28Å; I225-D228 WeakPolarHBondContact CA-OD2 3.44Å; I225-D228 WeakPolarHBondContact O-CB 3.47Å; I225-D228 PolarHBondContact O-N 3.4Å; I225-D228 VanDerWaalsContact O-N 3.16Å
229	T	93.6	Very high	85.7	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120	-174	-59.1	0	0	0	0	109.5	M194 I195 F196 A218 G227 F231 E256	M194-T229 PolarHBondContact O-N 3.28Å; I195-T229 WeakPolarHBondContact CA-O 3.34Å; F196-T229 PolarHBondContact N-O 3.39Å; F196-T229 VanDerWaalsContact N-O 3.1Å; A218-T229 HydrophobicContact CB-CG2 4.1Å; A218-T229 WeakPolarHBondContact CB-OG1 3.5Å; G227-T229 PolarHBondContact O-N 2.95Å; G227-T229 PolarHBondContact O-OG1 3.23Å; T229-F231 HydrophobicContact CG2-CD2 4.24Å; T229-F231 HydrophobicContact CG2-CE2 3.56Å; T229-F231 HydrophobicContact CG2-CZ 3.87Å; T229-E256 HydrophobicContact CG2-CB 3.51Å; T229-E256 HydrophobicContact CG2-CG 4.15Å
230	H	90.4	Very high	85.6	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.037	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.7	-176	-51.6	165.4	0	0	0	109.3	F196 H202 D204 F208 A216 H217 Y219	F196-H230 AromaticContact CD1-CD2 3.6Å; F196-H230 AromaticContact CD1-NE2 3.94Å; F196-H230 AromaticContact CE1-CD2 3.05Å; F196-H230 WeakPolarHBondContact CE1-CD2 3.24Å; F196-H230 AromaticContact CE1-CE1 3.74Å; F196-H230 AromaticContact CE1-CG 3.88Å; F196-H230 AromaticContact CE1-NE2 2.98Å; F196-H230 WeakPolarHBondContact CE1-NE2 3.27Å; F196-H230 HydrophobicContact CE2-CB 4.4Å; F196-H230 AromaticContact CE2-CD2 3.89Å; F196-H230 AromaticContact CE2-CG 3.89Å; F196-H230 HydrophobicContact CZ-CB 4.5Å; F196-H230 AromaticContact CZ-CD2 3.21Å; F196-H230 WeakPolarHBondContact CZ-CD2 3.32Å; F196-H230 AromaticContact CZ-CE1 3.42Å; F196-H230 VanDerWaalsContact CZ-CE1 3.42Å; F196-H230 WeakPolarHBondContact CZ-CE1 3.5Å; F196-H230 AromaticContact CZ-CG 3.54Å; F196-H230 AromaticContact CZ-ND1 3.62Å; F196-H230 AromaticContact CZ-NE2 3.16Å; F196-H230 WeakPolarHBondContact CZ-NE2 3.43Å; F196-H230 CarbonylContact O-C 3.54Å; F196-H230 VanDerWaalsContact O-CA 3.31Å; F196-H230 WeakPolarHBondContact O-CA 3.34Å; H202-H230 AromaticContact CD2-CE1 4Å; H202-H230 AromaticContact CD2-CG 3.91Å; H202-H230 AromaticContact CD2-ND1 3.25Å; H202-H230 PolarHBondContact CD2-ND1 2.81Å; H202-H230 AromaticContact NE2-CG 3.71Å; H202-H230 AromaticContact NE2-ND1 3.04Å; H202-H230 PolarHBondContact NE2-ND1 2.87Å; D204-H230 IonicContact OD2-CE1 2.94Å; D204-H230 PolarHBondContact OD2-CE1 3.12Å; D204-H230 IonicContact OD2-ND1 2.76Å; D204-H230 PolarHBondContact OD2-ND1 2.71Å; F208-H230 HydrophobicContact CE2-CB 4.08Å; F208-H230 HydrophobicContact CZ-CB 3.69Å; A216-H230 CarbonylContact C-O 3.56Å; A216-H230 WeakPolarHBondContact CA-O 3.11Å; A216-H230 WeakPolarHBondContact CB-O 3.3Å; H217-H230 AromaticContact CD2-ND1 3.96Å; H217-H230 AromaticContact CE1-ND1 3.92Å; H217-H230 PolarHBondContact N-O 3.39Å; H217-H230 AromaticContact NE2-CG 3.8Å; H217-H230 AromaticContact NE2-ND1 3.18Å; H217-H230 PolarHBondContact NE2-ND1 2.65Å; H217-H230 VanDerWaalsContact NE2-ND1 3.18Å; H217-H230 PolarHBondContact O-N 3.41Å; Y219-H230 AromaticContact CE2-CE1 3.8Å
231	F	95.9	Very high	84.8	Confident	1 Å²	1	30 Å²	30	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.1	175.8	-66.3	-92.7	0	0	0	109.7	I161 I195 F196 F197 A198 A216 T229 S233 W237 L249 V252 A253 E256	I161-F231 HydrophobicContact CD1-CE2 4.04Å; I161-F231 HydrophobicContact CD1-CZ 3.86Å; I195-F231 HydrophobicContact CG2-CD2 4.02Å; I195-F231 HydrophobicContact CG2-CE2 3.65Å; F196-F231 PolarHBondContact O-N 2.62Å; F197-F231 VanDerWaalsContact CA-O 3.27Å; F197-F231 WeakPolarHBondContact CA-O 3.38Å; F197-F231 HydrophobicContact CD1-CB 3.4Å; F197-F231 VanDerWaalsContact CD1-CB 3.4Å; F197-F231 HydrophobicContact CD1-CG 4.2Å; F197-F231 HydrophobicContact CE1-CB 3.49Å; F197-F231 VanDerWaalsContact CE1-CB 3.49Å; F197-F231 HydrophobicContact CE1-CD1 4.41Å; F197-F231 HydrophobicContact CE1-CD2 4.21Å; F197-F231 AromaticContact CE1-CG 3.81Å; F197-F231 HydrophobicContact CE1-CG 3.81Å; F197-F231 HydrophobicContact CE2-CD2 4.42Å; F197-F231 HydrophobicContact CG-CB 4.07Å; F197-F231 HydrophobicContact CZ-CB 4.23Å; F197-F231 HydrophobicContact CZ-CD2 4.09Å; F197-F231 HydrophobicContact CZ-CG 4.14Å; A198-F231 PolarHBondContact N-O 2.7Å; A216-F231 HydrophobicContact CB-CD1 3.77Å; A216-F231 HydrophobicContact CB-CE1 4.24Å; A216-F231 HydrophobicContact CB-CG 4.27Å; T229-F231 HydrophobicContact CG2-CD2 4.24Å; T229-F231 HydrophobicContact CG2-CE2 3.56Å; T229-F231 HydrophobicContact CG2-CZ 3.87Å; F231-S233 PolarHBondContact O-N 3.18Å; F231-W237 HydrophobicContact CB-CH2 4.49Å; F231-W237 HydrophobicContact CB-CZ2 3.93Å; F231-W237 AromaticContact CD1-CH2 3.75Å; F231-W237 HydrophobicContact CD1-CH2 3.75Å; F231-W237 HydrophobicContact CD1-CZ2 4.04Å; F231-W237 HydrophobicContact CD1-CZ3 4.32Å; F231-W237 HydrophobicContact CG-CZ2 4.49Å; F231-L249 HydrophobicContact CD1-CD1 3.89Å; F231-L249 HydrophobicContact CE1-CD1 3.83Å; F231-L249 HydrophobicContact CZ-CD1 4.43Å; F231-V252 HydrophobicContact CD1-CG1 4.25Å; F231-V252 HydrophobicContact CE1-CB 4.45Å; F231-V252 HydrophobicContact CE1-CG1 3.96Å; F231-A253 HydrophobicContact CE1-CB 4.24Å; F231-A253 HydrophobicContact CZ-CB 3.9Å; F231-E256 HydrophobicContact CE1-CG 4.43Å
232	D	92.6	Very high	83.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	114.4	175.3	-171.2	-11.4	0	0	0	109.8	A198 F208 G210 L215 D234 E235 W237	A198-D232 WeakPolarHBondContact O-CA 3.32Å; F208-D232 HydrophobicContact CB-CB 4.19Å; F208-D232 WeakPolarHBondContact CB-OD2 3.31Å; F208-D232 HydrophobicContact CD1-CB 3.61Å; F208-D232 HydrophobicContact CD2-CB 4.13Å; F208-D232 HydrophobicContact CE1-CB 3.97Å; F208-D232 HydrophobicContact CE2-CB 4.43Å; F208-D232 HydrophobicContact CG-CB 3.71Å; F208-D232 HydrophobicContact CZ-CB 4.37Å; G210-D232 PolarHBondContact N-OD2 3.07Å; L215-D232 PolarHBondContact O-N 2.81Å; D232-D234 PolarHBondContact O-N 2.98Å; D232-D234 WeakPolarHBondContact OD1-CB 3.47Å; D232-D234 PolarHBondContact OD1-N 2.87Å; D232-E235 HydrophobicContact CB-CG 3.83Å; D232-E235 PolarHBondContact O-N 3.38Å; D232-W237 WeakPolarHBondContact O-CZ2 3.42Å; D232-W237 PolarHBondContact O-NE1 3.25Å
233	S	92.9	Very high	83.3	Confident	31 Å²	31	37.9 Å²	37.9	22%	0.217	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.1	177.5	37.1	0	0	0	0	113.9	K151 A198 S199 F231	K151-S233 PolarHBondContact NZ-O 3.04Å; A198-S233 WeakPolarHBondContact CA-OG 3.35Å; A198-S233 PolarHBondContact O-N 2.84Å; A198-S233 PolarHBondContact O-OG 2.76Å; A198-S233 VanDerWaalsContact O-OG 3.11Å; S199-S233 PolarHBondContact N-OG 3.18Å; S199-S233 PolarHBondContact OG-OG 3.34Å; F231-S233 PolarHBondContact O-N 3.18Å
234	D	91.3	Very high	83.3	Confident	53 Å²	53	37 Å²	37	28%	0.283	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-20.4	-178.9	-64.7	-15.5	0	0	0	112.2	K151 S199 G210 D232	K151-D234 PolarHBondContact NZ-O 2.96Å; S199-D234 WeakPolarHBondContact CB-OD1 3.37Å; S199-D234 VanDerWaalsContact OG-CG 3.24Å; S199-D234 PolarHBondContact OG-OD1 3.16Å; G210-D234 WeakPolarHBondContact CA-OD2 3.34Å; D232-D234 PolarHBondContact O-N 2.98Å; D232-D234 WeakPolarHBondContact OD1-CB 3.47Å; D232-D234 PolarHBondContact OD1-N 2.87Å
235	E	93.4	Very high	83.7	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.019	23%	0.233	C	C	.	.	S	Bend	trans	-69.9	144.9	-178.5	-70.6	-69.1	165.4	0	0	114.9	K151 G212 L215 D232 W237 N247	K151-E235 VanDerWaalsContact CD-O 3.25Å; K151-E235 WeakPolarHBondContact CD-O 3.41Å; K151-E235 WeakPolarHBondContact CE-O 3.33Å; K151-E235 PolarHBondContact NZ-O 2.97Å; G212-E235 VanDerWaalsContact C-OE1 3.25Å; G212-E235 WeakPolarHBondContact CA-OE1 3.47Å; G212-E235 PolarHBondContact N-OE1 3.24Å; G212-E235 PolarHBondContact N-OE2 2.8Å; L215-E235 HydrophobicContact CD2-CG 3.82Å; L215-E235 WeakPolarHBondContact CD2-OE2 3.46Å; D232-E235 HydrophobicContact CB-CG 3.83Å; D232-E235 PolarHBondContact O-N 3.38Å; E235-W237 VanDerWaalsContact C-N 3.26Å; E235-W237 HydrophobicContact CB-CD2 4.39Å; E235-W237 HydrophobicContact CB-CZ2 3.88Å; E235-W237 HydrophobicContact CG-CZ2 4.35Å; E235-W237 PolarHBondContact O-N 2.65Å; E235-N247 PolarHBondContact OE2-ND2 3.32Å
236	P	91.7	Very high	84.6	Confident	46 Å²	46	37.9 Å²	37.9	30%	0.299	23%	0.232	S	C	.	.			trans	-76.1	74.6	179.8	32.5	-34.6	0	0	0	111.5	G246 N247	P236-G246 WeakPolarHBondContact O-CA 3.31Å; P236-N247 PolarHBondContact O-N 3.14Å
237	W	94.3	Very high	85.3	Confident	6 Å²	6	38 Å²	38	2%	0.023	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.5	178.3	-62.3	108.5	0	0	0	112.8	T149 K151 V152 L215 F231 D232 E235 N247 L249 V252	T149-W237 HydrophobicContact CG2-CB 4.1Å; T149-W237 HydrophobicContact CG2-CG 4.18Å; K151-W237 HydrophobicContact CB-CB 4.46Å; V152-W237 HydrophobicContact CG2-CB 3.88Å; L215-W237 HydrophobicContact CB-CH2 4.19Å; L215-W237 WeakPolarHBondContact O-CH2 3.21Å; L215-W237 VanDerWaalsContact O-CZ2 3.28Å; L215-W237 WeakPolarHBondContact O-CZ2 3.05Å; F231-W237 HydrophobicContact CB-CH2 4.49Å; F231-W237 HydrophobicContact CB-CZ2 3.93Å; F231-W237 AromaticContact CD1-CH2 3.75Å; F231-W237 HydrophobicContact CD1-CH2 3.75Å; F231-W237 HydrophobicContact CD1-CZ2 4.04Å; F231-W237 HydrophobicContact CD1-CZ3 4.32Å; F231-W237 HydrophobicContact CG-CZ2 4.49Å; D232-W237 WeakPolarHBondContact O-CZ2 3.42Å; D232-W237 PolarHBondContact O-NE1 3.25Å; E235-W237 VanDerWaalsContact C-N 3.26Å; E235-W237 HydrophobicContact CB-CD2 4.39Å; E235-W237 HydrophobicContact CB-CZ2 3.88Å; E235-W237 HydrophobicContact CG-CZ2 4.35Å; E235-W237 PolarHBondContact O-N 2.65Å; W237-N247 WeakPolarHBondContact CA-O 3.48Å; W237-N247 HydrophobicContact CE3-CB 4.22Å; W237-N247 HydrophobicContact CZ3-CB 4.16Å; W237-L249 HydrophobicContact CD2-CD1 4.28Å; W237-L249 HydrophobicContact CE3-CB 4.02Å; W237-L249 HydrophobicContact CE3-CD1 3.9Å; W237-L249 HydrophobicContact CZ3-CD1 4.13Å; W237-V252 HydrophobicContact CH2-CB 4.35Å; W237-V252 HydrophobicContact CH2-CG1 4.01Å; W237-V252 HydrophobicContact CH2-CG2 4.44Å; W237-V252 HydrophobicContact CZ3-CB 3.93Å; W237-V252 HydrophobicContact CZ3-CG1 4.11Å; W237-V252 HydrophobicContact CZ3-CG2 3.89Å
238	T	92.9	Very high	85.7	Confident	34 Å²	34	38 Å²	38	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	175.7	176.3	64.8	0	0	0	0	111.5	D245 N247 D248 L249	T238-D245 WeakPolarHBondContact CG2-O 3.16Å; T238-N247 PolarHBondContact N-O 3.26Å; T238-D248 WeakPolarHBondContact O-CA 2.98Å; T238-L249 PolarHBondContact O-N 2.8Å
239	L	90.5	Very high	86.1	Confident	64 Å²	64	37.2 Å²	37.2	34%	0.335	23%	0.226	S	C	.	.	S	Bend	trans	-137.1	133.6	172.8	-69.8	179.7	0	0	0	111.3	V152 D156 A160 N241 L249 F250	V152-L239 HydrophobicContact CG1-CD1 3.38Å; V152-L239 HydrophobicContact CG1-CG 3.69Å; V152-L239 HydrophobicContact CG2-CG 4.45Å; D156-L239 HydrophobicContact CB-CD1 3.7Å; A160-L239 HydrophobicContact CB-CD1 4.47Å; A160-L239 HydrophobicContact CB-CD2 3.62Å; L239-N241 PolarHBondContact O-N 2.96Å; L239-N241 VanDerWaalsContact O-N 3.14Å; L239-L249 HydrophobicContact CD2-CB 3.98Å; L239-F250 HydrophobicContact CD2-CB 4.43Å
240	G	79	Confident	86.3	Confident	41 Å²	41	38 Å²	38	42%	0.423	23%	0.23	S	C	.	.	S	Bend	trans	60.3	23.8	171.7	0	0	0	0	0	114.1	A242 D248	G240-A242 PolarHBondContact O-N 3.13Å; G240-A242 VanDerWaalsContact O-N 3.09Å; G240-D248 PolarHBondContact N-OD2 2.84Å
241	N	69.9	Low	86.5	Confident	39 Å²	39	37.7 Å²	37.7	21%	0.209	23%	0.228	C	C	.	.			trans	-72.5	106.9	-166.5	-163.9	3.3	0	0	0	111.6	L239 N243 H244 D245	L239-N241 PolarHBondContact O-N 2.96Å; L239-N241 VanDerWaalsContact O-N 3.14Å; N241-N243 PolarHBondContact O-N 3.01Å; N241-N243 PolarHBondContact OD1-N 3.47Å; N241-H244 PolarHBondContact O-N 2.96Å; N241-D245 PolarHBondContact ND2-N 3.03Å; N241-D245 PolarHBondContact ND2-O 3.48Å
242	A	59.4	Low	86.6	Confident	78 Å²	78	37.9 Å²	37.9	65%	0.645	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.1	176.5	0	0	0	0	0	113.2	G240 H244	G240-A242 PolarHBondContact O-N 3.13Å; G240-A242 VanDerWaalsContact O-N 3.09Å; A242-H244 VanDerWaalsContact C-N 3.33Å
243	N	67.7	Low	86.8	Confident	117 Å²	117	37.9 Å²	37.9	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-6.2	179.6	-65.5	-5.8	0	0	0	113	N241 D245	N241-N243 PolarHBondContact O-N 3.01Å; N241-N243 PolarHBondContact OD1-N 3.47Å; N243-D245 PolarHBondContact O-N 2.65Å; N243-D245 VanDerWaalsContact O-N 3.1Å
244	H	68.5	Low	87	Confident	114 Å²	114	36.4 Å²	36.4	53%	0.528	22%	0.219	S	C	.	.			trans	57	18.6	-175.7	-46.5	-61.7	0	0	0	115	N241 A242 G246 Y279	N241-H244 PolarHBondContact O-N 2.96Å; A242-H244 VanDerWaalsContact C-N 3.33Å; H244-G246 PolarHBondContact O-N 3.04Å; H244-Y279 AromaticContact CE1-CD1 3.14Å; H244-Y279 WeakPolarHBondContact CE1-CD1 3.19Å; H244-Y279 AromaticContact CE1-CE1 3.37Å; H244-Y279 WeakPolarHBondContact CE1-CE1 3.39Å; H244-Y279 AromaticContact CE1-CG 3.67Å; H244-Y279 AromaticContact ND1-CD1 3.21Å; H244-Y279 WeakPolarHBondContact ND1-CD1 3.2Å; H244-Y279 AromaticContact ND1-CD2 3.63Å; H244-Y279 AromaticContact ND1-CE1 3.64Å; H244-Y279 AromaticContact ND1-CG 3.18Å
245	D	77.2	Confident	87.3	Confident	110 Å²	110	34.5 Å²	34.5	59%	0.588	21%	0.209	S	C	*	.			trans	-79.9	107.2	175	-64.1	-37.5	0	0	0	109.3	T238 N241 N243	T238-D245 WeakPolarHBondContact CG2-O 3.16Å; N241-D245 PolarHBondContact ND2-N 3.03Å; N241-D245 PolarHBondContact ND2-O 3.48Å; N243-D245 PolarHBondContact O-N 2.65Å; N243-D245 VanDerWaalsContact O-N 3.1Å
246	G	86.2	Confident	87.5	Confident	25 Å²	25	34.3 Å²	34.3	26%	0.258	21%	0.208	S	C	.	.	S	Bend	trans	95	-171.4	178.8	0	0	0	0	0	114.8	P236 H244	P236-G246 WeakPolarHBondContact O-CA 3.31Å; H244-G246 PolarHBondContact O-N 3.04Å
247	N	91.6	Very high	87.8	Confident	9 Å²	9	32.2 Å²	32.2	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.7	-171.5	-54.6	-55.1	0	0	0	110.1	L215 E235 P236 W237 T238 L249	L215-N247 HydrophobicContact CD1-CB 4.11Å; L215-N247 HydrophobicContact CD2-CB 4.31Å; L215-N247 VanDerWaalsContact CD2-CG 3.49Å; L215-N247 WeakPolarHBondContact CD2-ND2 3.42Å; E235-N247 PolarHBondContact OE2-ND2 3.32Å; P236-N247 PolarHBondContact O-N 3.14Å; W237-N247 WeakPolarHBondContact CA-O 3.48Å; W237-N247 HydrophobicContact CE3-CB 4.22Å; W237-N247 HydrophobicContact CZ3-CB 4.16Å; T238-N247 PolarHBondContact N-O 3.26Å; N247-L249 PolarHBondContact O-N 2.81Å
248	D	93.9	Very high	87.9	Confident	1 Å²	1	32 Å²	32	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.5	179.4	-172.9	-69.1	0	0	0	109.7	T238 G240 F250 L251 V252 Y277	T238-D248 WeakPolarHBondContact O-CA 2.98Å; G240-D248 PolarHBondContact N-OD2 2.84Å; D248-F250 VanDerWaalsContact C-N 3.26Å; D248-F250 PolarHBondContact O-N 2.91Å; D248-F250 WeakPolarHBondContact OD1-CA 3.32Å; D248-F250 VanDerWaalsContact OD1-CB 3.31Å; D248-F250 WeakPolarHBondContact OD1-CB 3.48Å; D248-F250 PolarHBondContact OD1-N 2.89Å; D248-L251 HydrophobicContact CB-CB 4.28Å; D248-L251 HydrophobicContact CB-CD1 4Å; D248-L251 HydrophobicContact CB-CG 4.09Å; D248-L251 PolarHBondContact O-N 2.93Å; D248-L251 PolarHBondContact OD1-N 3.04Å; D248-L251 VanDerWaalsContact OD1-N 3.11Å; D248-V252 PolarHBondContact O-N 2.65Å; D248-V252 VanDerWaalsContact O-N 3.13Å; D248-Y277 WeakPolarHBondContact CB-OH 3.31Å; D248-Y277 PolarHBondContact N-OH 2.96Å
249	L	95.9	Very high	88	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-34.5	-175.7	175.2	64.4	0	0	0	112.3	T149 T157 A160 F197 F231 W237 T238 L239 N247 A253	T149-L249 HydrophobicContact CG2-CD2 4.11Å; T157-L249 HydrophobicContact CG2-CD2 4Å; A160-L249 HydrophobicContact CB-CD2 4.32Å; A160-L249 HydrophobicContact CB-CG 4.42Å; F197-L249 HydrophobicContact CE1-CD1 3.96Å; F197-L249 HydrophobicContact CZ-CD1 3.95Å; F197-L249 HydrophobicContact CZ-CD2 4.31Å; F231-L249 HydrophobicContact CD1-CD1 3.89Å; F231-L249 HydrophobicContact CE1-CD1 3.83Å; F231-L249 HydrophobicContact CZ-CD1 4.43Å; W237-L249 HydrophobicContact CD2-CD1 4.28Å; W237-L249 HydrophobicContact CE3-CB 4.02Å; W237-L249 HydrophobicContact CE3-CD1 3.9Å; W237-L249 HydrophobicContact CZ3-CD1 4.13Å; T238-L249 PolarHBondContact O-N 2.8Å; L239-L249 HydrophobicContact CD2-CB 3.98Å; N247-L249 PolarHBondContact O-N 2.81Å; L249-A253 WeakPolarHBondContact O-CB 3.38Å; L249-A253 PolarHBondContact O-N 3.04Å
250	F	96.3	Very high	88.2	Confident	16 Å²	16	27.3 Å²	27.3	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-44.9	178.9	160.5	-97.3	0	0	0	110.8	A160 Q163 A164 V167 L239 D248 A253 V254 T282 F285	A160-F250 HydrophobicContact CB-CB 4.13Å; Q163-F250 HydrophobicContact CB-CD2 3.8Å; Q163-F250 HydrophobicContact CB-CE2 3.74Å; A164-F250 HydrophobicContact CB-CD2 4.25Å; A164-F250 HydrophobicContact CB-CE2 4.42Å; V167-F250 HydrophobicContact CG2-CE2 3.98Å; V167-F250 HydrophobicContact CG2-CZ 3.79Å; L239-F250 HydrophobicContact CD2-CB 4.43Å; D248-F250 VanDerWaalsContact C-N 3.26Å; D248-F250 PolarHBondContact O-N 2.91Å; D248-F250 WeakPolarHBondContact OD1-CA 3.32Å; D248-F250 VanDerWaalsContact OD1-CB 3.31Å; D248-F250 WeakPolarHBondContact OD1-CB 3.48Å; D248-F250 PolarHBondContact OD1-N 2.89Å; F250-A253 PolarHBondContact O-N 3.27Å; F250-V254 HydrophobicContact CD2-CG2 4.18Å; F250-V254 HydrophobicContact CE1-CG2 4.27Å; F250-V254 HydrophobicContact CE2-CG2 3.74Å; F250-V254 HydrophobicContact CZ-CG2 3.8Å; F250-V254 WeakPolarHBondContact O-CG2 3.29Å; F250-V254 PolarHBondContact O-N 3.28Å; F250-T282 HydrophobicContact CD1-CG2 3.85Å; F250-T282 HydrophobicContact CE1-CG2 4.33Å; F250-F285 HydrophobicContact CE1-CB 3.95Å; F250-F285 HydrophobicContact CE1-CD1 4.31Å; F250-F285 HydrophobicContact CE1-CD2 4.23Å; F250-F285 AromaticContact CE1-CG 3.91Å; F250-F285 HydrophobicContact CE1-CG 3.91Å; F250-F285 HydrophobicContact CZ-CB 4.03Å; F250-F285 HydrophobicContact CZ-CD1 4.09Å; F250-F285 HydrophobicContact CZ-CG 4.06Å
251	L	95.8	Very high	88.9	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-45.8	178.9	-65.5	179.4	0	0	0	112	D248 A253 V254 H255 I272 Y277 Y279 M280 T282 F285	D248-L251 HydrophobicContact CB-CB 4.28Å; D248-L251 HydrophobicContact CB-CD1 4Å; D248-L251 HydrophobicContact CB-CG 4.09Å; D248-L251 PolarHBondContact O-N 2.93Å; D248-L251 PolarHBondContact OD1-N 3.04Å; D248-L251 VanDerWaalsContact OD1-N 3.11Å; L251-A253 VanDerWaalsContact C-N 3.33Å; L251-A253 PolarHBondContact O-N 3.24Å; L251-V254 PolarHBondContact O-N 3.09Å; L251-H255 PolarHBondContact O-N 2.76Å; L251-H255 VanDerWaalsContact O-N 3.09Å; L251-I272 HydrophobicContact CB-CD1 4.36Å; L251-I272 HydrophobicContact CD2-CD1 4.28Å; L251-Y277 HydrophobicContact CB-CE2 4.27Å; L251-Y277 HydrophobicContact CD1-CE2 4.46Å; L251-Y279 HydrophobicContact CD1-CD2 4.15Å; L251-M280 HydrophobicContact CD1-CB 4.23Å; L251-M280 VanDerWaalsContact CD1-N 3.31Å; L251-M280 HydrophobicContact CD2-CB 4.03Å; L251-T282 HydrophobicContact CD1-CG2 4.33Å; L251-T282 HydrophobicContact CD2-CG2 4.09Å; L251-T282 HydrophobicContact CG-CG2 4.02Å; L251-F285 HydrophobicContact CD2-CD2 4.07Å; L251-F285 HydrophobicContact CD2-CE2 3.86Å
252	V	96.8	Very high	89.9	Confident	5 Å²	5	23.5 Å²	23.5	3%	0.03	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-41.6	176.8	-178.9	0	0	0	0	110.3	L215 A216 F231 W237 D248 V254 H255 E256 Y277	L215-V252 HydrophobicContact CB-CG1 4.27Å; L215-V252 HydrophobicContact CD1-CG2 3.71Å; A216-V252 HydrophobicContact CB-CG1 3.8Å; F231-V252 HydrophobicContact CD1-CG1 4.25Å; F231-V252 HydrophobicContact CE1-CB 4.45Å; F231-V252 HydrophobicContact CE1-CG1 3.96Å; W237-V252 HydrophobicContact CH2-CB 4.35Å; W237-V252 HydrophobicContact CH2-CG1 4.01Å; W237-V252 HydrophobicContact CH2-CG2 4.44Å; W237-V252 HydrophobicContact CZ3-CB 3.93Å; W237-V252 HydrophobicContact CZ3-CG1 4.11Å; W237-V252 HydrophobicContact CZ3-CG2 3.89Å; D248-V252 PolarHBondContact O-N 2.65Å; D248-V252 VanDerWaalsContact O-N 3.13Å; V252-V254 PolarHBondContact O-N 3.28Å; V252-H255 WeakPolarHBondContact O-CB 3.47Å; V252-H255 PolarHBondContact O-N 3.34Å; V252-H255 VanDerWaalsContact O-N 3.15Å; V252-E256 HydrophobicContact CG1-CG 4.05Å; V252-E256 WeakPolarHBondContact O-CG 3.32Å; V252-E256 PolarHBondContact O-N 3.36Å; V252-Y277 HydrophobicContact CG2-CD2 3.74Å; V252-Y277 HydrophobicContact CG2-CE2 3.91Å
253	A	97.8	Very high	91.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62	-39.6	175.4	0	0	0	0	0	113	I161 A164 F231 L249 F250 L251 H255 L257	I161-A253 HydrophobicContact CD1-CB 3.55Å; A164-A253 HydrophobicContact CB-CB 3.74Å; F231-A253 HydrophobicContact CE1-CB 4.24Å; F231-A253 HydrophobicContact CZ-CB 3.9Å; L249-A253 WeakPolarHBondContact O-CB 3.38Å; L249-A253 PolarHBondContact O-N 3.04Å; F250-A253 PolarHBondContact O-N 3.27Å; L251-A253 VanDerWaalsContact C-N 3.33Å; L251-A253 PolarHBondContact O-N 3.24Å; A253-H255 VanDerWaalsContact C-N 3.3Å; A253-H255 PolarHBondContact O-N 3.35Å; A253-L257 VanDerWaalsContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CB 3.26Å; A253-L257 WeakPolarHBondContact O-CG 3.35Å; A253-L257 PolarHBondContact O-N 3.14Å
254	V	98	Very high	92.3	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-44.1	174.1	173.3	0	0	0	0	110.3	A164 V167 W168 F250 L251 V252 G258 I272 F285	A164-V254 HydrophobicContact CB-CB 4.48Å; A164-V254 HydrophobicContact CB-CG2 3.65Å; V167-V254 HydrophobicContact CB-CG2 4.39Å; V167-V254 HydrophobicContact CG1-CG1 4.18Å; V167-V254 HydrophobicContact CG2-CG2 4.15Å; W168-V254 HydrophobicContact CZ2-CG1 4.15Å; W168-V254 WeakPolarHBondContact CZ2-O 3.38Å; W168-V254 PolarHBondContact NE1-O 2.96Å; F250-V254 HydrophobicContact CD2-CG2 4.18Å; F250-V254 HydrophobicContact CE1-CG2 4.27Å; F250-V254 HydrophobicContact CE2-CG2 3.74Å; F250-V254 HydrophobicContact CZ-CG2 3.8Å; F250-V254 WeakPolarHBondContact O-CG2 3.29Å; F250-V254 PolarHBondContact O-N 3.28Å; L251-V254 PolarHBondContact O-N 3.09Å; V252-V254 PolarHBondContact O-N 3.28Å; V254-G258 PolarHBondContact O-N 3.28Å; V254-G258 VanDerWaalsContact O-N 3.14Å; V254-I272 HydrophobicContact CB-CG1 4.27Å; V254-I272 HydrophobicContact CG1-CG1 3.86Å; V254-I272 HydrophobicContact CG1-CG2 4.05Å; V254-F285 HydrophobicContact CG1-CE1 4.25Å; V254-F285 HydrophobicContact CG1-CZ 4.5Å
255	H	97.2	Very high	93.2	Very high	13 Å²	13	11.1 Å²	11.1	6%	0.06	6%	0.063	C	C	.	.	H	α-helix	trans	-61.1	-56.2	177.1	-177.3	105.2	0	0	0	112.2	C112 L251 V252 A253 L257 G258 H259 H265 I272 A274	C112-H255 WeakPolarHBondContact CB-NE2 3.25Å; L251-H255 PolarHBondContact O-N 2.76Å; L251-H255 VanDerWaalsContact O-N 3.09Å; V252-H255 WeakPolarHBondContact O-CB 3.47Å; V252-H255 PolarHBondContact O-N 3.34Å; V252-H255 VanDerWaalsContact O-N 3.15Å; A253-H255 VanDerWaalsContact C-N 3.3Å; A253-H255 PolarHBondContact O-N 3.35Å; H255-L257 VanDerWaalsContact C-N 3.32Å; H255-L257 PolarHBondContact O-N 2.93Å; H255-G258 WeakPolarHBondContact O-CA 3.14Å; H255-G258 PolarHBondContact O-N 3.35Å; H255-H259 AromaticContact CD2-CD2 3.84Å; H255-H259 AromaticContact CD2-NE2 3.68Å; H255-H259 AromaticContact NE2-CD2 3.8Å; H255-H259 AromaticContact NE2-NE2 3.14Å; H255-H259 PolarHBondContact NE2-NE2 3.04Å; H255-H259 VanDerWaalsContact NE2-NE2 3.14Å; H255-H259 PolarHBondContact O-N 3.13Å; H255-H265 AromaticContact CE1-CD2 3.61Å; H255-H265 AromaticContact CE1-NE2 3.81Å; H255-H265 AromaticContact NE2-CD2 3.49Å; H255-H265 PolarHBondContact NE2-CD2 2.91Å; H255-H265 AromaticContact NE2-NE2 3.34Å; H255-H265 PolarHBondContact NE2-NE2 3.27Å; H255-I272 HydrophobicContact CB-CG1 4.48Å; H255-I272 PolarHBondContact ND1-O 3.45Å; H255-A274 PolarHBondContact CE1-O 2.79Å; H255-A274 PolarHBondContact ND1-O 2.92Å
256	E	97.7	Very high	93.5	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-63.9	-37.3	-176.7	-61.8	-50	144.8	0	0	112.5	C112 A216 H217 A218 T229 F231 V252 G258 H259 A260	C112-E256 PolarHBondContact SG-OE1 3.47Å; C112-E256 VanDerWaalsContact SG-OE1 3.4Å; A216-E256 HydrophobicContact CB-CG 3.53Å; H217-E256 WeakPolarHBondContact CA-OE2 3.44Å; A218-E256 HydrophobicContact CB-CB 4.09Å; A218-E256 VanDerWaalsContact CB-O 3.25Å; A218-E256 WeakPolarHBondContact CB-O 3.47Å; A218-E256 PolarHBondContact N-OE2 3.2Å; A218-E256 VanDerWaalsContact N-OE2 3.09Å; T229-E256 HydrophobicContact CG2-CB 3.51Å; T229-E256 HydrophobicContact CG2-CG 4.15Å; F231-E256 HydrophobicContact CE1-CG 4.43Å; V252-E256 HydrophobicContact CG1-CG 4.05Å; V252-E256 WeakPolarHBondContact O-CG 3.32Å; V252-E256 PolarHBondContact O-N 3.36Å; E256-G258 PolarHBondContact O-N 2.7Å; E256-H259 WeakPolarHBondContact O-CB 3.41Å; E256-H259 PolarHBondContact O-N 2.93Å; E256-H259 VanDerWaalsContact O-N 3.09Å; E256-H259 IonicContact OE2-CD2 3.6Å; E256-A260 PolarHBondContact O-N 2.94Å
257	L	97.8	Very high	93.1	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-65.4	-27.5	173	-68.5	177.5	0	0	0	111.8	A164 F165 I195 A253 H255 H259 A260 L261	A164-L257 HydrophobicContact CB-CD1 3.76Å; F165-L257 HydrophobicContact CD1-CD1 3.91Å; F165-L257 HydrophobicContact CD1-CD2 4.47Å; F165-L257 HydrophobicContact CD2-CD1 3.82Å; F165-L257 HydrophobicContact CE1-CD1 3.96Å; F165-L257 HydrophobicContact CE1-CD2 3.69Å; F165-L257 HydrophobicContact CE1-CG 4.42Å; F165-L257 HydrophobicContact CE2-CD1 3.84Å; F165-L257 HydrophobicContact CE2-CD2 4.02Å; F165-L257 HydrophobicContact CG-CD1 3.86Å; F165-L257 HydrophobicContact CZ-CD1 3.92Å; F165-L257 HydrophobicContact CZ-CD2 3.43Å; F165-L257 VanDerWaalsContact CZ-CD2 3.43Å; F165-L257 HydrophobicContact CZ-CG 4.34Å; I195-L257 HydrophobicContact CD1-CD2 4.43Å; A253-L257 VanDerWaalsContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CB 3.26Å; A253-L257 WeakPolarHBondContact O-CG 3.35Å; A253-L257 PolarHBondContact O-N 3.14Å; H255-L257 VanDerWaalsContact C-N 3.32Å; H255-L257 PolarHBondContact O-N 2.93Å; L257-H259 VanDerWaalsContact C-N 3.35Å; L257-A260 HydrophobicContact CD2-CB 4.45Å; L257-A260 CarbonylContact O-C 3.5Å; L257-A260 PolarHBondContact O-N 3.37Å; L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 WeakPolarHBondContact O-CG 3.14Å; L257-L261 PolarHBondContact O-N 2.96Å
258	G	96.2	Very high	92.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.6	-44.6	169.6	0	0	0	0	0	112	V254 H255 E256 L261 G262 L263	V254-G258 PolarHBondContact O-N 3.28Å; V254-G258 VanDerWaalsContact O-N 3.14Å; H255-G258 WeakPolarHBondContact O-CA 3.14Å; H255-G258 PolarHBondContact O-N 3.35Å; E256-G258 PolarHBondContact O-N 2.7Å; G258-L261 CarbonylContact O-C 3.55Å; G258-L261 PolarHBondContact O-N 3.14Å; G258-G262 PolarHBondContact O-N 3.49Å; G258-G262 VanDerWaalsContact O-N 3.09Å; G258-L263 WeakPolarHBondContact O-CB 3.15Å; G258-L263 PolarHBondContact O-N 3.2Å
259	H	94.2	Very high	91.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.9	-47.1	171.5	-68	-43.1	0	0	0	112.2	C112 A218 F220 H255 E256 L257 L261 G262 L263 H265 M273	C112-H259 PolarHBondContact SG-NE2 2.6Å; A218-H259 HydrophobicContact CB-CB 3.94Å; F220-H259 VanDerWaalsContact CD1-O 3.27Å; F220-H259 WeakPolarHBondContact CD1-O 3.29Å; F220-H259 HydrophobicContact CE1-CB 4.31Å; F220-H259 AromaticContact CE1-ND1 3.96Å; H255-H259 AromaticContact CD2-CD2 3.84Å; H255-H259 AromaticContact CD2-NE2 3.68Å; H255-H259 AromaticContact NE2-CD2 3.8Å; H255-H259 AromaticContact NE2-NE2 3.14Å; H255-H259 PolarHBondContact NE2-NE2 3.04Å; H255-H259 VanDerWaalsContact NE2-NE2 3.14Å; H255-H259 PolarHBondContact O-N 3.13Å; E256-H259 WeakPolarHBondContact O-CB 3.41Å; E256-H259 PolarHBondContact O-N 2.93Å; E256-H259 VanDerWaalsContact O-N 3.09Å; E256-H259 IonicContact OE2-CD2 3.6Å; L257-H259 VanDerWaalsContact C-N 3.35Å; H259-L261 PolarHBondContact O-N 3.47Å; H259-L261 VanDerWaalsContact O-N 3.07Å; H259-G262 PolarHBondContact O-N 2.96Å; H259-L263 WeakPolarHBondContact CA-O 3.45Å; H259-L263 PolarHBondContact ND1-O 2.9Å; H259-H265 AromaticContact CE1-CD2 3.31Å; H259-H265 PolarHBondContact CE1-CD2 3.38Å; H259-H265 AromaticContact CE1-NE2 3.62Å; H259-H265 AromaticContact NE2-CD2 3.34Å; H259-H265 PolarHBondContact NE2-CD2 3.46Å; H259-H265 VanDerWaalsContact NE2-CD2 3.34Å; H259-H265 AromaticContact NE2-NE2 3.2Å; H259-H265 PolarHBondContact NE2-NE2 2.95Å; H259-M273 WeakPolarHBondContact CE1-CE 3.4Å; H259-M273 WeakPolarHBondContact ND1-CE 3.23Å
260	A	94.6	Very high	91.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-21.7	175.8	0	0	0	0	0	112.9	W136 I193 A218 P221 G227 E256 L257	W136-A260 PolarHBondContact NE1-O 3.08Å; I193-A260 HydrophobicContact CD1-CB 4.24Å; A218-A260 HydrophobicContact CB-CB 4.38Å; P221-A260 WeakPolarHBondContact CD-O 3.43Å; P221-A260 VanDerWaalsContact CG-O 3.29Å; P221-A260 WeakPolarHBondContact CG-O 3.38Å; G227-A260 WeakPolarHBondContact O-CB 3.15Å; E256-A260 PolarHBondContact O-N 2.94Å; L257-A260 HydrophobicContact CD2-CB 4.45Å; L257-A260 CarbonylContact O-C 3.5Å; L257-A260 PolarHBondContact O-N 3.37Å
261	L	95.1	Very high	91	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-6.4	174.6	-67.4	175.9	0	0	0	114.2	I141 W168 L174 F176 L257 G258 H259 I295 Y299	I141-L261 HydrophobicContact CD1-CD2 4.03Å; W168-L261 HydrophobicContact CB-CD1 3.63Å; W168-L261 HydrophobicContact CD2-CD1 3.96Å; W168-L261 HydrophobicContact CE3-CD1 4.48Å; W168-L261 HydrophobicContact CG-CD1 3.58Å; L174-L261 HydrophobicContact CD1-CD2 3.73Å; F176-L261 HydrophobicContact CE1-CD2 3.91Å; F176-L261 HydrophobicContact CZ-CD1 4.08Å; F176-L261 HydrophobicContact CZ-CD2 3.85Å; L257-L261 WeakPolarHBondContact O-CB 3.47Å; L257-L261 WeakPolarHBondContact O-CG 3.14Å; L257-L261 PolarHBondContact O-N 2.96Å; G258-L261 CarbonylContact O-C 3.55Å; G258-L261 PolarHBondContact O-N 3.14Å; H259-L261 PolarHBondContact O-N 3.47Å; H259-L261 VanDerWaalsContact O-N 3.07Å; L261-I295 HydrophobicContact CB-CD1 3.95Å; L261-I295 HydrophobicContact CD1-CD1 4.32Å; L261-Y299 HydrophobicContact CB-CE2 4.28Å; L261-Y299 VanDerWaalsContact O-CE2 3.23Å; L261-Y299 WeakPolarHBondContact O-CE2 3.46Å; L261-Y299 PolarHBondContact O-OH 3.09Å
262	G	89.9	Confident	90.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.4	8.3	172.7	0	0	0	0	0	116	T132 G258 H259	T132-G262 PolarHBondContact OG1-O 3.31Å; G258-G262 PolarHBondContact O-N 3.49Å; G258-G262 VanDerWaalsContact O-N 3.09Å; H259-G262 PolarHBondContact O-N 2.96Å
263	L	90.6	Very high	90.7	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-81.5	133.9	172.2	-64.4	171.2	0	0	0	110.7	W168 F220 G258 H259 M273 I295 I298	W168-L263 HydrophobicContact CH2-CD1 3.25Å; W168-L263 HydrophobicContact CZ2-CD1 4.09Å; W168-L263 HydrophobicContact CZ3-CD1 3.57Å; F220-L263 WeakPolarHBondContact CE1-O 3.47Å; G258-L263 WeakPolarHBondContact O-CB 3.15Å; G258-L263 PolarHBondContact O-N 3.2Å; H259-L263 WeakPolarHBondContact CA-O 3.45Å; H259-L263 PolarHBondContact ND1-O 2.9Å; L263-M273 HydrophobicContact CB-CE 4.01Å; L263-M273 HydrophobicContact CB-CG 4.32Å; L263-M273 HydrophobicContact CB-SD 4.38Å; L263-M273 HydrophobicContact CD1-CG 4.01Å; L263-M273 HydrophobicContact CD1-SD 4.29Å; L263-I295 HydrophobicContact CD1-CB 4.19Å; L263-I295 HydrophobicContact CD1-CD1 3.97Å; L263-I295 HydrophobicContact CD2-CB 4.45Å; L263-I295 HydrophobicContact CD2-CD1 4.44Å; L263-I295 HydrophobicContact CG-CD1 4.01Å; L263-I298 HydrophobicContact CD2-CD1 3.85Å; L263-I298 HydrophobicContact CG-CD1 4.29Å
264	E	86.4	Confident	90.2	Very high	33 Å²	33	19 Å²	19	15%	0.154	11%	0.111	C	C	.	.			trans	-87.8	176.5	166.9	-61.4	178.2	-178.5	0	0	110.3	A130 T132 F220 S266	A130-E264 HydrophobicContact CB-CB 3.87Å; A130-E264 HydrophobicContact CB-CG 4.38Å; A130-E264 WeakPolarHBondContact CB-OE2 3.28Å; A130-E264 WeakPolarHBondContact O-CB 3.36Å; A130-E264 PolarHBondContact O-N 3Å; T132-E264 WeakPolarHBondContact CA-OE1 3.32Å; T132-E264 HydrophobicContact CG2-CG 3.48Å; T132-E264 VanDerWaalsContact CG2-CG 3.48Å; T132-E264 VanDerWaalsContact CG2-OE1 3.28Å; T132-E264 WeakPolarHBondContact CG2-OE1 3.17Å; T132-E264 PolarHBondContact N-OE1 2.77Å; F220-E264 HydrophobicContact CE1-CG 4.17Å; F220-E264 HydrophobicContact CZ-CG 4.01Å; E264-S266 PolarHBondContact O-N 3.49Å
265	H	87.6	Confident	89.7	Confident	10 Å²	10	19.3 Å²	19.3	5%	0.046	11%	0.113	C	C	.	.			trans	-58.8	138	174.4	-69.9	152.7	0	0	0	112.3	F90 C112 V114 D116 H255 H259 M273 P275	F90-H265 HydrophobicContact CZ-CB 4.24Å; C112-H265 WeakPolarHBondContact CB-NE2 3.26Å; C112-H265 PolarHBondContact SG-NE2 3.02Å; C112-H265 VanDerWaalsContact SG-NE2 3.41Å; V114-H265 PolarHBondContact O-CE1 3.41Å; D116-H265 IonicContact OD1-CE1 3.25Å; D116-H265 PolarHBondContact OD1-CE1 3.09Å; D116-H265 IonicContact OD1-CG 3.71Å; D116-H265 IonicContact OD1-ND1 2.9Å; D116-H265 PolarHBondContact OD1-ND1 3.43Å; H255-H265 AromaticContact CE1-CD2 3.61Å; H255-H265 AromaticContact CE1-NE2 3.81Å; H255-H265 AromaticContact NE2-CD2 3.49Å; H255-H265 PolarHBondContact NE2-CD2 2.91Å; H255-H265 AromaticContact NE2-NE2 3.34Å; H255-H265 PolarHBondContact NE2-NE2 3.27Å; H259-H265 AromaticContact CE1-CD2 3.31Å; H259-H265 PolarHBondContact CE1-CD2 3.38Å; H259-H265 AromaticContact CE1-NE2 3.62Å; H259-H265 AromaticContact NE2-CD2 3.34Å; H259-H265 PolarHBondContact NE2-CD2 3.46Å; H259-H265 VanDerWaalsContact NE2-CD2 3.34Å; H259-H265 AromaticContact NE2-NE2 3.2Å; H259-H265 PolarHBondContact NE2-NE2 2.95Å; H265-M273 CarbonylContact C-O 3.58Å; H265-M273 VanDerWaalsContact CA-O 3.25Å; H265-M273 WeakPolarHBondContact CA-O 3.28Å; H265-P275 HydrophobicContact CB-CG 3.82Å
266	S	83.6	Confident	89.3	Confident	3 Å²	3	19.8 Å²	19.8	2%	0.021	12%	0.115	C	C	.	.			trans	-84.7	147.6	169.6	-175	0	0	0	0	110.5	E264 D268 M273 P275 D290	E264-S266 PolarHBondContact O-N 3.49Å; S266-D268 VanDerWaalsContact C-N 3.34Å; S266-D268 PolarHBondContact OG-N 3.29Å; S266-D268 VanDerWaalsContact OG-N 3.1Å; S266-M273 PolarHBondContact N-O 2.85Å; S266-P275 WeakPolarHBondContact O-CD 3.44Å; S266-D290 WeakPolarHBondContact CB-OD2 3.02Å; S266-D290 PolarHBondContact OG-OD2 3.33Å
267	N	78.6	Confident	88.9	Confident	96 Å²	96	22 Å²	22	51%	0.513	12%	0.124	S	C	.	.	S	Bend	trans	-90.7	-1.1	169.7	70.2	-17.7	0	0	0	112.8	F90 R128 P269	F90-N267 HydrophobicContact CD2-CB 4.4Å; F90-N267 HydrophobicContact CE2-CB 4.15Å; R128-N267 PolarHBondContact O-OD1 3.03Å; N267-P269 WeakPolarHBondContact O-CD 3.47Å
268	D	78.9	Confident	88.2	Confident	54 Å²	54	25.1 Å²	25.1	29%	0.289	14%	0.138	S	C	.	.			trans	-80.3	113.9	170.5	-173.9	-16.4	0	0	0	108.8	S266 S270 A271	S266-D268 VanDerWaalsContact C-N 3.34Å; S266-D268 PolarHBondContact OG-N 3.29Å; S266-D268 VanDerWaalsContact OG-N 3.1Å; D268-S270 VanDerWaalsContact CG-OG 3.23Å; D268-S270 PolarHBondContact O-N 3.33Å; D268-S270 VanDerWaalsContact O-N 3.1Å; D268-S270 WeakPolarHBondContact OD1-CB 3.16Å; D268-S270 PolarHBondContact OD1-N 3.07Å; D268-S270 PolarHBondContact OD1-OG 3.34Å; D268-S270 PolarHBondContact OD2-OG 3.11Å; D268-A271 HydrophobicContact CB-CB 4.19Å; D268-A271 VanDerWaalsContact O-CB 3.31Å; D268-A271 WeakPolarHBondContact O-CB 3.47Å; D268-A271 PolarHBondContact O-N 2.71Å
269	P	80.9	Confident	87.8	Confident	91 Å²	91	28.3 Å²	28.3	59%	0.591	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.6	179.6	28.3	-35.6	0	0	0	112.6	N267 Q278	N267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-Q278 PolarHBondContact O-NE2 3.45Å; P269-Q278 PolarHBondContact O-OE1 3.03Å
270	S	83.3	Confident	87.4	Confident	68 Å²	68	30.3 Å²	30.3	48%	0.476	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.3	175.8	71	0	0	0	0	114.3	D268 P288	D268-S270 VanDerWaalsContact CG-OG 3.23Å; D268-S270 PolarHBondContact O-N 3.33Å; D268-S270 VanDerWaalsContact O-N 3.1Å; D268-S270 WeakPolarHBondContact OD1-CB 3.16Å; D268-S270 PolarHBondContact OD1-N 3.07Å; D268-S270 PolarHBondContact OD1-OG 3.34Å; D268-S270 PolarHBondContact OD2-OG 3.11Å; S270-P288 WeakPolarHBondContact O-CG 3.46Å
271	A	90.1	Very high	87	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-76.9	149.9	177.3	0	0	0	0	0	111.7	D268 M273 A274 Q278 D290 D291	D268-A271 HydrophobicContact CB-CB 4.19Å; D268-A271 VanDerWaalsContact O-CB 3.31Å; D268-A271 WeakPolarHBondContact O-CB 3.47Å; D268-A271 PolarHBondContact O-N 2.71Å; A271-M273 VanDerWaalsContact C-N 3.25Å; A271-A274 VanDerWaalsContact O-CB 3.31Å; A271-A274 WeakPolarHBondContact O-CB 3.3Å; A271-A274 PolarHBondContact O-N 2.93Å; A271-Q278 PolarHBondContact O-NE2 3.18Å; A271-Q278 VanDerWaalsContact O-NE2 3.1Å; A271-D290 HydrophobicContact CB-CB 4.46Å; A271-D291 WeakPolarHBondContact CA-OD2 3.35Å
272	I	94.2	Very high	86.6	Confident	11 Å²	11	39.1 Å²	39.1	6%	0.056	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-30	169.8	-168.8	60.9	0	0	0	110.4	L251 V254 H255 A274 M280 F285 L287 D291	L251-I272 HydrophobicContact CB-CD1 4.36Å; L251-I272 HydrophobicContact CD2-CD1 4.28Å; V254-I272 HydrophobicContact CB-CG1 4.27Å; V254-I272 HydrophobicContact CG1-CG1 3.86Å; V254-I272 HydrophobicContact CG1-CG2 4.05Å; H255-I272 HydrophobicContact CB-CG1 4.48Å; H255-I272 PolarHBondContact ND1-O 3.45Å; I272-A274 PolarHBondContact O-N 2.95Å; I272-M280 HydrophobicContact CB-SD 4.38Å; I272-M280 HydrophobicContact CD1-SD 3.77Å; I272-F285 HydrophobicContact CB-CZ 4.33Å; I272-F285 HydrophobicContact CD1-CZ 4.47Å; I272-F285 HydrophobicContact CG1-CZ 4.3Å; I272-L287 HydrophobicContact CG2-CD1 3.72Å; I272-D291 HydrophobicContact CG2-CB 4.27Å; I272-D291 PolarHBondContact N-OD2 3.18Å
273	M	92.2	Very high	86.4	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	9.1	173.9	-63.6	-55.7	-55.6	0	0	113.8	W168 H259 L263 H265 S266 A271 D291	W168-M273 HydrophobicContact CH2-SD 4.5Å; W168-M273 HydrophobicContact CZ2-SD 4.28Å; H259-M273 WeakPolarHBondContact CE1-CE 3.4Å; H259-M273 WeakPolarHBondContact ND1-CE 3.23Å; L263-M273 HydrophobicContact CB-CE 4.01Å; L263-M273 HydrophobicContact CB-CG 4.32Å; L263-M273 HydrophobicContact CB-SD 4.38Å; L263-M273 HydrophobicContact CD1-CG 4.01Å; L263-M273 HydrophobicContact CD1-SD 4.29Å; H265-M273 CarbonylContact C-O 3.58Å; H265-M273 VanDerWaalsContact CA-O 3.25Å; H265-M273 WeakPolarHBondContact CA-O 3.28Å; S266-M273 PolarHBondContact N-O 2.85Å; A271-M273 VanDerWaalsContact C-N 3.25Å; M273-D291 WeakPolarHBondContact CB-OD1 3.36Å; M273-D291 WeakPolarHBondContact CG-OD1 3.4Å; M273-D291 PolarHBondContact N-OD1 3.14Å; M273-D291 VanDerWaalsContact N-OD1 3.1Å
274	A	87.5	Confident	86.2	Confident	9 Å²	9	51.2 Å²	51.2	7%	0.074	27%	0.265	C	S	.	.	S	Bend	trans	-63.6	138.1	169.7	0	0	0	0	0	110	H255 A271 I272 F276	H255-A274 PolarHBondContact CE1-O 2.79Å; H255-A274 PolarHBondContact ND1-O 2.92Å; A271-A274 VanDerWaalsContact O-CB 3.31Å; A271-A274 WeakPolarHBondContact O-CB 3.3Å; A271-A274 PolarHBondContact O-N 2.93Å; I272-A274 PolarHBondContact O-N 2.95Å; A274-F276 VanDerWaalsContact C-N 3.33Å; A274-F276 PolarHBondContact O-N 3.27Å
275	P	86.9	Confident	86.5	Confident	7 Å²	7	51 Å²	51	5%	0.045	26%	0.264	C	S	.	.	S	Bend	trans	-61.2	-37.5	-172.9	-17	19.5	0	0	0	114.4	F90 Y91 R111 C112 D116 H265 S266	F90-P275 HydrophobicContact CE1-CG 3.7Å; F90-P275 HydrophobicContact CZ-CG 4.49Å; Y91-P275 HydrophobicContact CD1-CG 4.44Å; Y91-P275 HydrophobicContact CE1-CB 4.31Å; Y91-P275 HydrophobicContact CE1-CG 3.93Å; R111-P275 VanDerWaalsContact CA-O 3.26Å; R111-P275 WeakPolarHBondContact CA-O 3.03Å; R111-P275 WeakPolarHBondContact CB-O 3.4Å; C112-P275 PolarHBondContact N-O 3.28Å; D116-P275 WeakPolarHBondContact OD1-CG 3.25Å; H265-P275 HydrophobicContact CB-CG 3.82Å; S266-P275 WeakPolarHBondContact O-CD 3.44Å
276	F	88.5	Confident	86.7	Confident	22 Å²	22	59 Å²	59	10%	0.096	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-79.9	137.4	179.1	-68.4	-68.8	0	0	0	110.6	Y91 W106 K109 R111 A274 Q278	Y91-F276 HydrophobicContact CD1-CD2 4.33Å; Y91-F276 AromaticContact CD1-CE2 3.69Å; Y91-F276 HydrophobicContact CD1-CE2 3.69Å; Y91-F276 AromaticContact CD2-CE2 3.36Å; Y91-F276 HydrophobicContact CD2-CE2 3.36Å; Y91-F276 AromaticContact CD2-CZ 3.62Å; Y91-F276 HydrophobicContact CD2-CZ 3.62Å; Y91-F276 AromaticContact CE1-CE2 3.95Å; Y91-F276 HydrophobicContact CE1-CE2 3.95Å; Y91-F276 HydrophobicContact CE1-CZ 4.42Å; Y91-F276 AromaticContact CE2-CE2 3.58Å; Y91-F276 HydrophobicContact CE2-CE2 3.58Å; Y91-F276 AromaticContact CE2-CZ 3.45Å; Y91-F276 HydrophobicContact CE2-CZ 3.45Å; Y91-F276 VanDerWaalsContact CE2-CZ 3.45Å; Y91-F276 HydrophobicContact CG-CD2 4.38Å; Y91-F276 AromaticContact CG-CE2 3.45Å; Y91-F276 HydrophobicContact CG-CE2 3.45Å; Y91-F276 VanDerWaalsContact CG-CE2 3.45Å; Y91-F276 HydrophobicContact CG-CZ 4.18Å; Y91-F276 AromaticContact CZ-CE2 3.95Å; Y91-F276 AromaticContact CZ-CZ 3.97Å; W106-F276 AromaticContact CE3-CD2 3.93Å; W106-F276 HydrophobicContact CE3-CD2 3.93Å; W106-F276 AromaticContact CE3-CE2 3.71Å; W106-F276 HydrophobicContact CE3-CE2 3.71Å; W106-F276 HydrophobicContact CE3-CG 4.41Å; W106-F276 HydrophobicContact CE3-CZ 4.06Å; W106-F276 AromaticContact CZ3-CD2 3.92Å; W106-F276 HydrophobicContact CZ3-CD2 3.92Å; W106-F276 HydrophobicContact CZ3-CE2 4.14Å; W106-F276 HydrophobicContact CZ3-CG 4.41Å; W106-F276 WeakPolarHBondContact O-CE1 3.47Å; K109-F276 HydrophobicContact CB-CD1 3.76Å; K109-F276 HydrophobicContact CB-CE1 4.07Å; R111-F276 HydrophobicContact CB-CD1 3.92Å; R111-F276 HydrophobicContact CB-CE1 4.44Å; A274-F276 VanDerWaalsContact C-N 3.33Å; A274-F276 PolarHBondContact O-N 3.27Å; F276-Q278 PolarHBondContact O-N 3.2Å
277	Y	89.5	Confident	87.1	Confident	48 Å²	48	59.9 Å²	59.9	19%	0.188	30%	0.302	C	S	.	.			trans	-63	129.7	171.3	174.3	-100.1	0	0	0	110.2	P110 L215 D248 L251 V252	P110-Y277 HydrophobicContact CG-CD1 4.22Å; P110-Y277 PolarHBondContact O-N 3.41Å; L215-Y277 HydrophobicContact CD1-CD2 3.9Å; L215-Y277 HydrophobicContact CD1-CG 3.78Å; D248-Y277 WeakPolarHBondContact CB-OH 3.31Å; D248-Y277 PolarHBondContact N-OH 2.96Å; L251-Y277 HydrophobicContact CB-CE2 4.27Å; L251-Y277 HydrophobicContact CD1-CE2 4.46Å; V252-Y277 HydrophobicContact CG2-CD2 3.74Å; V252-Y277 HydrophobicContact CG2-CE2 3.91Å
278	Q	84.3	Confident	87.7	Confident	67 Å²	67	56.2 Å²	56.2	31%	0.313	28%	0.284	S	S	.	.			trans	-135.5	137.6	171.8	61.8	179.9	-0.3	0	0	109.1	P269 A271 F276 M280	P269-Q278 PolarHBondContact O-NE2 3.45Å; P269-Q278 PolarHBondContact O-OE1 3.03Å; A271-Q278 PolarHBondContact O-NE2 3.18Å; A271-Q278 VanDerWaalsContact O-NE2 3.1Å; F276-Q278 PolarHBondContact O-N 3.2Å; Q278-M280 HydrophobicContact CG-CG 4.49Å
279	Y	86.4	Confident	88.3	Confident	68 Å²	68	59.2 Å²	59.2	27%	0.267	30%	0.296	S	S	.	.			trans	-72.1	138	175.3	-177	-89.8	0	0	0	110.5	H244 L251	H244-Y279 AromaticContact CE1-CD1 3.14Å; H244-Y279 WeakPolarHBondContact CE1-CD1 3.19Å; H244-Y279 AromaticContact CE1-CE1 3.37Å; H244-Y279 WeakPolarHBondContact CE1-CE1 3.39Å; H244-Y279 AromaticContact CE1-CG 3.67Å; H244-Y279 AromaticContact ND1-CD1 3.21Å; H244-Y279 WeakPolarHBondContact ND1-CD1 3.2Å; H244-Y279 AromaticContact ND1-CD2 3.63Å; H244-Y279 AromaticContact ND1-CE1 3.64Å; H244-Y279 AromaticContact ND1-CG 3.18Å; L251-Y279 HydrophobicContact CD1-CD2 4.15Å
280	M	87.1	Confident	88.6	Confident	42 Å²	42	55.5 Å²	55.5	21%	0.207	27%	0.272	C	S	.	.			trans	-129.9	151.9	172.5	-53.8	-176.6	78.2	0	0	108.7	L251 I272 Q278 T282 F285 P288	L251-M280 HydrophobicContact CD1-CB 4.23Å; L251-M280 VanDerWaalsContact CD1-N 3.31Å; L251-M280 HydrophobicContact CD2-CB 4.03Å; I272-M280 HydrophobicContact CB-SD 4.38Å; I272-M280 HydrophobicContact CD1-SD 3.77Å; Q278-M280 HydrophobicContact CG-CG 4.49Å; M280-T282 PolarHBondContact O-N 3.14Å; M280-T282 VanDerWaalsContact O-N 3.1Å; M280-F285 HydrophobicContact CB-CD2 4.48Å; M280-F285 HydrophobicContact CB-CE2 4.12Å; M280-F285 HydrophobicContact CE-CE2 4.24Å; M280-F285 HydrophobicContact SD-CE2 3.81Å; M280-F285 HydrophobicContact SD-CZ 4.36Å; M280-P288 HydrophobicContact CE-CG 3.8Å
281	E	85.9	Confident	89.1	Confident	146 Å²	146	52.4 Å²	52.4	68%	0.682	25%	0.25	S	C	*	.			trans	-60.4	118.4	173.7	-73.5	-176.1	-162.6	0	0	110.6
282	T	87.1	Confident	89.3	Confident	39 Å²	39	54.3 Å²	54.3	24%	0.239	26%	0.259	C	S	.	.			trans	-82.8	-24.4	-178.3	57.4	0	0	0	0	112.4	F250 L251 M280 N284 F285	F250-T282 HydrophobicContact CD1-CG2 3.85Å; F250-T282 HydrophobicContact CE1-CG2 4.33Å; L251-T282 HydrophobicContact CD1-CG2 4.33Å; L251-T282 HydrophobicContact CD2-CG2 4.09Å; L251-T282 HydrophobicContact CG-CG2 4.02Å; M280-T282 PolarHBondContact O-N 3.14Å; M280-T282 VanDerWaalsContact O-N 3.1Å; T282-N284 PolarHBondContact O-N 3.24Å; T282-F285 PolarHBondContact O-N 2.91Å
283	H	85.9	Confident	89.2	Confident	131 Å²	131	57 Å²	57	61%	0.606	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	122.3	170.7	144	-86.9	0	0	0	109.6	F285	H283-F285 PolarHBondContact O-N 3.19Å; H283-F285 VanDerWaalsContact O-N 3.12Å
284	N	85.7	Confident	89.1	Confident	128 Å²	128	56.9 Å²	56.9	68%	0.684	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.1	179.6	-70.2	-29.6	0	0	0	113.8	T282 K286	T282-N284 PolarHBondContact O-N 3.24Å; N284-K286 PolarHBondContact O-N 3.01Å
285	F	92.5	Very high	89.4	Confident	30 Å²	30	56.4 Å²	56.4	13%	0.132	27%	0.268	C	S	.	.			trans	-46.5	129	179.8	-179	-92.3	0	0	0	111.7	V167 F250 L251 V254 I272 M280 T282 H283 L287	V167-F285 HydrophobicContact CG1-CD1 4.12Å; V167-F285 HydrophobicContact CG1-CE1 3.9Å; V167-F285 HydrophobicContact CG2-CD1 3.89Å; V167-F285 HydrophobicContact CG2-CE1 4.37Å; F250-F285 HydrophobicContact CE1-CB 3.95Å; F250-F285 HydrophobicContact CE1-CD1 4.31Å; F250-F285 HydrophobicContact CE1-CD2 4.23Å; F250-F285 AromaticContact CE1-CG 3.91Å; F250-F285 HydrophobicContact CE1-CG 3.91Å; F250-F285 HydrophobicContact CZ-CB 4.03Å; F250-F285 HydrophobicContact CZ-CD1 4.09Å; F250-F285 HydrophobicContact CZ-CG 4.06Å; L251-F285 HydrophobicContact CD2-CD2 4.07Å; L251-F285 HydrophobicContact CD2-CE2 3.86Å; V254-F285 HydrophobicContact CG1-CE1 4.25Å; V254-F285 HydrophobicContact CG1-CZ 4.5Å; I272-F285 HydrophobicContact CB-CZ 4.33Å; I272-F285 HydrophobicContact CD1-CZ 4.47Å; I272-F285 HydrophobicContact CG1-CZ 4.3Å; M280-F285 HydrophobicContact CB-CD2 4.48Å; M280-F285 HydrophobicContact CB-CE2 4.12Å; M280-F285 HydrophobicContact CE-CE2 4.24Å; M280-F285 HydrophobicContact SD-CE2 3.81Å; M280-F285 HydrophobicContact SD-CZ 4.36Å; T282-F285 PolarHBondContact O-N 2.91Å; H283-F285 PolarHBondContact O-N 3.19Å; H283-F285 VanDerWaalsContact O-N 3.12Å; F285-L287 HydrophobicContact CE1-CD1 4.45Å
286	K	90.7	Very high	89.8	Confident	178 Å²	178	58.8 Å²	58.8	77%	0.774	28%	0.278	S	S	*	.			trans	-118.5	134	174	-69.2	-175.2	-178.8	178.7	0	108.9	N284	N284-K286 PolarHBondContact O-N 3.01Å
287	L	93.2	Very high	89.9	Confident	20 Å²	20	62.5 Å²	62.5	11%	0.105	29%	0.294	C	S	.	.			trans	-61.8	128.2	178.4	-166.8	69.8	0	0	0	109.9	V167 W168 V171 I272 F285 D291 L292 I295	V167-L287 HydrophobicContact CG1-CB 4.43Å; V167-L287 HydrophobicContact CG1-CD1 4.14Å; W168-L287 HydrophobicContact CE3-CD2 4.05Å; W168-L287 HydrophobicContact CH2-CD1 3.85Å; W168-L287 HydrophobicContact CH2-CD2 4.17Å; W168-L287 HydrophobicContact CZ2-CD1 4.31Å; W168-L287 HydrophobicContact CZ3-CD1 4.04Å; W168-L287 HydrophobicContact CZ3-CD2 3.55Å; W168-L287 HydrophobicContact CZ3-CG 4.45Å; V171-L287 HydrophobicContact CG2-CD2 3.93Å; I272-L287 HydrophobicContact CG2-CD1 3.72Å; F285-L287 HydrophobicContact CE1-CD1 4.45Å; L287-D291 HydrophobicContact CD1-CB 3.73Å; L287-D291 HydrophobicContact CD2-CB 3.96Å; L287-D291 HydrophobicContact CG-CB 3.67Å; L287-L292 HydrophobicContact CD2-CB 4.11Å; L287-I295 HydrophobicContact CD2-CG2 4.31Å
288	P	90.9	Very high	90	Very high	20 Å²	20	61.1 Å²	61.1	13%	0.13	29%	0.29	C	S	.	.			trans	-58.2	157.2	175.2	-25.1	34.6	0	0	0	112.8	S270 M280 D290 D291 L292	S270-P288 WeakPolarHBondContact O-CG 3.46Å; M280-P288 HydrophobicContact CE-CG 3.8Å; P288-D290 VanDerWaalsContact C-N 3.29Å; P288-D290 PolarHBondContact O-N 2.91Å; P288-D291 VanDerWaalsContact CB-OD2 3.31Å; P288-D291 WeakPolarHBondContact CB-OD2 3.48Å; P288-D291 WeakPolarHBondContact CD-OD2 3.27Å; P288-D291 WeakPolarHBondContact CG-OD2 3.44Å; P288-D291 PolarHBondContact O-N 2.94Å; P288-L292 WeakPolarHBondContact O-CB 3.34Å; P288-L292 PolarHBondContact O-N 2.91Å
289	Q	91.1	Very high	90.4	Very high	117 Å²	117	59.5 Å²	59.5	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-66.9	-28.8	-169.4	-174.4	58.1	26.9	0	0	113.3	Q293	Q289-Q293 VanDerWaalsContact NE2-NE2 3.11Å; Q289-Q293 VanDerWaalsContact O-CG 3.31Å; Q289-Q293 WeakPolarHBondContact O-CG 3.39Å; Q289-Q293 PolarHBondContact O-N 2.83Å; Q289-Q293 PolarHBondContact O-NE2 3.36Å
290	D	88.4	Confident	90.7	Very high	13 Å²	13	57.2 Å²	57.2	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-69.2	-48.6	175.9	-171.4	63.3	0	0	0	111.3	R128 S266 A271 P288 L292 Q293 G294	R128-D290 VanDerWaalsContact CB-OD1 3.24Å; R128-D290 WeakPolarHBondContact CB-OD1 3.46Å; S266-D290 WeakPolarHBondContact CB-OD2 3.02Å; S266-D290 PolarHBondContact OG-OD2 3.33Å; A271-D290 HydrophobicContact CB-CB 4.46Å; P288-D290 VanDerWaalsContact C-N 3.29Å; P288-D290 PolarHBondContact O-N 2.91Å; D290-L292 PolarHBondContact O-N 2.9Å; D290-Q293 PolarHBondContact O-N 2.88Å; D290-G294 PolarHBondContact O-N 3.29Å
291	D	93.5	Very high	91	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-41.7	178	-54.1	-65.7	0	0	0	111.8	W168 A271 I272 M273 L287 P288 Q293 G294 I295	W168-D291 HydrophobicContact CH2-CB 4.4Å; A271-D291 WeakPolarHBondContact CA-OD2 3.35Å; I272-D291 HydrophobicContact CG2-CB 4.27Å; I272-D291 PolarHBondContact N-OD2 3.18Å; M273-D291 WeakPolarHBondContact CB-OD1 3.36Å; M273-D291 WeakPolarHBondContact CG-OD1 3.4Å; M273-D291 PolarHBondContact N-OD1 3.14Å; M273-D291 VanDerWaalsContact N-OD1 3.1Å; L287-D291 HydrophobicContact CD1-CB 3.73Å; L287-D291 HydrophobicContact CD2-CB 3.96Å; L287-D291 HydrophobicContact CG-CB 3.67Å; P288-D291 VanDerWaalsContact CB-OD2 3.31Å; P288-D291 WeakPolarHBondContact CB-OD2 3.48Å; P288-D291 WeakPolarHBondContact CD-OD2 3.27Å; P288-D291 WeakPolarHBondContact CG-OD2 3.44Å; P288-D291 PolarHBondContact O-N 2.94Å; D291-Q293 PolarHBondContact O-N 2.91Å; D291-G294 PolarHBondContact O-N 3.09Å; D291-I295 WeakPolarHBondContact O-CG2 3.46Å; D291-I295 PolarHBondContact O-N 3.33Å
292	L	94.4	Very high	91.2	Very high	39 Å²	39	54.8 Å²	54.8	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-46	176.1	-176.7	152.5	0	0	0	111.5	V171 L287 P288 D290 I295 Q296	V171-L292 HydrophobicContact CG1-CD1 4.46Å; L287-L292 HydrophobicContact CD2-CB 4.11Å; P288-L292 WeakPolarHBondContact O-CB 3.34Å; P288-L292 PolarHBondContact O-N 2.91Å; D290-L292 PolarHBondContact O-N 2.9Å; L292-I295 WeakPolarHBondContact O-CG2 3.47Å; L292-Q296 HydrophobicContact CD2-CG 4.46Å; L292-Q296 VanDerWaalsContact O-CB 3.31Å; L292-Q296 WeakPolarHBondContact O-CB 3.43Å; L292-Q296 VanDerWaalsContact O-CG 3.3Å; L292-Q296 WeakPolarHBondContact O-CG 3.14Å; L292-Q296 PolarHBondContact O-N 3.32Å; L292-Q296 VanDerWaalsContact O-N 3.07Å
293	Q	91.8	Very high	90.9	Very high	67 Å²	67	56.7 Å²	56.7	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.7	-74.3	175	45	0	0	112	Y129 Q289 D290 D291 K297	Y129-Q293 HydrophobicContact CD1-CB 4.33Å; Y129-Q293 HydrophobicContact CE1-CB 4Å; Q289-Q293 VanDerWaalsContact NE2-NE2 3.11Å; Q289-Q293 VanDerWaalsContact O-CG 3.31Å; Q289-Q293 WeakPolarHBondContact O-CG 3.39Å; Q289-Q293 PolarHBondContact O-N 2.83Å; Q289-Q293 PolarHBondContact O-NE2 3.36Å; D290-Q293 PolarHBondContact O-N 2.88Å; D291-Q293 PolarHBondContact O-N 2.91Å; Q293-K297 WeakPolarHBondContact O-CB 3.2Å; Q293-K297 PolarHBondContact O-N 3.22Å; Q293-K297 VanDerWaalsContact O-N 3.11Å
294	G	90	Very high	90.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-54.9	176.6	0	0	0	0	0	111.2	D290 D291 K297 I298	D290-G294 PolarHBondContact O-N 3.29Å; D291-G294 PolarHBondContact O-N 3.09Å; G294-K297 PolarHBondContact O-N 2.93Å; G294-I298 PolarHBondContact O-N 2.93Å
295	I	94.2	Very high	88.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.2	-39.7	-174.7	-161.9	69.4	0	0	0	112.3	W168 V171 T172 L261 L263 L287 D291 L292 K297 I298 Y299	W168-I295 HydrophobicContact CE3-CB 4.1Å; W168-I295 HydrophobicContact CE3-CD1 4.17Å; W168-I295 HydrophobicContact CE3-CG1 3.8Å; W168-I295 HydrophobicContact CE3-CG2 4.14Å; W168-I295 HydrophobicContact CZ3-CB 3.73Å; W168-I295 HydrophobicContact CZ3-CD1 4.22Å; W168-I295 HydrophobicContact CZ3-CG1 3.91Å; W168-I295 HydrophobicContact CZ3-CG2 3.89Å; V171-I295 HydrophobicContact CG2-CG2 3.93Å; T172-I295 HydrophobicContact CG2-CB 4.38Å; T172-I295 HydrophobicContact CG2-CD1 4.5Å; T172-I295 HydrophobicContact CG2-CG1 3.43Å; T172-I295 VanDerWaalsContact CG2-CG1 3.43Å; T172-I295 HydrophobicContact CG2-CG2 4.09Å; L261-I295 HydrophobicContact CB-CD1 3.95Å; L261-I295 HydrophobicContact CD1-CD1 4.32Å; L263-I295 HydrophobicContact CD1-CB 4.19Å; L263-I295 HydrophobicContact CD1-CD1 3.97Å; L263-I295 HydrophobicContact CD2-CB 4.45Å; L263-I295 HydrophobicContact CD2-CD1 4.44Å; L263-I295 HydrophobicContact CG-CD1 4.01Å; L287-I295 HydrophobicContact CD2-CG2 4.31Å; D291-I295 WeakPolarHBondContact O-CG2 3.46Å; D291-I295 PolarHBondContact O-N 3.33Å; L292-I295 WeakPolarHBondContact O-CG2 3.47Å; I295-K297 PolarHBondContact O-N 3.24Å; I295-I298 HydrophobicContact CD1-CD1 4.47Å; I295-I298 WeakPolarHBondContact O-CB 3.47Å; I295-I298 PolarHBondContact O-N 3.18Å; I295-Y299 HydrophobicContact CD1-CD2 3.76Å; I295-Y299 HydrophobicContact CD1-CE2 3.76Å; I295-Y299 HydrophobicContact CG1-CD2 4.07Å; I295-Y299 PolarHBondContact O-N 2.77Å
296	Q	94.7	Very high	86.4	Confident	57 Å²	57	65.1 Å²	65.1	27%	0.266	35%	0.349	S	S	.	.	H	α-helix	trans	-69	-21.1	177.9	-72	-173.3	-5.7	0	0	112.5	V171 L292 I298 G300	V171-Q296 WeakPolarHBondContact O-CG 3.12Å; V171-Q296 PolarHBondContact O-NE2 3.34Å; L292-Q296 HydrophobicContact CD2-CG 4.46Å; L292-Q296 VanDerWaalsContact O-CB 3.31Å; L292-Q296 WeakPolarHBondContact O-CB 3.43Å; L292-Q296 VanDerWaalsContact O-CG 3.3Å; L292-Q296 WeakPolarHBondContact O-CG 3.14Å; L292-Q296 PolarHBondContact O-N 3.32Å; L292-Q296 VanDerWaalsContact O-N 3.07Å; Q296-I298 VanDerWaalsContact C-N 3.34Å; Q296-G300 WeakPolarHBondContact O-CA 3.27Å; Q296-G300 PolarHBondContact O-N 2.91Å
297	K	90.6	Very high	83.9	Confident	100 Å²	100	64.9 Å²	64.9	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-73.8	-27	170.2	-174	164.3	170.7	-178.6	0	113.4	Y129 L131 Q293 G294 I295	Y129-K297 HydrophobicContact CE2-CB 4.48Å; Y129-K297 HydrophobicContact CE2-CD 3.39Å; Y129-K297 WeakPolarHBondContact OH-CD 3.23Å; Y129-K297 PolarHBondContact OH-NZ 3.46Å; L131-K297 HydrophobicContact CD1-CD 4.05Å; L131-K297 HydrophobicContact CD1-CG 4.12Å; Q293-K297 WeakPolarHBondContact O-CB 3.2Å; Q293-K297 PolarHBondContact O-N 3.22Å; Q293-K297 VanDerWaalsContact O-N 3.11Å; G294-K297 PolarHBondContact O-N 2.93Å; I295-K297 PolarHBondContact O-N 3.24Å
298	I	90.9	Very high	81.7	Confident	19 Å²	19	69.8 Å²	69.8	10%	0.097	38%	0.384	C	S	.	.	H	α-helix	trans	-78.2	-49.1	176.9	-57.8	176	0	0	0	110.5	L131 K135 L263 G294 I295 Q296	L131-I298 HydrophobicContact CD2-CD1 3.5Å; L131-I298 HydrophobicContact CD2-CG1 3.36Å; K135-I298 HydrophobicContact CB-CG2 3.53Å; K135-I298 HydrophobicContact CD-CG2 3.8Å; K135-I298 HydrophobicContact CG-CG2 4.34Å; K135-I298 PolarHBondContact NZ-O 3.31Å; L263-I298 HydrophobicContact CD2-CD1 3.85Å; L263-I298 HydrophobicContact CG-CD1 4.29Å; G294-I298 PolarHBondContact O-N 2.93Å; I295-I298 HydrophobicContact CD1-CD1 4.47Å; I295-I298 WeakPolarHBondContact O-CB 3.47Å; I295-I298 PolarHBondContact O-N 3.18Å; Q296-I298 VanDerWaalsContact C-N 3.34Å
299	Y	94.1	Very high	79.4	Confident	32 Å²	32	75.5 Å²	75.5	13%	0.125	42%	0.419	C	S	.	.	H	α-helix	trans	-112.8	-18.8	-168.4	-62	-72.7	0	0	0	114.9	K135 W136 P173 L174 L261 I295	K135-Y299 HydrophobicContact CB-CE1 4.1Å; W136-Y299 HydrophobicContact CB-CE1 4.29Å; W136-Y299 PolarHBondContact N-OH 3.25Å; W136-Y299 VanDerWaalsContact N-OH 3.14Å; P173-Y299 VanDerWaalsContact CG-O 3.26Å; P173-Y299 WeakPolarHBondContact CG-O 3.41Å; L174-Y299 HydrophobicContact CD1-CD1 4.01Å; L174-Y299 HydrophobicContact CD1-CD2 3.92Å; L174-Y299 HydrophobicContact CD1-CE1 3.97Å; L174-Y299 HydrophobicContact CD1-CE2 3.88Å; L174-Y299 HydrophobicContact CD1-CG 3.99Å; L174-Y299 HydrophobicContact CD2-CD1 3.73Å; L174-Y299 HydrophobicContact CD2-CE1 3.95Å; L174-Y299 HydrophobicContact CD2-CG 4.3Å; L174-Y299 HydrophobicContact CG-CD1 4.1Å; L174-Y299 HydrophobicContact CG-CE1 4.43Å; L174-Y299 HydrophobicContact CG-CG 4.18Å; L261-Y299 HydrophobicContact CB-CE2 4.28Å; L261-Y299 VanDerWaalsContact O-CE2 3.23Å; L261-Y299 WeakPolarHBondContact O-CE2 3.46Å; L261-Y299 PolarHBondContact O-OH 3.09Å; I295-Y299 HydrophobicContact CD1-CD2 3.76Å; I295-Y299 HydrophobicContact CD1-CE2 3.76Å; I295-Y299 HydrophobicContact CG1-CD2 4.07Å; I295-Y299 PolarHBondContact O-N 2.77Å
300	G	92.6	Very high	76.9	Confident	20 Å²	20	80.7 Å²	80.7	21%	0.206	43%	0.433	C	S	.	.			trans	89.2	170.8	-168.6	0	0	0	0	0	112.8	P173 Q296	P173-G300 VanDerWaalsContact CD-O 3.29Å; P173-G300 WeakPolarHBondContact CD-O 3.25Å; Q296-G300 WeakPolarHBondContact O-CA 3.27Å; Q296-G300 PolarHBondContact O-N 2.91Å
301	P	93.2	Very high	74.7	Confident	83 Å²	83	86.2 Å²	86.2	54%	0.539	47%	0.47	S	S	.	.	S	Bend	trans	-68	166.5	170.1	30.9	-35.3	0	0	0	111.1
302	P	90.4	Very high	72.1	Confident	54 Å²	54	93.8 Å²	93.8	35%	0.351	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-53.5	144.5	171.4	-21.5	33.4	0	0	0	110.7	K170 V171 E304	K170-P302 WeakPolarHBondContact O-CG 3.46Å; V171-P302 WeakPolarHBondContact O-CD 3.38Å; P302-E304 PolarHBondContact O-N 2.88Å
303	A	80.2	Confident	69.5	Low	80 Å²	80	97.6 Å²	97.6	66%	0.661	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-62.7	126.9	172.9	0	0	0	0	0	108.5
304	E	69.6	Low	67.1	Low	173 Å²	173	100.7 Å²	100.7	81%	0.808	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-57.4	139.4	172.7	-69.8	-147.2	161.7	0	0	109.4	P302 L306	P302-E304 PolarHBondContact O-N 2.88Å; E304-L306 PolarHBondContact O-N 3.07Å
305	P	56.3	Low	64.8	Low	126 Å²	126	108.1 Å²	108.1	82%	0.818	60%	0.599	S	S	*	*			trans	-58.2	110.2	170.9	-14.9	27.2	0	0	0	107.2	E307	P305-E307 PolarHBondContact O-N 3.09Å
306	L	43.4	Very low	62.2	Low	166 Å²	166	114 Å²	114	87%	0.869	64%	0.637	S	S	*	*			trans	-54.1	113.5	172	-64.9	173.7	0	0	0	106.8	E304	E304-L306 PolarHBondContact O-N 3.07Å
307	E	37.8	Very low	59.7	Low	174 Å²	174	117.6 Å²	117.6	81%	0.813	66%	0.663	S	S	*	*			trans	-50.1	131.3	169	-98.8	-169.4	152.4	0	0	107.6	P305 T309	P305-E307 PolarHBondContact O-N 3.09Å; E307-T309 PolarHBondContact O-N 3.22Å
308	P	48	Very low	57.3	Low	123 Å²	123	124.2 Å²	124.2	80%	0.799	69%	0.685	S	S	*	*			trans	-61.5	103.4	-173.8	-18.8	29.4	0	0	0	109.5	R310	P308-R310 PolarHBondContact O-N 2.78Å; P308-R310 VanDerWaalsContact O-N 3.11Å
309	T	41.8	Very low	54.7	Low	139 Å²	139	133 Å²	133	85%	0.853	72%	0.717	S	S	*	*			trans	-60.5	120.2	166.1	-55.2	0	0	0	0	106.3	E307	E307-T309 PolarHBondContact O-N 3.22Å
310	R	39.6	Very low	52.2	Low	226 Å²	226	139.4 Å²	139.4	85%	0.853	75%	0.752	S	S	*	*			trans	-40.3	135.5	-175.5	-82.9	176.9	171.7	-175.2	-2.5	112.2	P308 L312	P308-R310 PolarHBondContact O-N 2.78Å; P308-R310 VanDerWaalsContact O-N 3.11Å; R310-L312 PolarHBondContact O-N 3.04Å
311	P	41.1	Very low	49.3	Very low	129 Å²	129	145.1 Å²	145.1	84%	0.838	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-66.4	128	-176.1	24.3	-30.9	0	0	0	111.5
312	L	39.4	Very low	47	Very low	162 Å²	162	146.7 Å²	146.7	85%	0.848	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-77.6	152.5	165.6	-79.1	160.5	0	0	0	110.3	R310	R310-L312 PolarHBondContact O-N 3.04Å
313	P	40.4	Very low	44.8	Very low	120 Å²	120	149.6 Å²	149.6	78%	0.779	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.9	138.4	-157.4	-15.6	29.6	0	0	0	114.3
314	T	40.7	Very low	42.8	Very low	132 Å²	132	150.5 Å²	150.5	81%	0.81	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.5	125.6	179.6	-39.3	0	0	0	0	111.9
315	L	42.5	Very low	41.1	Very low	156 Å²	156	151.1 Å²	151.1	82%	0.817	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-91	142.2	161.5	-71.2	175.7	0	0	0	110
316	P	38.1	Very low	40.3	Very low	123 Å²	123	155.5 Å²	155.5	80%	0.799	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.3	135.7	-157.9	27.8	-33.7	0	0	0	114
317	V	42.7	Very low	39.9	Very low	133 Å²	133	157.7 Å²	157.7	81%	0.806	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.2	123.7	175.9	176.2	0	0	0	0	110.4	R319	V317-R319 PolarHBondContact O-N 3.01Å
318	R	40.2	Very low	40.1	Very low	238 Å²	238	157 Å²	157	90%	0.898	81%	0.808	S	S	*	*			trans	-72.7	109	170.5	-119.7	178.3	175.5	-178.9	-1.6	109.4	I320	R318-I320 PolarHBondContact O-N 3.48Å
319	R	37.2	Very low	39.6	Very low	203 Å²	203	160.2 Å²	160.2	77%	0.766	81%	0.813	S	S	*	*			trans	-61.6	121	168.3	-87.1	172.1	175.3	-177.3	7.1	110.2	V317 H321	V317-R319 PolarHBondContact O-N 3.01Å; R319-H321 WeakPolarHBondContact CD-NE2 3.5Å
320	I	41.7	Very low	39.8	Very low	168 Å²	168	164.9 Å²	164.9	86%	0.862	82%	0.815	S	S	*	*			trans	-94	103	156.3	-59.8	175.9	0	0	0	106	R318	R318-I320 PolarHBondContact O-N 3.48Å
321	H	31.8	Very low	39.7	Very low	139 Å²	139	162.8 Å²	162.8	64%	0.644	81%	0.814	S	S	*	*			trans	-87.4	128.7	165	-78.3	-70	0	0	0	109	R319	R319-H321 WeakPolarHBondContact CD-NE2 3.5Å
322	S	43.7	Very low	39.7	Very low	117 Å²	117	162.7 Å²	162.7	82%	0.818	81%	0.814	S	S	*	*			trans	-171.2	153.1	143.1	-108.1	0	0	0	0	112.1
323	P	45	Very low	39.8	Very low	115 Å²	115	166.3 Å²	166.3	75%	0.747	82%	0.816	S	S	*	*				-124.9	177.5	-125.3	40.1	-26.7	0	0	0	114.3
324	S	38.5	Very low	39.7	Very low	98 Å²	98	166 Å²	166	69%	0.685	81%	0.814	S	S	*	*			trans	86.9	93.2	152.3	-161.3	0	0	0	0	116.9
325	E	33.7	Very low	39.7	Very low	186 Å²	186	165.9 Å²	165.9	87%	0.869	82%	0.816	S	S	*	*				11.4	107.5	119.5	-62.1	-179.2	142.4	0	0	116.5
326	R	38.6	Very low	39.7	Very low	218 Å²	218	170.1 Å²	170.1	82%	0.823	82%	0.821	S	S	*	*			trans	-131.4	98.9	144.8	-78.6	-169.3	176.3	-177.6	-1	109.9	H328	R326-H328 PolarHBondContact O-N 3.28Å
327	K	35	Very low	39.8	Very low	213 Å²	213	169.6 Å²	169.6	93%	0.926	82%	0.818	S	S	*	*			trans	-69.1	98.6	168.9	-154.3	177.3	-173.4	-177.3	0	107.3	E329	K327-E329 PolarHBondContact O-N 3.29Å
328	H	43.2	Very low	39.8	Very low	159 Å²	159	169.2 Å²	169.2	74%	0.736	82%	0.818	S	S	*	*			trans	-80.6	98.7	174.5	-89	-71.6	0	0	0	110.1	R326 R330	R326-H328 PolarHBondContact O-N 3.28Å; H328-R330 PolarHBondContact O-N 3.39Å
329	E	35.8	Very low	40.1	Very low	190 Å²	190	166.6 Å²	166.6	89%	0.888	82%	0.821	S	S	*	*			trans	-59.1	111	163.9	-143.8	161.7	-175.2	0	0	108.8	K327 Q331	K327-E329 PolarHBondContact O-N 3.29Å; E329-Q331 PolarHBondContact O-N 3.11Å
330	R	46.4	Very low	40.1	Very low	238 Å²	238	160 Å²	160	90%	0.898	82%	0.816	S	S	*	*			trans	-87	106.6	179.5	-78.4	-176.1	177.1	-172.6	0.7	109.6	H328	H328-R330 PolarHBondContact O-N 3.39Å
331	Q	38.3	Very low	40.1	Very low	181 Å²	181	160.1 Å²	160.1	85%	0.846	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-61	149.1	166.8	-77.6	172.3	-31.9	0	0	112.1	E329	E329-Q331 PolarHBondContact O-N 3.11Å
332	P	40.2	Very low	40.3	Very low	128 Å²	128	164 Å²	164	83%	0.831	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76	144.6	-174.1	28.1	-31.9	0	0	0	113.6
333	R	42.4	Very low	40	Very low	237 Å²	237	163.9 Å²	163.9	89%	0.894	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.5	147.9	-176.1	-73.8	-179.5	178.6	-173.4	-0.6	112.8
334	P	38.7	Very low	40	Very low	114 Å²	114	163.9 Å²	163.9	74%	0.74	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79	160.3	178.9	1.1	16.4	0	0	0	113
335	P	40.2	Very low	40.5	Very low	130 Å²	130	163.5 Å²	163.5	84%	0.844	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-78.2	140.2	-177	-0.3	18.1	0	0	0	111.8
336	R	43.2	Very low	41.1	Very low	245 Å²	245	161.1 Å²	161.1	93%	0.925	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-92.2	148.3	171.6	-101.9	-174.2	-165.7	-144.7	1.6	112.3
337	P	40.3	Very low	42	Very low	112 Å²	112	153.7 Å²	153.7	73%	0.727	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.4	172.8	-171.6	-5.8	25.6	0	0	0	114.2
338	P	42	Very low	43.8	Very low	125 Å²	125	146.5 Å²	146.5	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-70.4	151.3	-166.5	-13.5	28	0	0	0	115.2	G340	P338-G340 PolarHBondContact O-N 3.49Å
339	L	45.1	Very low	45.6	Very low	182 Å²	182	144.7 Å²	144.7	95%	0.953	78%	0.783	S	S	*	*			trans	-54.8	108.9	177.3	-90.7	78.2	0	0	0	112.3
340	G	38.7	Very low	48.1	Very low	65 Å²	65	136.8 Å²	136.8	67%	0.67	75%	0.748	S	S	*	*			trans	-95.1	132.4	156.5	0	0	0	0	0	110	P338 R342	P338-G340 PolarHBondContact O-N 3.49Å; G340-R342 PolarHBondContact O-N 3.38Å
341	D	40.6	Very low	50.2	Low	171 Å²	171	129.4 Å²	129.4	91%	0.914	73%	0.726	S	S	*	*			trans	-51.2	106	-174.2	-73.2	-51.4	0	0	0	113.2
342	R	36.1	Very low	52.7	Low	221 Å²	221	121.3 Å²	121.3	83%	0.834	69%	0.688	S	S	*	*			trans	-89.4	129.3	177.7	-142.2	172.3	-170.1	-178.2	1.1	109.4	G340	G340-R342 PolarHBondContact O-N 3.38Å
343	P	38.9	Very low	55.2	Low	114 Å²	114	116 Å²	116	74%	0.74	65%	0.654	S	S	*	*			trans	-58	145.3	172.4	-19.1	29.7	0	0	0	110.7	T345	P343-T345 PolarHBondContact O-N 3.25Å; P343-T345 VanDerWaalsContact O-N 3.07Å
344	S	43.7	Very low	57.3	Low	114 Å²	114	107 Å²	107	80%	0.797	62%	0.624	S	S	*	*			trans	-30.8	107.2	-176	-47.5	0	0	0	0	113.6
345	T	48.5	Very low	59.8	Low	91 Å²	91	101.6 Å²	101.6	56%	0.558	59%	0.588	S	S	*	*			trans	-55.1	130.8	177.3	-39.9	0	0	0	0	110.1	P343 G347 A348	P343-T345 PolarHBondContact O-N 3.25Å; P343-T345 VanDerWaalsContact O-N 3.07Å; T345-G347 PolarHBondContact O-N 2.86Å; T345-A348 PolarHBondContact O-N 2.87Å; T345-A348 VanDerWaalsContact O-N 3.11Å
346	P	46.7	Very low	62.2	Low	136 Å²	136	99.1 Å²	99.1	88%	0.883	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	99.3	172.4	-16.3	28.7	0	0	0	109
347	G	57.7	Low	64.7	Low	62 Å²	62	87.4 Å²	87.4	64%	0.639	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.9	-6	-175.7	0	0	0	0	0	115.8	T345	T345-G347 PolarHBondContact O-N 2.86Å
348	A	72.5	Confident	67.3	Low	62 Å²	62	82.9 Å²	82.9	51%	0.512	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-63.1	139.1	173.1	0	0	0	0	0	111.4	T345 P350	T345-A348 PolarHBondContact O-N 2.87Å; T345-A348 VanDerWaalsContact O-N 3.11Å; A348-P350 WeakPolarHBondContact O-CD 3.38Å
349	K	81.7	Confident	70	Confident	121 Å²	121	77 Å²	77	53%	0.526	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-57.6	118.8	176.3	-171.1	170	169.5	174	0	109.2	Y387 P388	K349-Y387 WeakPolarHBondContact CE-O 3.15Å; K349-Y387 PolarHBondContact NZ-O 3.31Å; K349-P388 HydrophobicContact CD-CG 4.07Å; K349-P388 VanDerWaalsContact CE-N 3.28Å; K349-P388 HydrophobicContact CG-CG 3.58Å
350	P	88.9	Confident	72.4	Confident	24 Å²	24	68.4 Å²	68.4	16%	0.156	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-68.4	153.7	-175.8	25.9	-34	0	0	0	111.5	A348 W374 W376	A348-P350 WeakPolarHBondContact O-CD 3.38Å; P350-W374 VanDerWaalsContact CD-CG 3.49Å; P350-W374 VanDerWaalsContact CD-NE1 3.34Å; P350-W374 HydrophobicContact CG-CB 3.78Å; P350-W374 HydrophobicContact CG-CD2 4.26Å; P350-W374 HydrophobicContact CG-CG 3.54Å; P350-W376 HydrophobicContact CB-CH2 3.96Å; P350-W376 HydrophobicContact CB-CZ2 4.1Å; P350-W376 HydrophobicContact CG-CH2 3.49Å; P350-W376 VanDerWaalsContact CG-CH2 3.49Å; P350-W376 HydrophobicContact CG-CZ2 3.7Å; P350-W376 WeakPolarHBondContact O-CZ2 3.5Å
351	N	89.9	Confident	75	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.444	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-89.4	132.6	169.2	-171.6	-24.4	0	0	0	109.4	C353 D354	N351-C353 PolarHBondContact O-N 3.1Å; N351-C353 WeakPolarHBondContact OD1-CB 3.22Å; N351-C353 PolarHBondContact OD1-N 2.93Å; N351-D354 WeakPolarHBondContact O-CB 3.4Å; N351-D354 PolarHBondContact O-N 2.9Å
352	I	91.3	Very high	77.4	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.056	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-59.9	-34.2	176.3	-162.9	171.5	0	0	0	111.9	D354 G355 F357 W376 L378 V383 M540	I352-D354 PolarHBondContact O-N 2.92Å; I352-G355 PolarHBondContact O-N 3.01Å; I352-G355 VanDerWaalsContact O-N 3.15Å; I352-F357 HydrophobicContact CG1-CE1 3.98Å; I352-F357 HydrophobicContact CG1-CZ 3.94Å; I352-F357 WeakPolarHBondContact O-CE1 3.31Å; I352-F357 VanDerWaalsContact O-CZ 3.22Å; I352-F357 WeakPolarHBondContact O-CZ 3.07Å; I352-W376 HydrophobicContact CB-CD2 4.29Å; I352-W376 HydrophobicContact CB-CG 4.47Å; I352-W376 HydrophobicContact CB-CZ2 4.25Å; I352-W376 HydrophobicContact CD1-CB 4.05Å; I352-W376 HydrophobicContact CD1-CD2 4.19Å; I352-W376 HydrophobicContact CD1-CG 3.82Å; I352-W376 HydrophobicContact CG1-CD2 4.16Å; I352-W376 HydrophobicContact CG1-CG 4.29Å; I352-L378 HydrophobicContact CD1-CD1 3.78Å; I352-L378 HydrophobicContact CD1-CD2 3.86Å; I352-L378 HydrophobicContact CD1-CG 4.22Å; I352-V383 HydrophobicContact CD1-CG2 3.84Å; I352-V383 HydrophobicContact CG2-CG2 4.21Å; I352-M540 HydrophobicContact CD1-CB 4.25Å; I352-M540 HydrophobicContact CD1-CG 4.42Å; I352-M540 HydrophobicContact CD1-SD 3.68Å; I352-M540 HydrophobicContact CG1-CB 4.29Å; I352-M540 HydrophobicContact CG1-CG 4.37Å; I352-M540 HydrophobicContact CG1-SD 4.04Å
353	C	91.6	Very high	79.7	Confident	16 Å²	16	49 Å²	49	11%	0.108	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-73.3	-5.3	-179.5	-59.5	0	0	0	0	114.1	N351 G355 L536 C542	N351-C353 PolarHBondContact O-N 3.1Å; N351-C353 WeakPolarHBondContact OD1-CB 3.22Å; N351-C353 PolarHBondContact OD1-N 2.93Å; C353-G355 PolarHBondContact O-N 3.45Å; C353-L536 WeakPolarHBondContact O-CD1 3.19Å; C353-C542 WeakPolarHBondContact CA-SG 3.24Å; C353-C542 HydrophobicContact CB-CB 3.91Å; C353-C542 WeakPolarHBondContact CB-SG 3.41Å; C353-C542 WeakPolarHBondContact SG-CB 3.43Å; C353-C542 CovalentContact SG-SG 2.03Å; C353-C542 PolarHBondContact SG-SG 3.16Å
354	D	87.8	Confident	81.7	Confident	48 Å²	48	47.9 Å²	47.9	26%	0.257	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-69.1	-24.5	169.5	-69.9	-27.4	0	0	0	111.6	N351 I352 R515 R550	N351-D354 WeakPolarHBondContact O-CB 3.4Å; N351-D354 PolarHBondContact O-N 2.9Å; I352-D354 PolarHBondContact O-N 2.92Å; D354-R515 PolarHBondContact O-NH1 2.84Å; D354-R550 IonicContact OD1-CZ 3.86Å; D354-R550 IonicContact OD1-NH1 2.72Å; D354-R550 PolarHBondContact OD1-NH1 2.9Å; D354-R550 IonicContact OD2-NH1 3.4Å
355	G	89.7	Confident	83.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.273	C	S	.	.			trans	65	-155.8	-175.9	0	0	0	0	0	113.4	I352 C353 K371	I352-G355 PolarHBondContact O-N 3.01Å; I352-G355 VanDerWaalsContact O-N 3.15Å; C353-G355 PolarHBondContact O-N 3.45Å; G355-K371 WeakPolarHBondContact O-CE 3.41Å; G355-K371 PolarHBondContact O-NZ 3.44Å
356	N	91.2	Very high	85	Confident	78 Å²	78	41.1 Å²	41.1	42%	0.417	25%	0.25	S	S	.	.			trans	55.5	54.8	-174.6	-58.8	-28.4	0	0	0	111.9
357	F	95.6	Very high	87.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.211	C	C	.	.			trans	-69.6	150.4	175.2	-47.3	-56.5	0	0	0	109.6	I352 V360 V369 F370 K371 Y512 I535 L536 M540	I352-F357 HydrophobicContact CG1-CE1 3.98Å; I352-F357 HydrophobicContact CG1-CZ 3.94Å; I352-F357 WeakPolarHBondContact O-CE1 3.31Å; I352-F357 VanDerWaalsContact O-CZ 3.22Å; I352-F357 WeakPolarHBondContact O-CZ 3.07Å; F357-V360 HydrophobicContact CB-CG2 4.35Å; F357-V360 HydrophobicContact CD2-CG2 4.11Å; F357-V369 HydrophobicContact CB-CG1 4.01Å; F357-V369 HydrophobicContact CD1-CG1 3.26Å; F357-V369 HydrophobicContact CD2-CG1 3.75Å; F357-V369 HydrophobicContact CE1-CG1 3.52Å; F357-V369 HydrophobicContact CE2-CG1 3.98Å; F357-V369 HydrophobicContact CG-CG1 3.38Å; F357-V369 HydrophobicContact CZ-CG1 3.86Å; F357-F370 CarbonylContact C-O 3.58Å; F357-F370 WeakPolarHBondContact CA-O 3.2Å; F357-F370 WeakPolarHBondContact CB-O 3.21Å; F357-K371 HydrophobicContact CD1-CB 4.29Å; F357-K371 HydrophobicContact CD1-CD 4.28Å; F357-Y512 HydrophobicContact CB-CE1 3.88Å; F357-Y512 HydrophobicContact CD2-CE1 4.17Å; F357-Y512 HydrophobicContact CD2-CE2 4.16Å; F357-Y512 AromaticContact CD2-CZ 3.66Å; F357-Y512 WeakPolarHBondContact CD2-OH 3.31Å; F357-Y512 PolarHBondContact N-OH 2.84Å; F357-I535 HydrophobicContact CE2-CG2 4.33Å; F357-L536 HydrophobicContact CE2-CD2 3.81Å; F357-L536 HydrophobicContact CZ-CD2 3.69Å; F357-M540 HydrophobicContact CE2-CE 3.93Å; F357-M540 HydrophobicContact CE2-CG 4.06Å; F357-M540 HydrophobicContact CE2-SD 4.01Å; F357-M540 HydrophobicContact CZ-CG 3.99Å; F357-M540 HydrophobicContact CZ-SD 3.99Å
358	N	96	Very high	88.8	Confident	16 Å²	16	32.3 Å²	32.3	9%	0.086	18%	0.181	C	C	.	.	S	Bend	trans	-69.5	-47	171.5	-53.1	130.7	0	0	0	110	F370 K371 D372 R401 I402	N358-F370 PolarHBondContact N-O 3.28Å; N358-K371 VanDerWaalsContact OD1-CA 3.31Å; N358-K371 WeakPolarHBondContact OD1-CA 3.49Å; N358-D372 PolarHBondContact OD1-N 2.72Å; N358-R401 PolarHBondContact ND2-NE 3.31Å; N358-R401 VanDerWaalsContact ND2-NE 3.12Å; N358-R401 PolarHBondContact ND2-NH2 2.77Å; N358-I402 VanDerWaalsContact CB-O 3.27Å; N358-I402 WeakPolarHBondContact CB-O 3.14Å
359	T	97	Very high	89.9	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	162.2	174.5	-161.6	0	0	0	0	112	F370 I402 D403 Q498	T359-F370 HydrophobicContact CG2-CB 4.08Å; T359-F370 HydrophobicContact CG2-CD2 3.89Å; T359-F370 HydrophobicContact CG2-CG 4.26Å; T359-F370 PolarHBondContact O-N 3.38Å; T359-I402 HydrophobicContact CG2-CD1 3.98Å; T359-I402 HydrophobicContact CG2-CG1 4.22Å; T359-D403 WeakPolarHBondContact CB-O 3.41Å; T359-Q498 WeakPolarHBondContact CA-O 3.13Å; T359-Q498 WeakPolarHBondContact CB-O 3.36Å; T359-Q498 PolarHBondContact OG1-O 2.94Å
360	V	96	Very high	90.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.6	173.4	-178.2	0	0	0	0	107.2	F357 M367 F368 V369 F501 Y512	F357-V360 HydrophobicContact CB-CG2 4.35Å; F357-V360 HydrophobicContact CD2-CG2 4.11Å; V360-M367 HydrophobicContact CG1-CE 4.27Å; V360-M367 HydrophobicContact CG1-CG 3.9Å; V360-M367 HydrophobicContact CG1-SD 4Å; V360-F368 WeakPolarHBondContact CA-O 3.33Å; V360-V369 HydrophobicContact CG1-CG2 4.18Å; V360-V369 HydrophobicContact CG2-CG1 4.35Å; V360-V369 HydrophobicContact CG2-CG2 4.26Å; V360-F501 HydrophobicContact CG1-CD1 3.97Å; V360-F501 HydrophobicContact CG1-CE1 3.97Å; V360-Y512 HydrophobicContact CG2-CD1 3.91Å; V360-Y512 HydrophobicContact CG2-CE1 4.19Å; V360-Y512 HydrophobicContact CG2-CG 4.3Å
361	A	93.9	Very high	90.9	Very high	2 Å²	2	23.5 Å²	23.5	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.6	-178.3	0	0	0	0	0	110.6	F363 F368 A405	A361-F363 HydrophobicContact CB-CE1 4.49Å; A361-F363 HydrophobicContact CB-CE2 4.14Å; A361-F363 HydrophobicContact CB-CZ 4Å; A361-F368 PolarHBondContact N-O 3.39Å; A361-F368 PolarHBondContact O-N 3.34Å; A361-A405 HydrophobicContact CB-CB 4.26Å
362	L	90	Very high	91	Very high	49 Å²	49	23.2 Å²	23.2	26%	0.257	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	125.2	172.1	-162.3	81.6	0	0	0	108.3	E366 M367 F501	L362-E366 WeakPolarHBondContact CA-O 3.25Å; L362-E366 VanDerWaalsContact CD1-C 3.48Å; L362-E366 VanDerWaalsContact CD1-O 3.28Å; L362-E366 WeakPolarHBondContact CD1-O 3.45Å; L362-M367 HydrophobicContact CD1-CB 4.48Å; L362-F501 HydrophobicContact CB-CB 4.15Å
363	F	85.6	Confident	91.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.2	172.3	-59.7	-58.3	0	0	0	108.5	A361 G365 E366 F368 F370 A405 E407 F413 F415	A361-F363 HydrophobicContact CB-CE1 4.49Å; A361-F363 HydrophobicContact CB-CE2 4.14Å; A361-F363 HydrophobicContact CB-CZ 4Å; F363-G365 PolarHBondContact O-N 3.45Å; F363-E366 PolarHBondContact N-O 3.1Å; F363-E366 PolarHBondContact O-N 2.88Å; F363-F368 HydrophobicContact CB-CD2 3.93Å; F363-F368 HydrophobicContact CB-CE2 3.76Å; F363-F368 HydrophobicContact CB-CZ 4.44Å; F363-F368 HydrophobicContact CD2-CB 3.89Å; F363-F368 HydrophobicContact CD2-CD1 4.02Å; F363-F368 AromaticContact CD2-CD2 3.53Å; F363-F368 HydrophobicContact CD2-CD2 3.53Å; F363-F368 HydrophobicContact CD2-CE1 4.39Å; F363-F368 AromaticContact CD2-CE2 3.97Å; F363-F368 HydrophobicContact CD2-CE2 3.97Å; F363-F368 AromaticContact CD2-CG 3.55Å; F363-F368 HydrophobicContact CD2-CG 3.55Å; F363-F368 HydrophobicContact CD2-CZ 4.36Å; F363-F368 HydrophobicContact CE2-CB 4.09Å; F363-F368 HydrophobicContact CE2-CG 4.16Å; F363-F368 HydrophobicContact CG-CD2 4.17Å; F363-F368 HydrophobicContact CG-CE2 4.38Å; F363-F370 AromaticContact CE2-CE2 3.94Å; F363-F370 HydrophobicContact CE2-CE2 3.94Å; F363-F370 AromaticContact CE2-CZ 3.86Å; F363-F370 HydrophobicContact CE2-CZ 3.86Å; F363-A405 HydrophobicContact CE1-CB 4.49Å; F363-A405 HydrophobicContact CZ-CB 3.73Å; F363-E407 HydrophobicContact CD1-CB 4.16Å; F363-F413 HydrophobicContact CB-CD1 4.28Å; F363-F413 HydrophobicContact CB-CE1 3.85Å; F363-F413 HydrophobicContact CB-CZ 4.17Å; F363-F413 HydrophobicContact CD1-CB 4.29Å; F363-F413 AromaticContact CD1-CD1 3.34Å; F363-F413 HydrophobicContact CD1-CD1 3.34Å; F363-F413 AromaticContact CD1-CE1 3.8Å; F363-F413 HydrophobicContact CD1-CE1 3.8Å; F363-F413 AromaticContact CD1-CG 3.88Å; F363-F413 HydrophobicContact CD1-CG 3.88Å; F363-F413 HydrophobicContact CE1-CB 3.92Å; F363-F413 AromaticContact CE1-CD1 3.84Å; F363-F413 HydrophobicContact CE1-CD1 3.84Å; F363-F413 HydrophobicContact CE1-CG 4.03Å; F363-F413 AromaticContact CG-CD1 4Å; F363-F413 HydrophobicContact CG-CD1 4Å; F363-F413 HydrophobicContact CG-CE1 4.08Å; F363-F413 HydrophobicContact CG-CG 4.42Å; F363-F413 HydrophobicContact CZ-CB 4.45Å; F363-F415 HydrophobicContact CE2-CE1 4.06Å; F363-F415 HydrophobicContact CE2-CZ 4.18Å; F363-F415 AromaticContact CZ-CE1 3.77Å; F363-F415 HydrophobicContact CZ-CE1 3.77Å; F363-F415 AromaticContact CZ-CZ 3.91Å; F363-F415 HydrophobicContact CZ-CZ 3.91Å
364	R	81.3	Confident	91.2	Very high	90 Å²	90	28.6 Å²	28.6	34%	0.34	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	34.3	177.5	-56.8	-63.3	178.1	93.5	3.6	113.8	F201 E366 E407 G411 F413	F201-R364 HydrophobicContact CD2-CB 4.31Å; F201-R364 HydrophobicContact CD2-CG 4.24Å; F201-R364 HydrophobicContact CE2-CG 4.1Å; R364-E366 VanDerWaalsContact C-N 3.34Å; R364-E366 PolarHBondContact O-N 3.31Å; R364-E407 VanDerWaalsContact CD-OE1 3.28Å; R364-E407 WeakPolarHBondContact CD-OE1 3.39Å; R364-E407 PolarHBondContact N-OE2 2.89Å; R364-E407 IonicContact NE-OE1 3.39Å; R364-E407 PolarHBondContact NE-OE1 3.48Å; R364-G411 PolarHBondContact NH2-O 3.47Å; R364-F413 HydrophobicContact CG-CE1 4.19Å; R364-F413 HydrophobicContact CG-CZ 3.99Å
365	G	80.8	Confident	91.5	Very high	44 Å²	44	26.3 Å²	26.3	45%	0.454	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	1.7	178.3	0	0	0	0	0	115.9	F363	F363-G365 PolarHBondContact O-N 3.45Å
366	E	80.6	Confident	91.7	Very high	19 Å²	19	26.5 Å²	26.5	9%	0.089	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	150.9	174.7	-65.2	-172.4	161.8	0	0	112	F201 L362 F363 R364 F368 R377	F201-E366 WeakPolarHBondContact CB-OE2 3.14Å; F201-E366 PolarHBondContact N-OE1 3.03Å; L362-E366 WeakPolarHBondContact CA-O 3.25Å; L362-E366 VanDerWaalsContact CD1-C 3.48Å; L362-E366 VanDerWaalsContact CD1-O 3.28Å; L362-E366 WeakPolarHBondContact CD1-O 3.45Å; F363-E366 PolarHBondContact N-O 3.1Å; F363-E366 PolarHBondContact O-N 2.88Å; R364-E366 VanDerWaalsContact C-N 3.34Å; R364-E366 PolarHBondContact O-N 3.31Å; E366-F368 HydrophobicContact CB-CE2 4.01Å; E366-F368 WeakPolarHBondContact O-CD2 3.33Å; E366-R377 VanDerWaalsContact CD-NH2 3.32Å; E366-R377 IonicContact OE1-NH2 3.13Å; E366-R377 PolarHBondContact OE1-NH2 3.22Å; E366-R377 VanDerWaalsContact OE1-NH2 3.12Å; E366-R377 IonicContact OE2-CZ 3.08Å; E366-R377 IonicContact OE2-NE 3.21Å; E366-R377 PolarHBondContact OE2-NE 2.65Å; E366-R377 IonicContact OE2-NH2 2.6Å; E366-R377 PolarHBondContact OE2-NH2 2.83Å
367	M	89.4	Confident	91.5	Very high	13 Å²	13	23.2 Å²	23.2	6%	0.064	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.2	-179.4	176.8	175.1	-70.6	0	0	110.9	V360 L362 V369 R377 L378 F501 W539 M540	V360-M367 HydrophobicContact CG1-CE 4.27Å; V360-M367 HydrophobicContact CG1-CG 3.9Å; V360-M367 HydrophobicContact CG1-SD 4Å; L362-M367 HydrophobicContact CD1-CB 4.48Å; M367-V369 HydrophobicContact CG-CG2 4.04Å; M367-V369 HydrophobicContact SD-CG2 4.23Å; M367-R377 WeakPolarHBondContact O-CA 3.04Å; M367-L378 HydrophobicContact CB-CB 4.24Å; M367-L378 PolarHBondContact N-O 2.73Å; M367-L378 PolarHBondContact O-N 2.79Å; M367-F501 HydrophobicContact CE-CD1 4.41Å; M367-F501 HydrophobicContact CE-CD2 4.33Å; M367-F501 HydrophobicContact CE-CE1 3.88Å; M367-F501 HydrophobicContact CE-CE2 3.79Å; M367-F501 HydrophobicContact CE-CZ 3.53Å; M367-W539 HydrophobicContact CE-CD2 3.92Å; M367-W539 HydrophobicContact CE-CE3 3.2Å; M367-W539 HydrophobicContact CE-CZ3 3.57Å; M367-W539 HydrophobicContact SD-CB 4.46Å; M367-W539 HydrophobicContact SD-CE3 4.2Å; M367-M540 HydrophobicContact SD-CE 3.89Å
368	F	93.4	Very high	91	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.3	174.7	-73.2	-110.1	0	0	0	110	F201 V360 A361 F363 E366 F370 F375 W376 R377 W395	F201-F368 HydrophobicContact CD1-CE2 4.43Å; F201-F368 AromaticContact CD1-CZ 3.61Å; F201-F368 HydrophobicContact CD1-CZ 3.61Å; F201-F368 HydrophobicContact CE1-CE1 4.34Å; F201-F368 AromaticContact CE1-CZ 3.68Å; F201-F368 HydrophobicContact CE1-CZ 3.68Å; V360-F368 WeakPolarHBondContact CA-O 3.33Å; A361-F368 PolarHBondContact N-O 3.39Å; A361-F368 PolarHBondContact O-N 3.34Å; F363-F368 HydrophobicContact CB-CD2 3.93Å; F363-F368 HydrophobicContact CB-CE2 3.76Å; F363-F368 HydrophobicContact CB-CZ 4.44Å; F363-F368 HydrophobicContact CD2-CB 3.89Å; F363-F368 HydrophobicContact CD2-CD1 4.02Å; F363-F368 AromaticContact CD2-CD2 3.53Å; F363-F368 HydrophobicContact CD2-CD2 3.53Å; F363-F368 HydrophobicContact CD2-CE1 4.39Å; F363-F368 AromaticContact CD2-CE2 3.97Å; F363-F368 HydrophobicContact CD2-CE2 3.97Å; F363-F368 AromaticContact CD2-CG 3.55Å; F363-F368 HydrophobicContact CD2-CG 3.55Å; F363-F368 HydrophobicContact CD2-CZ 4.36Å; F363-F368 HydrophobicContact CE2-CB 4.09Å; F363-F368 HydrophobicContact CE2-CG 4.16Å; F363-F368 HydrophobicContact CG-CD2 4.17Å; F363-F368 HydrophobicContact CG-CE2 4.38Å; E366-F368 HydrophobicContact CB-CE2 4.01Å; E366-F368 WeakPolarHBondContact O-CD2 3.33Å; F368-F370 HydrophobicContact CB-CD2 4.41Å; F368-F370 HydrophobicContact CB-CE2 3.55Å; F368-F370 HydrophobicContact CB-CZ 3.96Å; F368-F370 HydrophobicContact CD1-CZ 4.37Å; F368-F375 AromaticContact CD1-CD2 3.86Å; F368-F375 HydrophobicContact CD1-CD2 3.86Å; F368-F375 AromaticContact CD1-CE2 3.99Å; F368-F375 HydrophobicContact CD1-CE2 3.99Å; F368-F375 HydrophobicContact CE1-CD2 4.31Å; F368-F375 AromaticContact CE1-CE2 3.96Å; F368-F375 HydrophobicContact CE1-CE2 3.96Å; F368-W376 WeakPolarHBondContact CA-O 3.49Å; F368-R377 HydrophobicContact CD1-CG 3.66Å; F368-R377 HydrophobicContact CD2-CG 4.39Å; F368-R377 VanDerWaalsContact CE1-CD 3.45Å; F368-R377 HydrophobicContact CE1-CG 3.29Å; F368-R377 HydrophobicContact CE2-CG 4.06Å; F368-R377 HydrophobicContact CG-CG 4.22Å; F368-R377 VanDerWaalsContact CZ-CD 3.45Å; F368-R377 HydrophobicContact CZ-CG 3.51Å; F368-W395 AromaticContact CD1-CH2 3.75Å; F368-W395 HydrophobicContact CD1-CH2 3.75Å; F368-W395 HydrophobicContact CD1-CZ2 4.35Å; F368-W395 AromaticContact CE1-CH2 3.77Å; F368-W395 HydrophobicContact CE1-CH2 3.77Å; F368-W395 HydrophobicContact CE1-CZ2 4.07Å
369	V	95.8	Very high	90.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125	-177.7	178.2	0	0	0	0	107.8	F357 V360 M367 F375 W376 L378 M540	F357-V369 HydrophobicContact CB-CG1 4.01Å; F357-V369 HydrophobicContact CD1-CG1 3.26Å; F357-V369 HydrophobicContact CD2-CG1 3.75Å; F357-V369 HydrophobicContact CE1-CG1 3.52Å; F357-V369 HydrophobicContact CE2-CG1 3.98Å; F357-V369 HydrophobicContact CG-CG1 3.38Å; F357-V369 HydrophobicContact CZ-CG1 3.86Å; V360-V369 HydrophobicContact CG1-CG2 4.18Å; V360-V369 HydrophobicContact CG2-CG1 4.35Å; V360-V369 HydrophobicContact CG2-CG2 4.26Å; M367-V369 HydrophobicContact CG-CG2 4.04Å; M367-V369 HydrophobicContact SD-CG2 4.23Å; V369-F375 CarbonylContact O-C 3.59Å; V369-F375 WeakPolarHBondContact O-CA 3.27Å; V369-F375 WeakPolarHBondContact O-CB 3.37Å; V369-W376 HydrophobicContact CB-CB 4.47Å; V369-W376 HydrophobicContact CB-CE3 4.36Å; V369-W376 HydrophobicContact CG1-CE3 4.21Å; V369-W376 PolarHBondContact N-O 3.19Å; V369-W376 PolarHBondContact O-N 3.49Å; V369-L378 HydrophobicContact CB-CD1 4.22Å; V369-L378 HydrophobicContact CG2-CD1 3.63Å; V369-M540 HydrophobicContact CG2-CE 3.72Å; V369-M540 HydrophobicContact CG2-SD 3.8Å
370	F	96.6	Very high	89.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.5	-174.8	-64.7	-91.9	0	0	0	110.8	F357 N358 T359 F363 F368 F375 I391 W395 I402 F415	F357-F370 CarbonylContact C-O 3.58Å; F357-F370 WeakPolarHBondContact CA-O 3.2Å; F357-F370 WeakPolarHBondContact CB-O 3.21Å; N358-F370 PolarHBondContact N-O 3.28Å; T359-F370 HydrophobicContact CG2-CB 4.08Å; T359-F370 HydrophobicContact CG2-CD2 3.89Å; T359-F370 HydrophobicContact CG2-CG 4.26Å; T359-F370 PolarHBondContact O-N 3.38Å; F363-F370 AromaticContact CE2-CE2 3.94Å; F363-F370 HydrophobicContact CE2-CE2 3.94Å; F363-F370 AromaticContact CE2-CZ 3.86Å; F363-F370 HydrophobicContact CE2-CZ 3.86Å; F368-F370 HydrophobicContact CB-CD2 4.41Å; F368-F370 HydrophobicContact CB-CE2 3.55Å; F368-F370 HydrophobicContact CB-CZ 3.96Å; F368-F370 HydrophobicContact CD1-CZ 4.37Å; F370-F375 HydrophobicContact CD1-CB 3.61Å; F370-F375 HydrophobicContact CD1-CG 4.48Å; F370-F375 HydrophobicContact CE1-CB 3.78Å; F370-F375 HydrophobicContact CE1-CG 4.21Å; F370-F375 HydrophobicContact CG-CB 4.26Å; F370-I391 HydrophobicContact CD1-CD1 3.74Å; F370-I391 HydrophobicContact CD1-CG1 4.02Å; F370-I391 HydrophobicContact CE1-CD1 4.5Å; F370-I391 HydrophobicContact CE1-CG1 4.35Å; F370-W395 HydrophobicContact CE1-CE3 4.44Å; F370-W395 AromaticContact CE1-CH2 3.99Å; F370-W395 HydrophobicContact CE1-CH2 3.99Å; F370-W395 AromaticContact CE1-CZ3 3.66Å; F370-W395 HydrophobicContact CE1-CZ3 3.66Å; F370-W395 AromaticContact CZ-CH2 3.9Å; F370-W395 HydrophobicContact CZ-CH2 3.9Å; F370-W395 HydrophobicContact CZ-CZ3 4.07Å; F370-I402 HydrophobicContact CB-CD1 4.12Å; F370-I402 HydrophobicContact CB-CG1 4.07Å; F370-I402 HydrophobicContact CD1-CD1 3.46Å; F370-I402 VanDerWaalsContact CD1-CD1 3.46Å; F370-I402 HydrophobicContact CD1-CG1 3.98Å; F370-I402 HydrophobicContact CD2-CD1 3.87Å; F370-I402 HydrophobicContact CE1-CD1 3.74Å; F370-I402 HydrophobicContact CE2-CD1 4.11Å; F370-I402 HydrophobicContact CG-CD1 3.54Å; F370-I402 HydrophobicContact CG-CG1 4.02Å; F370-I402 HydrophobicContact CZ-CD1 4.06Å; F370-F415 HydrophobicContact CE1-CE1 4.33Å; F370-F415 AromaticContact CZ-CE1 3.99Å; F370-F415 HydrophobicContact CZ-CE1 3.99Å
371	K	95.1	Very high	88.8	Confident	22 Å²	22	37 Å²	37	10%	0.096	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	121.5	176.8	-171.3	177.6	172	173.4	0	111.9	G355 F357 N358 R373 W374 W376	G355-K371 WeakPolarHBondContact O-CE 3.41Å; G355-K371 PolarHBondContact O-NZ 3.44Å; F357-K371 HydrophobicContact CD1-CB 4.29Å; F357-K371 HydrophobicContact CD1-CD 4.28Å; N358-K371 VanDerWaalsContact OD1-CA 3.31Å; N358-K371 WeakPolarHBondContact OD1-CA 3.49Å; K371-R373 PolarHBondContact O-N 2.92Å; K371-R373 VanDerWaalsContact O-N 3.11Å; K371-W374 CarbonylContact C-O 3.49Å; K371-W374 PolarHBondContact N-O 2.98Å; K371-W374 WeakPolarHBondContact O-CA 3.19Å; K371-W374 WeakPolarHBondContact O-CB 3.39Å; K371-W374 PolarHBondContact O-N 3.3Å; K371-W374 VanDerWaalsContact O-O 3.07Å; K371-W376 HydrophobicContact CB-CH2 3.93Å; K371-W376 HydrophobicContact CB-CZ3 3.57Å; K371-W376 HydrophobicContact CD-CH2 4.26Å
372	D	92.5	Very high	88.2	Confident	76 Å²	76	46 Å²	46	41%	0.406	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-113	-176.1	-55.6	-49.4	0	0	0	109.8	N358 R401	N358-D372 PolarHBondContact OD1-N 2.72Å; D372-R401 VanDerWaalsContact O-CA 3.29Å; D372-R401 WeakPolarHBondContact O-CA 3.39Å; D372-R401 WeakPolarHBondContact O-CB 3.39Å
373	R	93.5	Very high	88	Confident	105 Å²	105	46.3 Å²	46.3	40%	0.396	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.3	176.7	75.1	-174.2	-61.5	162.6	-2.4	115.7	K371 Q390 I391 E392 A400	K371-R373 PolarHBondContact O-N 2.92Å; K371-R373 VanDerWaalsContact O-N 3.11Å; R373-Q390 WeakPolarHBondContact O-CA 3.44Å; R373-I391 PolarHBondContact O-N 3.42Å; R373-E392 IonicContact CZ-OE1 3.46Å; R373-E392 IonicContact NE-OE1 2.77Å; R373-E392 IonicContact NH2-OE1 3.28Å; R373-E392 PolarHBondContact NH2-OE1 3.26Å; R373-A400 VanDerWaalsContact CA-O 3.23Å; R373-A400 WeakPolarHBondContact CA-O 3.32Å; R373-A400 HydrophobicContact CB-CB 4.02Å
374	W	93	Very high	87.7	Confident	36 Å²	36	48.2 Å²	48.2	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	151.5	-168.7	-59	94.7	0	0	0	110.8	P350 K371 W376 P388 M389 Q390	P350-W374 VanDerWaalsContact CD-CG 3.49Å; P350-W374 VanDerWaalsContact CD-NE1 3.34Å; P350-W374 HydrophobicContact CG-CB 3.78Å; P350-W374 HydrophobicContact CG-CD2 4.26Å; P350-W374 HydrophobicContact CG-CG 3.54Å; K371-W374 CarbonylContact C-O 3.49Å; K371-W374 PolarHBondContact N-O 2.98Å; K371-W374 WeakPolarHBondContact O-CA 3.19Å; K371-W374 WeakPolarHBondContact O-CB 3.39Å; K371-W374 PolarHBondContact O-N 3.3Å; K371-W374 VanDerWaalsContact O-O 3.07Å; W374-W376 HydrophobicContact CB-CH2 4.28Å; W374-W376 HydrophobicContact CB-CZ3 4.38Å; W374-P388 HydrophobicContact CB-CB 4.23Å; W374-P388 HydrophobicContact CE3-CB 4.16Å; W374-M389 WeakPolarHBondContact CA-O 3.33Å; W374-Q390 HydrophobicContact CD2-CG 4.46Å; W374-Q390 HydrophobicContact CE3-CG 3.94Å; W374-Q390 HydrophobicContact CH2-CG 3.91Å; W374-Q390 HydrophobicContact CZ2-CG 4.42Å; W374-Q390 HydrophobicContact CZ3-CG 3.65Å
375	F	94.6	Very high	87.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.2	168.4	76.8	-77	0	0	0	111.4	F368 V369 F370 R377 Y387 P388 M389 I391 F394 W395	F368-F375 AromaticContact CD1-CD2 3.86Å; F368-F375 HydrophobicContact CD1-CD2 3.86Å; F368-F375 AromaticContact CD1-CE2 3.99Å; F368-F375 HydrophobicContact CD1-CE2 3.99Å; F368-F375 HydrophobicContact CE1-CD2 4.31Å; F368-F375 AromaticContact CE1-CE2 3.96Å; F368-F375 HydrophobicContact CE1-CE2 3.96Å; V369-F375 CarbonylContact O-C 3.59Å; V369-F375 WeakPolarHBondContact O-CA 3.27Å; V369-F375 WeakPolarHBondContact O-CB 3.37Å; F370-F375 HydrophobicContact CD1-CB 3.61Å; F370-F375 HydrophobicContact CD1-CG 4.48Å; F370-F375 HydrophobicContact CE1-CB 3.78Å; F370-F375 HydrophobicContact CE1-CG 4.21Å; F370-F375 HydrophobicContact CG-CB 4.26Å; F375-R377 HydrophobicContact CE2-CG 4.37Å; F375-Y387 HydrophobicContact CD2-CD1 4.44Å; F375-Y387 AromaticContact CD2-CE1 3.9Å; F375-Y387 HydrophobicContact CD2-CE1 3.9Å; F375-Y387 HydrophobicContact CE1-CE1 4.42Å; F375-Y387 HydrophobicContact CE2-CD1 4.28Å; F375-Y387 AromaticContact CE2-CE1 3.34Å; F375-Y387 HydrophobicContact CE2-CE1 3.34Å; F375-Y387 AromaticContact CZ-CE1 3.64Å; F375-Y387 HydrophobicContact CZ-CE1 3.64Å; F375-Y387 WeakPolarHBondContact O-CD1 3.38Å; F375-P388 WeakPolarHBondContact O-CA 3.33Å; F375-P388 VanDerWaalsContact O-CB 3.26Å; F375-P388 WeakPolarHBondContact O-CB 3.37Å; F375-M389 HydrophobicContact CD1-CB 4.34Å; F375-M389 VanDerWaalsContact CD1-O 3.25Å; F375-M389 WeakPolarHBondContact CD1-O 3.32Å; F375-M389 HydrophobicContact CE1-CB 3.71Å; F375-M389 HydrophobicContact CE1-CG 4.11Å; F375-M389 HydrophobicContact CE1-SD 4.48Å; F375-M389 HydrophobicContact CZ-CB 4.07Å; F375-M389 HydrophobicContact CZ-SD 4.4Å; F375-M389 PolarHBondContact N-O 3.4Å; F375-M389 PolarHBondContact O-N 2.97Å; F375-I391 HydrophobicContact CB-CG1 4.04Å; F375-I391 HydrophobicContact CD1-CB 4.5Å; F375-I391 HydrophobicContact CD1-CG1 3.78Å; F375-I391 HydrophobicContact CG-CG1 4.3Å; F375-F394 HydrophobicContact CE1-CB 3.64Å; F375-F394 HydrophobicContact CE1-CG 4.09Å; F375-F394 HydrophobicContact CE2-CD1 4.48Å; F375-F394 HydrophobicContact CZ-CB 3.62Å; F375-F394 AromaticContact CZ-CD1 3.81Å; F375-F394 HydrophobicContact CZ-CD1 3.81Å; F375-F394 AromaticContact CZ-CD2 3.92Å; F375-F394 HydrophobicContact CZ-CD2 3.92Å; F375-F394 HydrophobicContact CZ-CE1 4.38Å; F375-F394 HydrophobicContact CZ-CE2 4.47Å; F375-F394 AromaticContact CZ-CG 3.52Å; F375-F394 HydrophobicContact CZ-CG 3.52Å; F375-W395 AromaticContact CD1-CZ3 3.76Å; F375-W395 HydrophobicContact CD1-CZ3 3.76Å; F375-W395 AromaticContact CD2-CH2 3.83Å; F375-W395 HydrophobicContact CD2-CH2 3.83Å; F375-W395 AromaticContact CD2-CZ3 3.74Å; F375-W395 HydrophobicContact CD2-CZ3 3.74Å; F375-W395 HydrophobicContact CE1-CE3 4.27Å; F375-W395 HydrophobicContact CE1-CH2 4.42Å; F375-W395 AromaticContact CE1-CZ3 3.63Å; F375-W395 HydrophobicContact CE1-CZ3 3.63Å; F375-W395 AromaticContact CE2-CH2 3.53Å; F375-W395 HydrophobicContact CE2-CH2 3.53Å; F375-W395 AromaticContact CE2-CZ3 3.56Å; F375-W395 HydrophobicContact CE2-CZ3 3.56Å; F375-W395 HydrophobicContact CG-CH2 4.36Å; F375-W395 AromaticContact CG-CZ3 3.81Å; F375-W395 HydrophobicContact CG-CZ3 3.81Å; F375-W395 HydrophobicContact CZ-CE3 4.36Å; F375-W395 AromaticContact CZ-CH2 3.88Å; F375-W395 HydrophobicContact CZ-CH2 3.88Å; F375-W395 AromaticContact CZ-CZ3 3.52Å; F375-W395 HydrophobicContact CZ-CZ3 3.52Å
376	W	93.6	Very high	86.7	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.7	174.1	-62.3	-106.6	0	0	0	109.5	P350 I352 F368 V369 K371 W374 L378 P388	P350-W376 HydrophobicContact CB-CH2 3.96Å; P350-W376 HydrophobicContact CB-CZ2 4.1Å; P350-W376 HydrophobicContact CG-CH2 3.49Å; P350-W376 VanDerWaalsContact CG-CH2 3.49Å; P350-W376 HydrophobicContact CG-CZ2 3.7Å; P350-W376 WeakPolarHBondContact O-CZ2 3.5Å; I352-W376 HydrophobicContact CB-CD2 4.29Å; I352-W376 HydrophobicContact CB-CG 4.47Å; I352-W376 HydrophobicContact CB-CZ2 4.25Å; I352-W376 HydrophobicContact CD1-CB 4.05Å; I352-W376 HydrophobicContact CD1-CD2 4.19Å; I352-W376 HydrophobicContact CD1-CG 3.82Å; I352-W376 HydrophobicContact CG1-CD2 4.16Å; I352-W376 HydrophobicContact CG1-CG 4.29Å; F368-W376 WeakPolarHBondContact CA-O 3.49Å; V369-W376 HydrophobicContact CB-CB 4.47Å; V369-W376 HydrophobicContact CB-CE3 4.36Å; V369-W376 HydrophobicContact CG1-CE3 4.21Å; V369-W376 PolarHBondContact N-O 3.19Å; V369-W376 PolarHBondContact O-N 3.49Å; K371-W376 HydrophobicContact CB-CH2 3.93Å; K371-W376 HydrophobicContact CB-CZ3 3.57Å; K371-W376 HydrophobicContact CD-CH2 4.26Å; W374-W376 HydrophobicContact CB-CH2 4.28Å; W374-W376 HydrophobicContact CB-CZ3 4.38Å; W376-L378 HydrophobicContact CB-CD1 3.71Å; W376-P388 HydrophobicContact CD2-CB 3.85Å; W376-P388 HydrophobicContact CD2-CG 4.37Å; W376-P388 HydrophobicContact CG-CB 4.08Å; W376-P388 HydrophobicContact CZ2-CB 3.9Å; W376-P388 HydrophobicContact CZ2-CG 3.73Å; W376-P388 VanDerWaalsContact NE1-CG 3.34Å
377	R	86.7	Confident	86.9	Confident	9 Å²	9	53.5 Å²	53.5	3%	0.034	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.4	162.1	-78.3	176.5	56.3	-133.5	-12	110.5	F201 E366 M367 F368 F375 V383 Q384 Y387	F201-R377 PolarHBondContact O-NH1 2.68Å; F201-R377 PolarHBondContact O-NH2 3.37Å; E366-R377 VanDerWaalsContact CD-NH2 3.32Å; E366-R377 IonicContact OE1-NH2 3.13Å; E366-R377 PolarHBondContact OE1-NH2 3.22Å; E366-R377 VanDerWaalsContact OE1-NH2 3.12Å; E366-R377 IonicContact OE2-CZ 3.08Å; E366-R377 IonicContact OE2-NE 3.21Å; E366-R377 PolarHBondContact OE2-NE 2.65Å; E366-R377 IonicContact OE2-NH2 2.6Å; E366-R377 PolarHBondContact OE2-NH2 2.83Å; M367-R377 WeakPolarHBondContact O-CA 3.04Å; F368-R377 HydrophobicContact CD1-CG 3.66Å; F368-R377 HydrophobicContact CD2-CG 4.39Å; F368-R377 VanDerWaalsContact CE1-CD 3.45Å; F368-R377 HydrophobicContact CE1-CG 3.29Å; F368-R377 HydrophobicContact CE2-CG 4.06Å; F368-R377 HydrophobicContact CG-CG 4.22Å; F368-R377 VanDerWaalsContact CZ-CD 3.45Å; F368-R377 HydrophobicContact CZ-CG 3.51Å; F375-R377 HydrophobicContact CE2-CG 4.37Å; R377-V383 WeakPolarHBondContact O-CA 3.28Å; R377-Q384 HydrophobicContact CB-CB 4.32Å; R377-Q384 HydrophobicContact CB-CG 4.11Å; R377-Q384 PolarHBondContact O-N 3.49Å; R377-Y387 HydrophobicContact CB-CD1 4.48Å; R377-Y387 HydrophobicContact CB-CD2 4.11Å; R377-Y387 HydrophobicContact CB-CE1 4.25Å; R377-Y387 HydrophobicContact CB-CE2 3.88Å; R377-Y387 HydrophobicContact CB-CG 4.43Å; R377-Y387 VanDerWaalsContact CD-CZ 3.44Å; R377-Y387 WeakPolarHBondContact CD-OH 3.2Å; R377-Y387 HydrophobicContact CG-CE1 4.01Å; R377-Y387 HydrophobicContact CG-CE2 4.17Å
378	L	86.2	Confident	86.9	Confident	6 Å²	6	53.5 Å²	53.5	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.9	179.4	-67.5	84	0	0	0	110.7	I352 M367 V369 W376 R382 V383 W539 M540	I352-L378 HydrophobicContact CD1-CD1 3.78Å; I352-L378 HydrophobicContact CD1-CD2 3.86Å; I352-L378 HydrophobicContact CD1-CG 4.22Å; M367-L378 HydrophobicContact CB-CB 4.24Å; M367-L378 PolarHBondContact N-O 2.73Å; M367-L378 PolarHBondContact O-N 2.79Å; V369-L378 HydrophobicContact CB-CD1 4.22Å; V369-L378 HydrophobicContact CG2-CD1 3.63Å; W376-L378 HydrophobicContact CB-CD1 3.71Å; L378-R382 VanDerWaalsContact CA-O 3.31Å; L378-R382 WeakPolarHBondContact CA-O 3.28Å; L378-V383 HydrophobicContact CG-CG2 4.36Å; L378-W539 WeakPolarHBondContact CD2-O 3.27Å; L378-M540 HydrophobicContact CD2-SD 3.66Å
379	R	79.3	Confident	86.4	Confident	103 Å²	103	55.9 Å²	55.9	39%	0.389	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.9	170.1	-169.3	180	178.9	-158.6	4	107.7	N381 R382	R379-N381 VanDerWaalsContact C-N 3.27Å; R379-N381 PolarHBondContact O-N 2.79Å; R379-R382 PolarHBondContact N-O 2.9Å; R379-R382 PolarHBondContact O-N 2.89Å
380	N	79.1	Confident	86	Confident	124 Å²	124	58.4 Å²	58.4	66%	0.663	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	45.3	178.2	-56.6	-25.7	0	0	0	113.7	R382	N380-R382 PolarHBondContact O-N 3.27Å
381	N	83.4	Confident	85.6	Confident	75 Å²	75	58.4 Å²	58.4	40%	0.401	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	24.3	-177.7	-56.9	-14.5	0	0	0	114.9	R379 D538 W539 G541	R379-N381 VanDerWaalsContact C-N 3.27Å; R379-N381 PolarHBondContact O-N 2.79Å; N381-D538 PolarHBondContact ND2-O 3.02Å; N381-W539 WeakPolarHBondContact CA-O 3.3Å; N381-W539 PolarHBondContact OD1-O 3.03Å; N381-G541 VanDerWaalsContact O-CA 3.31Å; N381-G541 WeakPolarHBondContact O-CA 3.48Å
382	R	81.7	Confident	85.1	Confident	190 Å²	190	61.2 Å²	61.2	72%	0.717	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.3	175.1	-64.1	-174.8	-179.2	-138	2.8	111.3	L378 R379 N380 Q384	L378-R382 VanDerWaalsContact CA-O 3.31Å; L378-R382 WeakPolarHBondContact CA-O 3.28Å; R379-R382 PolarHBondContact N-O 2.9Å; R379-R382 PolarHBondContact O-N 2.89Å; N380-R382 PolarHBondContact O-N 3.27Å; R382-Q384 PolarHBondContact O-N 3.32Å; R382-Q384 PolarHBondContact O-NE2 3.41Å; R382-Q384 VanDerWaalsContact O-NE2 3.14Å
383	V	85.7	Confident	84.5	Confident	57 Å²	57	62.6 Å²	62.6	35%	0.345	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.6	170	177.1	0	0	0	0	108.8	I352 R377 L378	I352-V383 HydrophobicContact CD1-CG2 3.84Å; I352-V383 HydrophobicContact CG2-CG2 4.21Å; R377-V383 WeakPolarHBondContact O-CA 3.28Å; L378-V383 HydrophobicContact CG-CG2 4.36Å
384	Q	78.6	Confident	83.8	Confident	39 Å²	39	58.7 Å²	58.7	18%	0.182	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.6	157.2	177.7	-60.8	-53.4	-78.7	0	0	111.9	R377 R382 Y387	R377-Q384 HydrophobicContact CB-CB 4.32Å; R377-Q384 HydrophobicContact CB-CG 4.11Å; R377-Q384 PolarHBondContact O-N 3.49Å; R382-Q384 PolarHBondContact O-N 3.32Å; R382-Q384 PolarHBondContact O-NE2 3.41Å; R382-Q384 VanDerWaalsContact O-NE2 3.14Å; Q384-Y387 HydrophobicContact CB-CD2 3.88Å; Q384-Y387 HydrophobicContact CB-CE2 4.26Å; Q384-Y387 PolarHBondContact O-N 3.13Å
385	E	72.1	Confident	83.5	Confident	189 Å²	189	57 Å²	57	88%	0.883	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	148	178.4	-169.2	167.6	-177.3	0	0	111.6	Y387	E385-Y387 VanDerWaalsContact C-N 3.28Å; E385-Y387 WeakPolarHBondContact O-CD2 3.34Å; E385-Y387 PolarHBondContact O-N 3.09Å
386	G	70.5	Confident	82.8	Confident	56 Å²	56	62.3 Å²	62.3	58%	0.577	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-12.6	-176.6	0	0	0	0	0	115.5
387	Y	84.1	Confident	82.4	Confident	20 Å²	20	64.9 Å²	64.9	8%	0.078	33%	0.33	C	S	.	.			trans	-89.8	161.3	-178.7	-73.4	-82.6	0	0	0	114.3	K349 F375 R377 Q384 E385 M389	K349-Y387 WeakPolarHBondContact CE-O 3.15Å; K349-Y387 PolarHBondContact NZ-O 3.31Å; F375-Y387 HydrophobicContact CD2-CD1 4.44Å; F375-Y387 AromaticContact CD2-CE1 3.9Å; F375-Y387 HydrophobicContact CD2-CE1 3.9Å; F375-Y387 HydrophobicContact CE1-CE1 4.42Å; F375-Y387 HydrophobicContact CE2-CD1 4.28Å; F375-Y387 AromaticContact CE2-CE1 3.34Å; F375-Y387 HydrophobicContact CE2-CE1 3.34Å; F375-Y387 AromaticContact CZ-CE1 3.64Å; F375-Y387 HydrophobicContact CZ-CE1 3.64Å; F375-Y387 WeakPolarHBondContact O-CD1 3.38Å; R377-Y387 HydrophobicContact CB-CD1 4.48Å; R377-Y387 HydrophobicContact CB-CD2 4.11Å; R377-Y387 HydrophobicContact CB-CE1 4.25Å; R377-Y387 HydrophobicContact CB-CE2 3.88Å; R377-Y387 HydrophobicContact CB-CG 4.43Å; R377-Y387 VanDerWaalsContact CD-CZ 3.44Å; R377-Y387 WeakPolarHBondContact CD-OH 3.2Å; R377-Y387 HydrophobicContact CG-CE1 4.01Å; R377-Y387 HydrophobicContact CG-CE2 4.17Å; Q384-Y387 HydrophobicContact CB-CD2 3.88Å; Q384-Y387 HydrophobicContact CB-CE2 4.26Å; Q384-Y387 PolarHBondContact O-N 3.13Å; E385-Y387 VanDerWaalsContact C-N 3.28Å; E385-Y387 WeakPolarHBondContact O-CD2 3.34Å; E385-Y387 PolarHBondContact O-N 3.09Å; Y387-M389 HydrophobicContact CD1-CB 4.1Å; Y387-M389 HydrophobicContact CE1-CB 3.94Å
388	P	88.8	Confident	82.6	Confident	13 Å²	13	64.8 Å²	64.8	8%	0.084	33%	0.33	C	S	.	.	S	Bend	cis	-66.5	151.7	-12.6	18.8	-31.9	0	0	0	113.7	K349 W374 F375 W376	K349-P388 HydrophobicContact CD-CG 4.07Å; K349-P388 VanDerWaalsContact CE-N 3.28Å; K349-P388 HydrophobicContact CG-CG 3.58Å; W374-P388 HydrophobicContact CB-CB 4.23Å; W374-P388 HydrophobicContact CE3-CB 4.16Å; F375-P388 WeakPolarHBondContact O-CA 3.33Å; F375-P388 VanDerWaalsContact O-CB 3.26Å; F375-P388 WeakPolarHBondContact O-CB 3.37Å; W376-P388 HydrophobicContact CD2-CB 3.85Å; W376-P388 HydrophobicContact CD2-CG 4.37Å; W376-P388 HydrophobicContact CG-CB 4.08Å; W376-P388 HydrophobicContact CZ2-CB 3.9Å; W376-P388 HydrophobicContact CZ2-CG 3.73Å; W376-P388 VanDerWaalsContact NE1-CG 3.34Å
389	M	83.8	Confident	83	Confident	49 Å²	49	66.2 Å²	66.2	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.4	177.2	-170.7	177.2	-62.9	0	0	110	W374 F375 Y387 F394	W374-M389 WeakPolarHBondContact CA-O 3.33Å; F375-M389 HydrophobicContact CD1-CB 4.34Å; F375-M389 VanDerWaalsContact CD1-O 3.25Å; F375-M389 WeakPolarHBondContact CD1-O 3.32Å; F375-M389 HydrophobicContact CE1-CB 3.71Å; F375-M389 HydrophobicContact CE1-CG 4.11Å; F375-M389 HydrophobicContact CE1-SD 4.48Å; F375-M389 HydrophobicContact CZ-CB 4.07Å; F375-M389 HydrophobicContact CZ-SD 4.4Å; F375-M389 PolarHBondContact N-O 3.4Å; F375-M389 PolarHBondContact O-N 2.97Å; Y387-M389 HydrophobicContact CD1-CB 4.1Å; Y387-M389 HydrophobicContact CE1-CB 3.94Å; M389-F394 HydrophobicContact SD-CB 3.94Å; M389-F394 HydrophobicContact SD-CD2 3.66Å; M389-F394 HydrophobicContact SD-CG 4.24Å
390	Q	86.3	Confident	83.5	Confident	54 Å²	54	63 Å²	63	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135	175.8	-62.4	-172.9	27	0	0	110.8	R373 W374 E392 Q393 F394	R373-Q390 WeakPolarHBondContact O-CA 3.44Å; W374-Q390 HydrophobicContact CD2-CG 4.46Å; W374-Q390 HydrophobicContact CE3-CG 3.94Å; W374-Q390 HydrophobicContact CH2-CG 3.91Å; W374-Q390 HydrophobicContact CZ2-CG 4.42Å; W374-Q390 HydrophobicContact CZ3-CG 3.65Å; Q390-E392 PolarHBondContact O-N 2.92Å; Q390-E392 PolarHBondContact OE1-OE1 3.49Å; Q390-Q393 HydrophobicContact CB-CB 4.07Å; Q390-Q393 PolarHBondContact O-N 3.07Å; Q390-F394 PolarHBondContact O-N 2.88Å
391	I	88.1	Confident	84.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-47.7	-176.5	-69.1	164.2	0	0	0	111.1	F370 R373 F375 Q393 F394 W395 L398 A400	F370-I391 HydrophobicContact CD1-CD1 3.74Å; F370-I391 HydrophobicContact CD1-CG1 4.02Å; F370-I391 HydrophobicContact CE1-CD1 4.5Å; F370-I391 HydrophobicContact CE1-CG1 4.35Å; R373-I391 PolarHBondContact O-N 3.42Å; F375-I391 HydrophobicContact CB-CG1 4.04Å; F375-I391 HydrophobicContact CD1-CB 4.5Å; F375-I391 HydrophobicContact CD1-CG1 3.78Å; F375-I391 HydrophobicContact CG-CG1 4.3Å; I391-Q393 VanDerWaalsContact C-N 3.25Å; I391-Q393 PolarHBondContact O-N 2.89Å; I391-F394 PolarHBondContact O-N 3.32Å; I391-W395 HydrophobicContact CG2-CE3 4.16Å; I391-W395 PolarHBondContact O-N 3.15Å; I391-L398 HydrophobicContact CG2-CB 4.41Å; I391-L398 HydrophobicContact CG2-CD2 3.58Å; I391-L398 HydrophobicContact CG2-CG 4.13Å; I391-A400 WeakPolarHBondContact CD1-O 3.43Å
392	E	85	Confident	84.9	Confident	80 Å²	80	59.2 Å²	59.2	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-69.1	-20.1	-178.4	68.9	-167.4	148.7	0	0	114.2	R373 Q390	R373-E392 IonicContact CZ-OE1 3.46Å; R373-E392 IonicContact NE-OE1 2.77Å; R373-E392 IonicContact NH2-OE1 3.28Å; R373-E392 PolarHBondContact NH2-OE1 3.26Å; Q390-E392 PolarHBondContact O-N 2.92Å; Q390-E392 PolarHBondContact OE1-OE1 3.49Å
393	Q	79.7	Confident	85.7	Confident	106 Å²	106	52 Å²	52	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-78	-38.6	176	-177.6	-177.3	-9.3	0	0	110.7	Q390 I391	Q390-Q393 HydrophobicContact CB-CB 4.07Å; Q390-Q393 PolarHBondContact O-N 3.07Å; I391-Q393 VanDerWaalsContact C-N 3.25Å; I391-Q393 PolarHBondContact O-N 2.89Å
394	F	78.8	Confident	86.2	Confident	22 Å²	22	49.3 Å²	49.3	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-84.2	-50.5	-179.7	-168.7	-92.8	0	0	0	111.6	F201 F375 M389 Q390 I391 V427	F201-F394 HydrophobicContact CE1-CE1 4.32Å; F201-F394 HydrophobicContact CE1-CZ 4.03Å; F375-F394 HydrophobicContact CE1-CB 3.64Å; F375-F394 HydrophobicContact CE1-CG 4.09Å; F375-F394 HydrophobicContact CE2-CD1 4.48Å; F375-F394 HydrophobicContact CZ-CB 3.62Å; F375-F394 AromaticContact CZ-CD1 3.81Å; F375-F394 HydrophobicContact CZ-CD1 3.81Å; F375-F394 AromaticContact CZ-CD2 3.92Å; F375-F394 HydrophobicContact CZ-CD2 3.92Å; F375-F394 HydrophobicContact CZ-CE1 4.38Å; F375-F394 HydrophobicContact CZ-CE2 4.47Å; F375-F394 AromaticContact CZ-CG 3.52Å; F375-F394 HydrophobicContact CZ-CG 3.52Å; M389-F394 HydrophobicContact SD-CB 3.94Å; M389-F394 HydrophobicContact SD-CD2 3.66Å; M389-F394 HydrophobicContact SD-CG 4.24Å; Q390-F394 PolarHBondContact O-N 2.88Å; I391-F394 PolarHBondContact O-N 3.32Å; F394-V427 HydrophobicContact CD1-CG1 3.84Å; F394-V427 HydrophobicContact CE1-CG1 3.65Å; F394-V427 HydrophobicContact CE2-CG1 4.46Å; F394-V427 HydrophobicContact CG-CG1 4.37Å; F394-V427 HydrophobicContact CZ-CG1 4.02Å; F394-V427 WeakPolarHBondContact O-CB 3.25Å; F394-V427 WeakPolarHBondContact O-CG1 3.31Å
395	W	86.9	Confident	87.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-101.9	90	173.5	-67.2	-75.3	0	0	0	110.3	F368 F370 F375 I391 G397 L398 F415 F424 E426	F368-W395 AromaticContact CD1-CH2 3.75Å; F368-W395 HydrophobicContact CD1-CH2 3.75Å; F368-W395 HydrophobicContact CD1-CZ2 4.35Å; F368-W395 AromaticContact CE1-CH2 3.77Å; F368-W395 HydrophobicContact CE1-CH2 3.77Å; F368-W395 HydrophobicContact CE1-CZ2 4.07Å; F370-W395 HydrophobicContact CE1-CE3 4.44Å; F370-W395 AromaticContact CE1-CH2 3.99Å; F370-W395 HydrophobicContact CE1-CH2 3.99Å; F370-W395 AromaticContact CE1-CZ3 3.66Å; F370-W395 HydrophobicContact CE1-CZ3 3.66Å; F370-W395 AromaticContact CZ-CH2 3.9Å; F370-W395 HydrophobicContact CZ-CH2 3.9Å; F370-W395 HydrophobicContact CZ-CZ3 4.07Å; F375-W395 AromaticContact CD1-CZ3 3.76Å; F375-W395 HydrophobicContact CD1-CZ3 3.76Å; F375-W395 AromaticContact CD2-CH2 3.83Å; F375-W395 HydrophobicContact CD2-CH2 3.83Å; F375-W395 AromaticContact CD2-CZ3 3.74Å; F375-W395 HydrophobicContact CD2-CZ3 3.74Å; F375-W395 HydrophobicContact CE1-CE3 4.27Å; F375-W395 HydrophobicContact CE1-CH2 4.42Å; F375-W395 AromaticContact CE1-CZ3 3.63Å; F375-W395 HydrophobicContact CE1-CZ3 3.63Å; F375-W395 AromaticContact CE2-CH2 3.53Å; F375-W395 HydrophobicContact CE2-CH2 3.53Å; F375-W395 AromaticContact CE2-CZ3 3.56Å; F375-W395 HydrophobicContact CE2-CZ3 3.56Å; F375-W395 HydrophobicContact CG-CH2 4.36Å; F375-W395 AromaticContact CG-CZ3 3.81Å; F375-W395 HydrophobicContact CG-CZ3 3.81Å; F375-W395 HydrophobicContact CZ-CE3 4.36Å; F375-W395 AromaticContact CZ-CH2 3.88Å; F375-W395 HydrophobicContact CZ-CH2 3.88Å; F375-W395 AromaticContact CZ-CZ3 3.52Å; F375-W395 HydrophobicContact CZ-CZ3 3.52Å; I391-W395 HydrophobicContact CG2-CE3 4.16Å; I391-W395 PolarHBondContact O-N 3.15Å; W395-G397 PolarHBondContact O-N 3.33Å; W395-L398 HydrophobicContact CB-CB 3.74Å; W395-L398 HydrophobicContact CB-CD2 3.82Å; W395-L398 HydrophobicContact CB-CG 4.43Å; W395-L398 HydrophobicContact CD2-CD2 4.28Å; W395-L398 HydrophobicContact CE3-CD2 4.32Å; W395-L398 HydrophobicContact CG-CD2 4.12Å; W395-L398 WeakPolarHBondContact O-CB 3.5Å; W395-L398 PolarHBondContact O-N 3.2Å; W395-L398 VanDerWaalsContact O-N 3.1Å; W395-F415 HydrophobicContact CD2-CZ 4.09Å; W395-F415 AromaticContact CE2-CZ 3.75Å; W395-F415 HydrophobicContact CG-CZ 4.42Å; W395-F415 HydrophobicContact CZ2-CZ 4.09Å; W395-F415 AromaticContact NE1-CZ 3.88Å; W395-F424 HydrophobicContact CB-CD1 4.25Å; W395-F424 HydrophobicContact CB-CE1 3.71Å; W395-F424 HydrophobicContact CB-CZ 3.98Å; W395-F424 AromaticContact CD1-CD1 3.61Å; W395-F424 AromaticContact CD1-CE1 3.98Å; W395-F424 HydrophobicContact CG-CD1 4.3Å; W395-F424 HydrophobicContact CG-CE1 4.25Å; W395-E426 PolarHBondContact NE1-O 3.35Å
396	K	80.1	Confident	88.3	Confident	113 Å²	113	38.9 Å²	38.9	49%	0.491	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.5	178.7	-67.1	179.4	-177	169.8	0	110.4	E190 F424	E190-K396 VanDerWaalsContact CD-NZ 3.25Å; E190-K396 IonicContact OE1-NZ 3.65Å; E190-K396 PolarHBondContact OE1-NZ 2.87Å; E190-K396 IonicContact OE2-NZ 2.78Å; E190-K396 PolarHBondContact OE2-NZ 3.41Å; E190-K396 VanDerWaalsContact OE2-NZ 3.13Å; K396-F424 WeakPolarHBondContact O-CE1 3.44Å
397	G	85.4	Confident	89.3	Confident	58 Å²	58	38.3 Å²	38.3	60%	0.598	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.7	-7.4	-179.7	0	0	0	0	0	115.3	W395 W422	W395-G397 PolarHBondContact O-N 3.33Å; G397-W422 PolarHBondContact O-NE1 3.14Å
398	L	92.1	Very high	89.6	Confident	6 Å²	6	39.8 Å²	39.8	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	-78.2	139.2	171.3	-165.8	66.6	0	0	0	109.7	I391 W395 I402 F415 W422 F424	I391-L398 HydrophobicContact CG2-CB 4.41Å; I391-L398 HydrophobicContact CG2-CD2 3.58Å; I391-L398 HydrophobicContact CG2-CG 4.13Å; W395-L398 HydrophobicContact CB-CB 3.74Å; W395-L398 HydrophobicContact CB-CD2 3.82Å; W395-L398 HydrophobicContact CB-CG 4.43Å; W395-L398 HydrophobicContact CD2-CD2 4.28Å; W395-L398 HydrophobicContact CE3-CD2 4.32Å; W395-L398 HydrophobicContact CG-CD2 4.12Å; W395-L398 WeakPolarHBondContact O-CB 3.5Å; W395-L398 PolarHBondContact O-N 3.2Å; W395-L398 VanDerWaalsContact O-N 3.1Å; L398-I402 HydrophobicContact CD1-CG2 4.24Å; L398-I402 HydrophobicContact CD2-CG2 4.05Å; L398-I402 HydrophobicContact CG-CG2 4.06Å; L398-F415 HydrophobicContact CD1-CB 3.43Å; L398-F415 VanDerWaalsContact CD1-CB 3.43Å; L398-F415 HydrophobicContact CD1-CD1 4.39Å; L398-F415 HydrophobicContact CD1-CD2 3.88Å; L398-F415 HydrophobicContact CD1-CG 3.66Å; L398-F415 HydrophobicContact CD2-CB 4.36Å; L398-F415 HydrophobicContact CD2-CD1 3.79Å; L398-F415 HydrophobicContact CD2-CD2 4.01Å; L398-F415 HydrophobicContact CD2-CE1 4Å; L398-F415 HydrophobicContact CD2-CE2 4.2Å; L398-F415 HydrophobicContact CD2-CG 3.79Å; L398-F415 HydrophobicContact CD2-CZ 4.19Å; L398-F415 HydrophobicContact CG-CG 4.43Å; L398-W422 HydrophobicContact CD1-CB 4.04Å; L398-W422 HydrophobicContact CD1-CD2 4.09Å; L398-W422 HydrophobicContact CD1-CE3 4.4Å; L398-W422 HydrophobicContact CD1-CG 3.94Å; L398-F424 HydrophobicContact CB-CE2 4.01Å; L398-F424 HydrophobicContact CB-CZ 3.74Å; L398-F424 HydrophobicContact CD1-CE2 3.7Å; L398-F424 HydrophobicContact CD1-CZ 4.33Å; L398-F424 HydrophobicContact CG-CE2 4.33Å
399	P	93.1	Very high	89.4	Confident	36 Å²	36	42.6 Å²	42.6	23%	0.234	23%	0.229	C	C	.	.			trans	-61.7	152.1	176.9	26	-35.3	0	0	0	110.8	R401 I402 K417 W422	P399-R401 PolarHBondContact O-N 3.34Å; P399-R401 VanDerWaalsContact O-N 3.08Å; P399-I402 HydrophobicContact CG-CG2 4.44Å; P399-K417 HydrophobicContact CB-CG 4.41Å; P399-K417 HydrophobicContact CG-CB 3.89Å; P399-K417 HydrophobicContact CG-CG 3.96Å; P399-W422 HydrophobicContact CG-CH2 3.8Å; P399-W422 HydrophobicContact CG-CZ2 3.93Å; P399-W422 HydrophobicContact CG-CZ3 4.13Å
400	A	91.2	Very high	89.5	Confident	37 Å²	37	43.4 Å²	43.4	31%	0.306	23%	0.234	S	C	.	.	S	Bend	trans	-53.8	-35.7	-179.1	0	0	0	0	0	112.3	R373 I391	R373-A400 VanDerWaalsContact CA-O 3.23Å; R373-A400 WeakPolarHBondContact CA-O 3.32Å; R373-A400 HydrophobicContact CB-CB 4.02Å; I391-A400 WeakPolarHBondContact CD1-O 3.43Å
401	R	94.9	Very high	89.4	Confident	118 Å²	118	41.5 Å²	41.5	45%	0.445	23%	0.229	S	C	.	.			trans	-122.8	135.7	179.1	-179.2	174.4	170.6	179.3	-2.8	111.1	N358 D372 P399 K417	N358-R401 PolarHBondContact ND2-NE 3.31Å; N358-R401 VanDerWaalsContact ND2-NE 3.12Å; N358-R401 PolarHBondContact ND2-NH2 2.77Å; D372-R401 VanDerWaalsContact O-CA 3.29Å; D372-R401 WeakPolarHBondContact O-CA 3.39Å; D372-R401 WeakPolarHBondContact O-CB 3.39Å; P399-R401 PolarHBondContact O-N 3.34Å; P399-R401 VanDerWaalsContact O-N 3.08Å; R401-K417 WeakPolarHBondContact O-CD 3.37Å; R401-K417 VanDerWaalsContact O-CE 3.23Å; R401-K417 WeakPolarHBondContact O-CE 3.31Å; R401-K417 VanDerWaalsContact O-CG 3.29Å; R401-K417 WeakPolarHBondContact O-CG 3.28Å
402	I	97.1	Very high	89.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.			trans	-116.6	157.8	176.5	62.7	167.1	0	0	0	111.3	N358 T359 F370 L398 P399 A405 F415	N358-I402 VanDerWaalsContact CB-O 3.27Å; N358-I402 WeakPolarHBondContact CB-O 3.14Å; T359-I402 HydrophobicContact CG2-CD1 3.98Å; T359-I402 HydrophobicContact CG2-CG1 4.22Å; F370-I402 HydrophobicContact CB-CD1 4.12Å; F370-I402 HydrophobicContact CB-CG1 4.07Å; F370-I402 HydrophobicContact CD1-CD1 3.46Å; F370-I402 VanDerWaalsContact CD1-CD1 3.46Å; F370-I402 HydrophobicContact CD1-CG1 3.98Å; F370-I402 HydrophobicContact CD2-CD1 3.87Å; F370-I402 HydrophobicContact CE1-CD1 3.74Å; F370-I402 HydrophobicContact CE2-CD1 4.11Å; F370-I402 HydrophobicContact CG-CD1 3.54Å; F370-I402 HydrophobicContact CG-CG1 4.02Å; F370-I402 HydrophobicContact CZ-CD1 4.06Å; L398-I402 HydrophobicContact CD1-CG2 4.24Å; L398-I402 HydrophobicContact CD2-CG2 4.05Å; L398-I402 HydrophobicContact CG-CG2 4.06Å; P399-I402 HydrophobicContact CG-CG2 4.44Å; I402-A405 HydrophobicContact CD1-CB 4.19Å; I402-F415 HydrophobicContact CD1-CD1 3.63Å; I402-F415 HydrophobicContact CD1-CE1 4.1Å; I402-F415 HydrophobicContact CG2-CB 4.43Å; I402-F415 HydrophobicContact CG2-CD1 4.44Å
403	D	97.2	Very high	90	Very high	39 Å²	39	41.2 Å²	41.2	21%	0.209	23%	0.225	C	C	.	.	S	Bend	trans	-105	-36.9	-178.2	-58.5	-30.1	0	0	0	112.3	T359 F416 K417 G418	T359-D403 WeakPolarHBondContact CB-O 3.41Å; D403-F416 PolarHBondContact N-O 3.34Å; D403-K417 IonicContact OD1-NZ 3.55Å; D403-K417 PolarHBondContact OD1-NZ 3.27Å; D403-K417 WeakPolarHBondContact OD2-CA 3.33Å; D403-K417 VanDerWaalsContact OD2-CD 3.24Å; D403-K417 WeakPolarHBondContact OD2-CD 3.31Å; D403-K417 IonicContact OD2-NZ 3.76Å; D403-K417 PolarHBondContact OD2-NZ 2.89Å; D403-G418 PolarHBondContact OD2-N 2.84Å
404	A	97.5	Very high	90.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.4	176	0	0	0	0	0	111	F416 I449 A452	A404-F416 HydrophobicContact CB-CB 4.25Å; A404-F416 HydrophobicContact CB-CD2 4.09Å; A404-F416 PolarHBondContact N-O 2.78Å; A404-F416 PolarHBondContact O-N 3.29Å; A404-I449 HydrophobicContact CB-CG2 4.25Å; A404-A452 HydrophobicContact CB-CB 4.23Å
405	A	97.5	Very high	91.7	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154	173	0	0	0	0	0	112.7	A361 F363 I402 V414 F415	A361-A405 HydrophobicContact CB-CB 4.26Å; F363-A405 HydrophobicContact CE1-CB 4.49Å; F363-A405 HydrophobicContact CZ-CB 3.73Å; I402-A405 HydrophobicContact CD1-CB 4.19Å; A405-V414 CarbonylContact C-O 3.54Å; A405-V414 WeakPolarHBondContact CA-O 3.46Å; A405-V414 WeakPolarHBondContact CB-O 3.3Å; A405-F415 HydrophobicContact CB-CD1 3.54Å; A405-F415 HydrophobicContact CB-CE1 3.9Å; A405-F415 HydrophobicContact CB-CG 4.35Å
406	Y	95.5	Very high	92.2	Very high	8 Å²	8	35.2 Å²	35.2	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	162.7	174.3	77.3	-74.1	0	0	0	112.5	R408 V414 F416 A452 R454 T461 F463 E474	Y406-R408 HydrophobicContact CD2-CG 4.31Å; Y406-R408 HydrophobicContact CE2-CB 4.44Å; Y406-R408 HydrophobicContact CE2-CG 3.42Å; Y406-R408 VanDerWaalsContact CE2-CG 3.42Å; Y406-V414 HydrophobicContact CD1-CB 3.8Å; Y406-V414 HydrophobicContact CD1-CG1 4.41Å; Y406-V414 HydrophobicContact CD1-CG2 4.31Å; Y406-V414 HydrophobicContact CE1-CB 3.45Å; Y406-V414 VanDerWaalsContact CE1-CB 3.45Å; Y406-V414 HydrophobicContact CE1-CG1 3.77Å; Y406-V414 HydrophobicContact CE1-CG2 3.68Å; Y406-V414 HydrophobicContact CE2-CG2 4.44Å; Y406-V414 PolarHBondContact N-O 3.43Å; Y406-V414 PolarHBondContact O-N 3.49Å; Y406-F416 AromaticContact CD1-CE2 3.76Å; Y406-F416 HydrophobicContact CD1-CE2 3.76Å; Y406-F416 HydrophobicContact CD1-CZ 4.47Å; Y406-F416 AromaticContact CE1-CE2 3.61Å; Y406-F416 HydrophobicContact CE1-CE2 3.61Å; Y406-F416 AromaticContact CE1-CZ 3.87Å; Y406-F416 HydrophobicContact CE1-CZ 3.87Å; Y406-A452 HydrophobicContact CD1-CB 3.64Å; Y406-A452 HydrophobicContact CE1-CB 4.37Å; Y406-A452 HydrophobicContact CG-CB 4.21Å; Y406-R454 HydrophobicContact CD2-CB 4.01Å; Y406-T461 HydrophobicContact CD2-CG2 4.09Å; Y406-T461 HydrophobicContact CE1-CG2 4.12Å; Y406-T461 HydrophobicContact CE2-CG2 3.56Å; Y406-F463 AromaticContact CE1-CE1 3.99Å; Y406-F463 HydrophobicContact CE1-CE1 3.99Å; Y406-F463 HydrophobicContact CE1-CZ 4.4Å; Y406-E474 PolarHBondContact OH-OE1 3.41Å
407	E	92.3	Very high	93	Very high	44 Å²	44	32.8 Å²	32.8	21%	0.206	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.9	172.9	-171.5	171.7	177	0	0	111.7	F363 R364 F413 R454	F363-E407 HydrophobicContact CD1-CB 4.16Å; R364-E407 VanDerWaalsContact CD-OE1 3.28Å; R364-E407 WeakPolarHBondContact CD-OE1 3.39Å; R364-E407 PolarHBondContact N-OE2 2.89Å; R364-E407 IonicContact NE-OE1 3.39Å; R364-E407 PolarHBondContact NE-OE1 3.48Å; E407-F413 HydrophobicContact CB-CD1 4.34Å; E407-F413 HydrophobicContact CG-CD1 4.06Å; E407-F413 HydrophobicContact CG-CE1 4.08Å; E407-R454 WeakPolarHBondContact O-CD 3.43Å
408	R	90.5	Very high	93.5	Very high	50 Å²	50	31.1 Å²	31.1	19%	0.189	17%	0.17	C	C	.	.			trans	-81.5	171	177.4	-79.6	177	71.9	-126.4	0.6	112.5	Y406 D410 G411 R412 V414 R454 E474	Y406-R408 HydrophobicContact CD2-CG 4.31Å; Y406-R408 HydrophobicContact CE2-CB 4.44Å; Y406-R408 HydrophobicContact CE2-CG 3.42Å; Y406-R408 VanDerWaalsContact CE2-CG 3.42Å; R408-D410 WeakPolarHBondContact CB-OD1 3.38Å; R408-D410 IonicContact CZ-OD1 2.72Å; R408-D410 IonicContact CZ-OD2 3.59Å; R408-D410 IonicContact NH1-OD1 3.6Å; R408-D410 IonicContact NH1-OD2 3.55Å; R408-D410 PolarHBondContact NH1-OD2 3.34Å; R408-D410 IonicContact NH2-OD2 2.67Å; R408-D410 PolarHBondContact O-N 3.26Å; R408-G411 PolarHBondContact O-N 3.1Å; R408-G411 VanDerWaalsContact O-N 3.09Å; R408-R412 PolarHBondContact N-O 2.84Å; R408-V414 HydrophobicContact CG-CG2 3.47Å; R408-V414 VanDerWaalsContact CG-CG2 3.47Å; R408-R454 VanDerWaalsContact C-NH1 3.29Å; R408-R454 PolarHBondContact O-NH1 3.21Å; R408-R454 VanDerWaalsContact O-NH1 3.14Å; R408-E474 IonicContact CZ-OE2 3.07Å; R408-E474 IonicContact NE-OE1 3.98Å; R408-E474 IonicContact NE-OE2 2.76Å; R408-E474 PolarHBondContact NE-OE2 3.03Å; R408-E474 IonicContact NH2-OE2 2.84Å; R408-E474 PolarHBondContact NH2-OE2 3.32Å
409	A	84.6	Confident	93.6	Very high	72 Å²	72	34.7 Å²	34.7	60%	0.595	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.4	179.5	0	0	0	0	0	115	G411 R454	A409-G411 VanDerWaalsContact C-N 3.27Å; A409-R454 VanDerWaalsContact CA-NH2 3.31Å
410	D	86.3	Confident	93.8	Very high	66 Å²	66	37.5 Å²	37.5	35%	0.353	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7.4	177.4	59	-5.1	0	0	0	113	R408 R412	R408-D410 WeakPolarHBondContact CB-OD1 3.38Å; R408-D410 IonicContact CZ-OD1 2.72Å; R408-D410 IonicContact CZ-OD2 3.59Å; R408-D410 IonicContact NH1-OD1 3.6Å; R408-D410 IonicContact NH1-OD2 3.55Å; R408-D410 PolarHBondContact NH1-OD2 3.34Å; R408-D410 IonicContact NH2-OD2 2.67Å; R408-D410 PolarHBondContact O-N 3.26Å; D410-R412 PolarHBondContact O-N 2.85Å; D410-R412 WeakPolarHBondContact OD1-CB 3.37Å; D410-R412 PolarHBondContact OD1-N 3.18Å; D410-R412 WeakPolarHBondContact OD2-CD 3.37Å; D410-R412 IonicContact OD2-CZ 3.76Å; D410-R412 IonicContact OD2-NE 3.53Å; D410-R412 IonicContact OD2-NH1 2.98Å; D410-R412 PolarHBondContact OD2-NH1 3.42Å
411	G	84.6	Confident	94.1	Very high	14 Å²	14	36.3 Å²	36.3	14%	0.144	19%	0.185	C	C	.	.	S	Bend	trans	74	9.2	-179.4	0	0	0	0	0	114.3	R364 R408 A409	R364-G411 PolarHBondContact NH2-O 3.47Å; R408-G411 PolarHBondContact O-N 3.1Å; R408-G411 VanDerWaalsContact O-N 3.09Å; A409-G411 VanDerWaalsContact C-N 3.27Å
412	R	91.6	Very high	94.2	Very high	75 Å²	75	31.7 Å²	31.7	28%	0.283	17%	0.168	S	C	.	.			trans	-83.7	149.3	173.3	-66.5	-175.1	174.9	82.6	-1.3	111.2	R408 D410 V423 F424 E430	R408-R412 PolarHBondContact N-O 2.84Å; D410-R412 PolarHBondContact O-N 2.85Å; D410-R412 WeakPolarHBondContact OD1-CB 3.37Å; D410-R412 PolarHBondContact OD1-N 3.18Å; D410-R412 WeakPolarHBondContact OD2-CD 3.37Å; D410-R412 IonicContact OD2-CZ 3.76Å; D410-R412 IonicContact OD2-NE 3.53Å; D410-R412 IonicContact OD2-NH1 2.98Å; D410-R412 PolarHBondContact OD2-NH1 3.42Å; R412-V423 HydrophobicContact CB-CG1 3.87Å; R412-V423 HydrophobicContact CG-CG1 4.35Å; R412-F424 WeakPolarHBondContact CA-O 3.15Å; R412-F424 WeakPolarHBondContact CB-O 3.33Å; R412-E430 IonicContact CZ-OE2 2.81Å; R412-E430 VanDerWaalsContact CZ-OE2 3.25Å; R412-E430 IonicContact NE-OE2 3.61Å; R412-E430 PolarHBondContact NE-OE2 3.1Å; R412-E430 IonicContact NH2-OE2 3.67Å; R412-E430 PolarHBondContact NH2-OE2 3.11Å
413	F	93.9	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.7	178.7	-48.6	-41.2	0	0	0	110.1	F201 F363 R364 E407 F415 V423 F424 E426	F201-F413 HydrophobicContact CE2-CZ 4.27Å; F201-F413 AromaticContact CZ-CE2 3.97Å; F201-F413 HydrophobicContact CZ-CE2 3.97Å; F201-F413 HydrophobicContact CZ-CZ 4.07Å; F363-F413 HydrophobicContact CB-CD1 4.28Å; F363-F413 HydrophobicContact CB-CE1 3.85Å; F363-F413 HydrophobicContact CB-CZ 4.17Å; F363-F413 HydrophobicContact CD1-CB 4.29Å; F363-F413 AromaticContact CD1-CD1 3.34Å; F363-F413 HydrophobicContact CD1-CD1 3.34Å; F363-F413 AromaticContact CD1-CE1 3.8Å; F363-F413 HydrophobicContact CD1-CE1 3.8Å; F363-F413 AromaticContact CD1-CG 3.88Å; F363-F413 HydrophobicContact CD1-CG 3.88Å; F363-F413 HydrophobicContact CE1-CB 3.92Å; F363-F413 AromaticContact CE1-CD1 3.84Å; F363-F413 HydrophobicContact CE1-CD1 3.84Å; F363-F413 HydrophobicContact CE1-CG 4.03Å; F363-F413 AromaticContact CG-CD1 4Å; F363-F413 HydrophobicContact CG-CD1 4Å; F363-F413 HydrophobicContact CG-CE1 4.08Å; F363-F413 HydrophobicContact CG-CG 4.42Å; F363-F413 HydrophobicContact CZ-CB 4.45Å; R364-F413 HydrophobicContact CG-CE1 4.19Å; R364-F413 HydrophobicContact CG-CZ 3.99Å; E407-F413 HydrophobicContact CB-CD1 4.34Å; E407-F413 HydrophobicContact CG-CD1 4.06Å; E407-F413 HydrophobicContact CG-CE1 4.08Å; F413-F415 HydrophobicContact CB-CD2 4.46Å; F413-F415 HydrophobicContact CB-CE2 3.66Å; F413-F415 HydrophobicContact CB-CZ 4.04Å; F413-V423 CarbonylContact O-C 3.52Å; F413-V423 WeakPolarHBondContact O-CA 3.47Å; F413-F424 HydrophobicContact CB-CB 4.4Å; F413-F424 PolarHBondContact N-O 3.46Å; F413-F424 PolarHBondContact O-N 3.37Å; F413-E426 WeakPolarHBondContact CD2-O 3.49Å
414	V	96.5	Very high	93.8	Very high	2 Å²	2	30 Å²	30	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.2	177.3	-170.3	0	0	0	0	109	A405 Y406 R408 F416 Y421 W422 V423	A405-V414 CarbonylContact C-O 3.54Å; A405-V414 WeakPolarHBondContact CA-O 3.46Å; A405-V414 WeakPolarHBondContact CB-O 3.3Å; Y406-V414 HydrophobicContact CD1-CB 3.8Å; Y406-V414 HydrophobicContact CD1-CG1 4.41Å; Y406-V414 HydrophobicContact CD1-CG2 4.31Å; Y406-V414 HydrophobicContact CE1-CB 3.45Å; Y406-V414 VanDerWaalsContact CE1-CB 3.45Å; Y406-V414 HydrophobicContact CE1-CG1 3.77Å; Y406-V414 HydrophobicContact CE1-CG2 3.68Å; Y406-V414 HydrophobicContact CE2-CG2 4.44Å; Y406-V414 PolarHBondContact N-O 3.43Å; Y406-V414 PolarHBondContact O-N 3.49Å; R408-V414 HydrophobicContact CG-CG2 3.47Å; R408-V414 VanDerWaalsContact CG-CG2 3.47Å; V414-F416 HydrophobicContact CB-CE2 4.48Å; V414-F416 HydrophobicContact CG1-CE1 4.27Å; V414-F416 HydrophobicContact CG1-CE2 3.81Å; V414-F416 HydrophobicContact CG1-CZ 3.68Å; V414-Y421 HydrophobicContact CG1-CD2 4.08Å; V414-W422 WeakPolarHBondContact CA-O 3.44Å; V414-V423 HydrophobicContact CG1-CG2 4.46Å; V414-V423 HydrophobicContact CG2-CG2 4.27Å
415	F	97.6	Very high	93.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.2	178.5	-61	-86.4	0	0	0	110.1	F363 F370 W395 L398 I402 A405 F413 Y421 W422 F424	F363-F415 HydrophobicContact CE2-CE1 4.06Å; F363-F415 HydrophobicContact CE2-CZ 4.18Å; F363-F415 AromaticContact CZ-CE1 3.77Å; F363-F415 HydrophobicContact CZ-CE1 3.77Å; F363-F415 AromaticContact CZ-CZ 3.91Å; F363-F415 HydrophobicContact CZ-CZ 3.91Å; F370-F415 HydrophobicContact CE1-CE1 4.33Å; F370-F415 AromaticContact CZ-CE1 3.99Å; F370-F415 HydrophobicContact CZ-CE1 3.99Å; W395-F415 HydrophobicContact CD2-CZ 4.09Å; W395-F415 AromaticContact CE2-CZ 3.75Å; W395-F415 HydrophobicContact CG-CZ 4.42Å; W395-F415 HydrophobicContact CZ2-CZ 4.09Å; W395-F415 AromaticContact NE1-CZ 3.88Å; L398-F415 HydrophobicContact CD1-CB 3.43Å; L398-F415 VanDerWaalsContact CD1-CB 3.43Å; L398-F415 HydrophobicContact CD1-CD1 4.39Å; L398-F415 HydrophobicContact CD1-CD2 3.88Å; L398-F415 HydrophobicContact CD1-CG 3.66Å; L398-F415 HydrophobicContact CD2-CB 4.36Å; L398-F415 HydrophobicContact CD2-CD1 3.79Å; L398-F415 HydrophobicContact CD2-CD2 4.01Å; L398-F415 HydrophobicContact CD2-CE1 4Å; L398-F415 HydrophobicContact CD2-CE2 4.2Å; L398-F415 HydrophobicContact CD2-CG 3.79Å; L398-F415 HydrophobicContact CD2-CZ 4.19Å; L398-F415 HydrophobicContact CG-CG 4.43Å; I402-F415 HydrophobicContact CD1-CD1 3.63Å; I402-F415 HydrophobicContact CD1-CE1 4.1Å; I402-F415 HydrophobicContact CG2-CB 4.43Å; I402-F415 HydrophobicContact CG2-CD1 4.44Å; A405-F415 HydrophobicContact CB-CD1 3.54Å; A405-F415 HydrophobicContact CB-CE1 3.9Å; A405-F415 HydrophobicContact CB-CG 4.35Å; F413-F415 HydrophobicContact CB-CD2 4.46Å; F413-F415 HydrophobicContact CB-CE2 3.66Å; F413-F415 HydrophobicContact CB-CZ 4.04Å; F415-Y421 CarbonylContact O-C 3.56Å; F415-Y421 WeakPolarHBondContact O-CA 3.35Å; F415-Y421 WeakPolarHBondContact O-CB 3.41Å; F415-W422 PolarHBondContact N-O 3.41Å; F415-W422 PolarHBondContact O-N 2.77Å; F415-F424 AromaticContact CD2-CD2 3.67Å; F415-F424 HydrophobicContact CD2-CD2 3.67Å; F415-F424 HydrophobicContact CD2-CE2 4.2Å; F415-F424 HydrophobicContact CD2-CG 4.4Å; F415-F424 HydrophobicContact CE2-CB 4.2Å; F415-F424 AromaticContact CE2-CD2 3.86Å; F415-F424 HydrophobicContact CE2-CD2 3.86Å; F415-F424 HydrophobicContact CE2-CG 4.14Å
416	F	97.6	Very high	92.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.8	179.2	-63.5	-79.6	0	0	0	110.6	D403 A404 Y406 V414 Y421 L437 L440 I449 A452 F463	D403-F416 PolarHBondContact N-O 3.34Å; A404-F416 HydrophobicContact CB-CB 4.25Å; A404-F416 HydrophobicContact CB-CD2 4.09Å; A404-F416 PolarHBondContact N-O 2.78Å; A404-F416 PolarHBondContact O-N 3.29Å; Y406-F416 AromaticContact CD1-CE2 3.76Å; Y406-F416 HydrophobicContact CD1-CE2 3.76Å; Y406-F416 HydrophobicContact CD1-CZ 4.47Å; Y406-F416 AromaticContact CE1-CE2 3.61Å; Y406-F416 HydrophobicContact CE1-CE2 3.61Å; Y406-F416 AromaticContact CE1-CZ 3.87Å; Y406-F416 HydrophobicContact CE1-CZ 3.87Å; V414-F416 HydrophobicContact CB-CE2 4.48Å; V414-F416 HydrophobicContact CG1-CE1 4.27Å; V414-F416 HydrophobicContact CG1-CE2 3.81Å; V414-F416 HydrophobicContact CG1-CZ 3.68Å; F416-Y421 HydrophobicContact CE1-CG 4.3Å; F416-L437 HydrophobicContact CD1-CD2 3.64Å; F416-L437 HydrophobicContact CE1-CD2 3.62Å; F416-L440 HydrophobicContact CE1-CD2 3.75Å; F416-L440 HydrophobicContact CZ-CD2 4.05Å; F416-I449 HydrophobicContact CB-CB 4.49Å; F416-I449 HydrophobicContact CD1-CG1 4.14Å; F416-I449 HydrophobicContact CE1-CG1 4.38Å; F416-I449 HydrophobicContact CG-CB 4.34Å; F416-I449 HydrophobicContact CG-CG1 4.41Å; F416-A452 HydrophobicContact CD2-CB 4.07Å; F416-A452 HydrophobicContact CE2-CB 3.71Å; F416-F463 HydrophobicContact CE2-CD1 4.48Å; F416-F463 AromaticContact CE2-CE1 3.85Å; F416-F463 HydrophobicContact CE2-CE1 3.85Å; F416-F463 HydrophobicContact CZ-CD1 4.36Å; F416-F463 AromaticContact CZ-CE1 3.55Å; F416-F463 HydrophobicContact CZ-CE1 3.55Å; F416-F463 AromaticContact CZ-CZ 3.98Å; F416-F463 HydrophobicContact CZ-CZ 3.98Å
417	K	97	Very high	91.3	Very high	61 Å²	61	37 Å²	37	27%	0.265	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	116.1	170.9	-178.8	48.5	170.5	164.7	0	110.1	P399 R401 D403 D419 K420 W422	P399-K417 HydrophobicContact CB-CG 4.41Å; P399-K417 HydrophobicContact CG-CB 3.89Å; P399-K417 HydrophobicContact CG-CG 3.96Å; R401-K417 WeakPolarHBondContact O-CD 3.37Å; R401-K417 VanDerWaalsContact O-CE 3.23Å; R401-K417 WeakPolarHBondContact O-CE 3.31Å; R401-K417 VanDerWaalsContact O-CG 3.29Å; R401-K417 WeakPolarHBondContact O-CG 3.28Å; D403-K417 IonicContact OD1-NZ 3.55Å; D403-K417 PolarHBondContact OD1-NZ 3.27Å; D403-K417 WeakPolarHBondContact OD2-CA 3.33Å; D403-K417 VanDerWaalsContact OD2-CD 3.24Å; D403-K417 WeakPolarHBondContact OD2-CD 3.31Å; D403-K417 IonicContact OD2-NZ 3.76Å; D403-K417 PolarHBondContact OD2-NZ 2.89Å; K417-D419 PolarHBondContact O-N 3.2Å; K417-K420 PolarHBondContact N-O 3.39Å; K417-K420 PolarHBondContact O-N 3.37Å; K417-K420 VanDerWaalsContact O-N 3.1Å; K417-W422 HydrophobicContact CB-CH2 4.09Å; K417-W422 HydrophobicContact CB-CZ3 3.7Å
418	G	94.9	Very high	90.7	Very high	24 Å²	24	38.9 Å²	38.9	25%	0.247	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	-129.4	-175.7	0	0	0	0	0	111.1	D403 K420 G448	D403-G418 PolarHBondContact OD2-N 2.84Å; G418-K420 VanDerWaalsContact C-N 3.27Å; G418-K420 PolarHBondContact O-N 3.06Å; G418-G448 WeakPolarHBondContact O-CA 3.15Å
419	D	95.3	Very high	90.7	Very high	81 Å²	81	38.6 Å²	38.6	43%	0.433	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	9.1	179.6	71.8	-35.5	0	0	0	114.1	K417 S436 L437 R446	K417-D419 PolarHBondContact O-N 3.2Å; D419-S436 CarbonylContact O-C 3.57Å; D419-S436 WeakPolarHBondContact O-CA 3.22Å; D419-L437 PolarHBondContact O-N 3.07Å; D419-R446 VanDerWaalsContact CB-O 3.26Å; D419-R446 WeakPolarHBondContact CB-O 3.41Å
420	K	96.9	Very high	91.1	Very high	94 Å²	94	37.5 Å²	37.5	41%	0.409	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.7	-174.6	-67.2	180	-172.3	-175.5	0	113.1	K417 G418 W422 P434 H435	K417-K420 PolarHBondContact N-O 3.39Å; K417-K420 PolarHBondContact O-N 3.37Å; K417-K420 VanDerWaalsContact O-N 3.1Å; G418-K420 VanDerWaalsContact C-N 3.27Å; G418-K420 PolarHBondContact O-N 3.06Å; K420-W422 HydrophobicContact CB-CH2 3.64Å; K420-W422 HydrophobicContact CB-CZ3 3.65Å; K420-W422 HydrophobicContact CD-CH2 4.34Å; K420-P434 HydrophobicContact CB-CB 4.22Å; K420-P434 HydrophobicContact CD-CB 4.2Å; K420-P434 HydrophobicContact CD-CG 4.19Å; K420-H435 VanDerWaalsContact CA-O 3.31Å; K420-H435 WeakPolarHBondContact CA-O 3.38Å
421	Y	97.1	Very high	91.3	Very high	13 Å²	13	40 Å²	40	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.5	171.9	78.7	-75	0	0	0	112.1	V414 F415 F416 V423 Y433 P434 H435 S436 L440	V414-Y421 HydrophobicContact CG1-CD2 4.08Å; F415-Y421 CarbonylContact O-C 3.56Å; F415-Y421 WeakPolarHBondContact O-CA 3.35Å; F415-Y421 WeakPolarHBondContact O-CB 3.41Å; F416-Y421 HydrophobicContact CE1-CG 4.3Å; Y421-V423 HydrophobicContact CD2-CG2 4.15Å; Y421-V423 HydrophobicContact CE2-CG2 3.97Å; Y421-Y433 AromaticContact CD2-CE1 3.87Å; Y421-Y433 HydrophobicContact CD2-CE1 3.87Å; Y421-Y433 HydrophobicContact CE2-CD1 4.37Å; Y421-Y433 AromaticContact CE2-CE1 3.37Å; Y421-Y433 HydrophobicContact CE2-CE1 3.37Å; Y421-Y433 AromaticContact CZ-CE1 3.74Å; Y421-Y433 WeakPolarHBondContact O-CD1 3.4Å; Y421-P434 WeakPolarHBondContact O-CA 3.37Å; Y421-H435 HydrophobicContact CD1-CB 4.1Å; Y421-H435 WeakPolarHBondContact CD1-O 3.42Å; Y421-H435 HydrophobicContact CE1-CB 3.4Å; Y421-H435 PolarHBondContact N-O 3.05Å; Y421-H435 PolarHBondContact O-N 2.79Å; Y421-H435 VanDerWaalsContact O-N 3.15Å; Y421-S436 WeakPolarHBondContact CE1-O 3.4Å; Y421-L440 HydrophobicContact CD1-CB 4.23Å; Y421-L440 HydrophobicContact CE1-CB 3.75Å; Y421-L440 HydrophobicContact CE2-CD1 3.97Å
422	W	97.3	Very high	91.6	Very high	20 Å²	20	42 Å²	42	8%	0.076	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.5	177.3	-66.1	-111.5	0	0	0	109.2	G397 L398 P399 V414 F415 K417 K420 F424 P434	G397-W422 PolarHBondContact O-NE1 3.14Å; L398-W422 HydrophobicContact CD1-CB 4.04Å; L398-W422 HydrophobicContact CD1-CD2 4.09Å; L398-W422 HydrophobicContact CD1-CE3 4.4Å; L398-W422 HydrophobicContact CD1-CG 3.94Å; P399-W422 HydrophobicContact CG-CH2 3.8Å; P399-W422 HydrophobicContact CG-CZ2 3.93Å; P399-W422 HydrophobicContact CG-CZ3 4.13Å; V414-W422 WeakPolarHBondContact CA-O 3.44Å; F415-W422 PolarHBondContact N-O 3.41Å; F415-W422 PolarHBondContact O-N 2.77Å; K417-W422 HydrophobicContact CB-CH2 4.09Å; K417-W422 HydrophobicContact CB-CZ3 3.7Å; K420-W422 HydrophobicContact CB-CH2 3.64Å; K420-W422 HydrophobicContact CB-CZ3 3.65Å; K420-W422 HydrophobicContact CD-CH2 4.34Å; W422-F424 HydrophobicContact CB-CD2 4.01Å; W422-F424 HydrophobicContact CB-CE2 3.65Å; W422-F424 HydrophobicContact CG-CE2 4.16Å; W422-P434 HydrophobicContact CD2-CB 3.87Å; W422-P434 VanDerWaalsContact CE2-CB 3.43Å; W422-P434 HydrophobicContact CE3-CB 4.41Å; W422-P434 HydrophobicContact CG-CB 4.32Å; W422-P434 HydrophobicContact CH2-CB 4.06Å; W422-P434 HydrophobicContact CH2-CG 4.5Å; W422-P434 HydrophobicContact CZ2-CB 3.55Å; W422-P434 HydrophobicContact CZ2-CG 3.7Å; W422-P434 HydrophobicContact CZ3-CB 4.46Å
423	V	95.7	Very high	91.7	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.6	169.2	-180	0	0	0	0	108.7	R412 F413 V414 Y421 E430 Y433	R412-V423 HydrophobicContact CB-CG1 3.87Å; R412-V423 HydrophobicContact CG-CG1 4.35Å; F413-V423 CarbonylContact O-C 3.52Å; F413-V423 WeakPolarHBondContact O-CA 3.47Å; V414-V423 HydrophobicContact CG1-CG2 4.46Å; V414-V423 HydrophobicContact CG2-CG2 4.27Å; Y421-V423 HydrophobicContact CD2-CG2 4.15Å; Y421-V423 HydrophobicContact CE2-CG2 3.97Å; V423-E430 HydrophobicContact CG1-CG 4.13Å; V423-E430 WeakPolarHBondContact O-CB 3.5Å; V423-E430 PolarHBondContact O-N 3.14Å; V423-Y433 HydrophobicContact CB-CD2 4.2Å; V423-Y433 HydrophobicContact CB-CE1 3.99Å; V423-Y433 HydrophobicContact CB-CE2 3.62Å; V423-Y433 VanDerWaalsContact CB-CZ 3.5Å; V423-Y433 HydrophobicContact CG2-CD1 4.45Å; V423-Y433 HydrophobicContact CG2-CE1 3.58Å; V423-Y433 HydrophobicContact CG2-CE2 4.01Å; V423-Y433 WeakPolarHBondContact CG2-OH 3.03Å
424	F	90.5	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.5	180	-81.6	-103.7	0	0	0	110.3	W395 K396 L398 R412 F413 F415 W422 V427 T428 V429	W395-F424 HydrophobicContact CB-CD1 4.25Å; W395-F424 HydrophobicContact CB-CE1 3.71Å; W395-F424 HydrophobicContact CB-CZ 3.98Å; W395-F424 AromaticContact CD1-CD1 3.61Å; W395-F424 AromaticContact CD1-CE1 3.98Å; W395-F424 HydrophobicContact CG-CD1 4.3Å; W395-F424 HydrophobicContact CG-CE1 4.25Å; K396-F424 WeakPolarHBondContact O-CE1 3.44Å; L398-F424 HydrophobicContact CB-CE2 4.01Å; L398-F424 HydrophobicContact CB-CZ 3.74Å; L398-F424 HydrophobicContact CD1-CE2 3.7Å; L398-F424 HydrophobicContact CD1-CZ 4.33Å; L398-F424 HydrophobicContact CG-CE2 4.33Å; R412-F424 WeakPolarHBondContact CA-O 3.15Å; R412-F424 WeakPolarHBondContact CB-O 3.33Å; F413-F424 HydrophobicContact CB-CB 4.4Å; F413-F424 PolarHBondContact N-O 3.46Å; F413-F424 PolarHBondContact O-N 3.37Å; F415-F424 AromaticContact CD2-CD2 3.67Å; F415-F424 HydrophobicContact CD2-CD2 3.67Å; F415-F424 HydrophobicContact CD2-CE2 4.2Å; F415-F424 HydrophobicContact CD2-CG 4.4Å; F415-F424 HydrophobicContact CE2-CB 4.2Å; F415-F424 AromaticContact CE2-CD2 3.86Å; F415-F424 HydrophobicContact CE2-CD2 3.86Å; F415-F424 HydrophobicContact CE2-CG 4.14Å; W422-F424 HydrophobicContact CB-CD2 4.01Å; W422-F424 HydrophobicContact CB-CE2 3.65Å; W422-F424 HydrophobicContact CG-CE2 4.16Å; F424-V427 WeakPolarHBondContact CD1-O 3.43Å; F424-T428 CarbonylContact C-O 3.57Å; F424-T428 WeakPolarHBondContact CA-O 2.97Å; F424-V429 HydrophobicContact CD1-CB 4.11Å; F424-V429 HydrophobicContact CD2-CG2 4.39Å; F424-V429 HydrophobicContact CE1-CB 3.64Å; F424-V429 HydrophobicContact CE1-CG2 4.41Å; F424-V429 HydrophobicContact CE2-CB 4.08Å; F424-V429 HydrophobicContact CE2-CG2 3.94Å; F424-V429 HydrophobicContact CZ-CB 3.62Å; F424-V429 HydrophobicContact CZ-CG2 3.94Å
425	K	84.3	Confident	91.7	Very high	114 Å²	114	46 Å²	46	50%	0.496	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	107.6	158	-175.2	-172.1	175.4	-166.5	0	106.6	V427 T428	K425-V427 PolarHBondContact O-N 2.84Å; K425-T428 PolarHBondContact N-O 2.88Å; K425-T428 PolarHBondContact O-N 3.04Å
426	E	75.8	Confident	91.6	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.075	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-113.6	-177.9	-56.3	159.9	-146.7	0	0	111	D204 S205 W395 F413	D204-E426 WeakPolarHBondContact CA-OE2 3.44Å; S205-E426 WeakPolarHBondContact CB-OE1 3.35Å; S205-E426 PolarHBondContact N-OE2 3.26Å; S205-E426 VanDerWaalsContact N-OE2 3.13Å; S205-E426 PolarHBondContact OG-OE1 2.82Å; S205-E426 PolarHBondContact OG-OE2 3.12Å; W395-E426 PolarHBondContact NE1-O 3.35Å; F413-E426 WeakPolarHBondContact CD2-O 3.49Å
427	V	77.8	Confident	91.4	Very high	27 Å²	27	48 Å²	48	16%	0.164	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-7.9	173.6	-75	0	0	0	0	114.2	G203 F394 F424 K425	G203-V427 WeakPolarHBondContact O-CG1 3.39Å; G203-V427 WeakPolarHBondContact O-CG2 3.28Å; G203-V427 PolarHBondContact O-N 2.87Å; F394-V427 HydrophobicContact CD1-CG1 3.84Å; F394-V427 HydrophobicContact CE1-CG1 3.65Å; F394-V427 HydrophobicContact CE2-CG1 4.46Å; F394-V427 HydrophobicContact CG-CG1 4.37Å; F394-V427 HydrophobicContact CZ-CG1 4.02Å; F394-V427 WeakPolarHBondContact O-CB 3.25Å; F394-V427 WeakPolarHBondContact O-CG1 3.31Å; F424-V427 WeakPolarHBondContact CD1-O 3.43Å; K425-V427 PolarHBondContact O-N 2.84Å
428	T	79.2	Confident	91.1	Very high	82 Å²	82	46.4 Å²	46.4	50%	0.503	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.9	-176.6	-56.6	0	0	0	0	111.1	F424 K425	F424-T428 CarbonylContact C-O 3.57Å; F424-T428 WeakPolarHBondContact CA-O 2.97Å; K425-T428 PolarHBondContact N-O 2.88Å; K425-T428 PolarHBondContact O-N 3.04Å
429	V	90.5	Very high	90.9	Very high	45 Å²	45	51 Å²	51	27%	0.273	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.7	173.7	67.1	0	0	0	0	110	F424	F424-V429 HydrophobicContact CD1-CB 4.11Å; F424-V429 HydrophobicContact CD2-CG2 4.39Å; F424-V429 HydrophobicContact CE1-CB 3.64Å; F424-V429 HydrophobicContact CE1-CG2 4.41Å; F424-V429 HydrophobicContact CE2-CB 4.08Å; F424-V429 HydrophobicContact CE2-CG2 3.94Å; F424-V429 HydrophobicContact CZ-CB 3.62Å; F424-V429 HydrophobicContact CZ-CG2 3.94Å
430	E	91.9	Very high	90.7	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65.2	149.9	174.2	-71.4	-78.5	72.5	0	0	110.2	R412 V423 G432 Y433	R412-E430 IonicContact CZ-OE2 2.81Å; R412-E430 VanDerWaalsContact CZ-OE2 3.25Å; R412-E430 IonicContact NE-OE2 3.61Å; R412-E430 PolarHBondContact NE-OE2 3.1Å; R412-E430 IonicContact NH2-OE2 3.67Å; R412-E430 PolarHBondContact NH2-OE2 3.11Å; V423-E430 HydrophobicContact CG1-CG 4.13Å; V423-E430 WeakPolarHBondContact O-CB 3.5Å; V423-E430 PolarHBondContact O-N 3.14Å; E430-G432 PolarHBondContact O-N 3.31Å; E430-Y433 HydrophobicContact CB-CD2 3.73Å; E430-Y433 HydrophobicContact CB-CE2 3.76Å; E430-Y433 WeakPolarHBondContact O-CD2 3.44Å
431	P	91.3	Very high	90.2	Very high	119 Å²	119	43.5 Å²	43.5	77%	0.773	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	139.4	178.9	-23.5	33.8	0	0	0	112.6
432	G	90.4	Very high	89.7	Confident	56 Å²	56	47.4 Å²	47.4	58%	0.577	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-12.5	175.1	0	0	0	0	0	115.6	E430 H435	E430-G432 PolarHBondContact O-N 3.31Å; G432-H435 PolarHBondContact O-CE1 3.27Å; G432-H435 VanDerWaalsContact O-CE1 3.23Å; G432-H435 PolarHBondContact O-NE2 3.46Å
433	Y	94.3	Very high	89.3	Confident	49 Å²	49	50.2 Å²	50.2	19%	0.192	31%	0.305	C	S	.	.			trans	-79.7	152.9	177.1	-73.3	-80.7	0	0	0	113.1	Y421 V423 E430 H435	Y421-Y433 AromaticContact CD2-CE1 3.87Å; Y421-Y433 HydrophobicContact CD2-CE1 3.87Å; Y421-Y433 HydrophobicContact CE2-CD1 4.37Å; Y421-Y433 AromaticContact CE2-CE1 3.37Å; Y421-Y433 HydrophobicContact CE2-CE1 3.37Å; Y421-Y433 AromaticContact CZ-CE1 3.74Å; Y421-Y433 WeakPolarHBondContact O-CD1 3.4Å; V423-Y433 HydrophobicContact CB-CD2 4.2Å; V423-Y433 HydrophobicContact CB-CE1 3.99Å; V423-Y433 HydrophobicContact CB-CE2 3.62Å; V423-Y433 VanDerWaalsContact CB-CZ 3.5Å; V423-Y433 HydrophobicContact CG2-CD1 4.45Å; V423-Y433 HydrophobicContact CG2-CE1 3.58Å; V423-Y433 HydrophobicContact CG2-CE2 4.01Å; V423-Y433 WeakPolarHBondContact CG2-OH 3.03Å; E430-Y433 HydrophobicContact CB-CD2 3.73Å; E430-Y433 HydrophobicContact CB-CE2 3.76Å; E430-Y433 WeakPolarHBondContact O-CD2 3.44Å; Y433-H435 HydrophobicContact CD1-CB 4.38Å; Y433-H435 AromaticContact CD1-CD2 3.7Å; Y433-H435 HydrophobicContact CE1-CB 4.35Å; Y433-H435 AromaticContact CE1-CD2 3.5Å; Y433-H435 VanDerWaalsContact CE1-CD2 3.5Å; Y433-H435 WeakPolarHBondContact CE1-CD2 3.48Å; Y433-H435 AromaticContact CZ-CD2 3.85Å
434	P	95.9	Very high	89.2	Confident	56 Å²	56	50.5 Å²	50.5	36%	0.364	31%	0.306	S	S	.	.			cis	-77.7	149	1	26.7	-31.3	0	0	0	115.5	K420 Y421 W422	K420-P434 HydrophobicContact CB-CB 4.22Å; K420-P434 HydrophobicContact CD-CB 4.2Å; K420-P434 HydrophobicContact CD-CG 4.19Å; Y421-P434 WeakPolarHBondContact O-CA 3.37Å; W422-P434 HydrophobicContact CD2-CB 3.87Å; W422-P434 VanDerWaalsContact CE2-CB 3.43Å; W422-P434 HydrophobicContact CE3-CB 4.41Å; W422-P434 HydrophobicContact CG-CB 4.32Å; W422-P434 HydrophobicContact CH2-CB 4.06Å; W422-P434 HydrophobicContact CH2-CG 4.5Å; W422-P434 HydrophobicContact CZ2-CB 3.55Å; W422-P434 HydrophobicContact CZ2-CG 3.7Å; W422-P434 HydrophobicContact CZ3-CB 4.46Å
435	H	95.4	Very high	89.2	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.25	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	158.6	170.2	-73.7	-56	0	0	0	111.4	K420 Y421 G432 Y433 E439	K420-H435 VanDerWaalsContact CA-O 3.31Å; K420-H435 WeakPolarHBondContact CA-O 3.38Å; Y421-H435 HydrophobicContact CD1-CB 4.1Å; Y421-H435 WeakPolarHBondContact CD1-O 3.42Å; Y421-H435 HydrophobicContact CE1-CB 3.4Å; Y421-H435 PolarHBondContact N-O 3.05Å; Y421-H435 PolarHBondContact O-N 2.79Å; Y421-H435 VanDerWaalsContact O-N 3.15Å; G432-H435 PolarHBondContact O-CE1 3.27Å; G432-H435 VanDerWaalsContact O-CE1 3.23Å; G432-H435 PolarHBondContact O-NE2 3.46Å; Y433-H435 HydrophobicContact CD1-CB 4.38Å; Y433-H435 AromaticContact CD1-CD2 3.7Å; Y433-H435 HydrophobicContact CE1-CB 4.35Å; Y433-H435 AromaticContact CE1-CD2 3.5Å; Y433-H435 VanDerWaalsContact CE1-CD2 3.5Å; Y433-H435 WeakPolarHBondContact CE1-CD2 3.48Å; Y433-H435 AromaticContact CZ-CD2 3.85Å; H435-E439 IonicContact CE1-OE2 3.59Å; H435-E439 IonicContact CG-OE2 2.85Å; H435-E439 IonicContact ND1-OE1 2.7Å; H435-E439 IonicContact ND1-OE2 3.93Å; H435-E439 PolarHBondContact ND1-OE2 2.94Å
436	S	95.2	Very high	89.5	Confident	41 Å²	41	54.3 Å²	54.3	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	146.6	174	-178.9	0	0	0	0	111.2	D419 Y421 G438 E439 L440	D419-S436 CarbonylContact O-C 3.57Å; D419-S436 WeakPolarHBondContact O-CA 3.22Å; Y421-S436 WeakPolarHBondContact CE1-O 3.4Å; S436-G438 PolarHBondContact O-N 3.25Å; S436-G438 VanDerWaalsContact O-N 3.12Å; S436-G438 PolarHBondContact OG-N 3.42Å; S436-E439 PolarHBondContact N-OE1 3.47Å; S436-E439 WeakPolarHBondContact O-CB 3.2Å; S436-E439 PolarHBondContact O-N 2.87Å; S436-L440 PolarHBondContact O-N 3.47Å
437	L	93.6	Very high	90.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-55.5	-27.9	172	-79.9	179.3	0	0	0	113.2	F416 D419 E439 L440 G441 I449	F416-L437 HydrophobicContact CD1-CD2 3.64Å; F416-L437 HydrophobicContact CE1-CD2 3.62Å; D419-L437 PolarHBondContact O-N 3.07Å; L437-E439 PolarHBondContact O-N 3.25Å; L437-L440 HydrophobicContact CD2-CD2 4.25Å; L437-L440 WeakPolarHBondContact O-CB 3.38Å; L437-L440 PolarHBondContact O-N 3.06Å; L437-G441 PolarHBondContact O-N 2.76Å; L437-G441 VanDerWaalsContact O-N 3.12Å; L437-I449 HydrophobicContact CD1-CD1 4.46Å; L437-I449 HydrophobicContact CD1-CG1 4.17Å; L437-I449 HydrophobicContact CD2-CG1 4.24Å
438	G	90.5	Very high	91.1	Very high	28 Å²	28	59.9 Å²	59.9	29%	0.289	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-29.8	174.7	0	0	0	0	0	113.5	S436 G441	S436-G438 PolarHBondContact O-N 3.25Å; S436-G438 VanDerWaalsContact O-N 3.12Å; S436-G438 PolarHBondContact OG-N 3.42Å; G438-G441 CarbonylContact O-C 3.51Å
439	E	90.5	Very high	92	Very high	119 Å²	119	56.1 Å²	56.1	56%	0.556	32%	0.321	S	S	*	.	H	α-helix	trans	-75.1	-30.9	175.3	-61.2	172.5	-111.8	0	0	111.5	H435 S436 L437	H435-E439 IonicContact CE1-OE2 3.59Å; H435-E439 IonicContact CG-OE2 2.85Å; H435-E439 IonicContact ND1-OE1 2.7Å; H435-E439 IonicContact ND1-OE2 3.93Å; H435-E439 PolarHBondContact ND1-OE2 2.94Å; S436-E439 PolarHBondContact N-OE1 3.47Å; S436-E439 WeakPolarHBondContact O-CB 3.2Å; S436-E439 PolarHBondContact O-N 2.87Å; L437-E439 PolarHBondContact O-N 3.25Å
440	L	90.5	Very high	92.3	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-70.4	-37.3	175	-172.9	65.3	0	0	0	111.7	F416 Y421 S436 L437 L444 F463 Y472	F416-L440 HydrophobicContact CE1-CD2 3.75Å; F416-L440 HydrophobicContact CZ-CD2 4.05Å; Y421-L440 HydrophobicContact CD1-CB 4.23Å; Y421-L440 HydrophobicContact CE1-CB 3.75Å; Y421-L440 HydrophobicContact CE2-CD1 3.97Å; S436-L440 PolarHBondContact O-N 3.47Å; L437-L440 HydrophobicContact CD2-CD2 4.25Å; L437-L440 WeakPolarHBondContact O-CB 3.38Å; L437-L440 PolarHBondContact O-N 3.06Å; L440-L444 HydrophobicContact CB-CD1 4.13Å; L440-L444 HydrophobicContact CD2-CD1 3.94Å; L440-L444 HydrophobicContact CG-CD1 4Å; L440-F463 HydrophobicContact CD2-CE2 4.43Å; L440-F463 HydrophobicContact CD2-CZ 4.18Å; L440-Y472 HydrophobicContact CD1-CE1 4.34Å; L440-Y472 VanDerWaalsContact CD1-OH 3.28Å; L440-Y472 WeakPolarHBondContact CD1-OH 3.34Å; L440-Y472 HydrophobicContact CG-CE2 4.33Å; L440-Y472 WeakPolarHBondContact O-CE2 3.24Å; L440-Y472 PolarHBondContact O-OH 2.91Å
441	G	87.3	Confident	92.6	Very high	6 Å²	6	53.4 Å²	53.4	6%	0.062	31%	0.306	C	S	.	.			trans	-175.7	127.9	173.8	0	0	0	0	0	112.9	L437 G438 C443 L444	L437-G441 PolarHBondContact O-N 2.76Å; L437-G441 VanDerWaalsContact O-N 3.12Å; G438-G441 CarbonylContact O-C 3.51Å; G441-C443 PolarHBondContact O-N 2.97Å; G441-C443 VanDerWaalsContact O-N 3.12Å; G441-L444 WeakPolarHBondContact O-CB 3.38Å; G441-L444 PolarHBondContact O-N 2.72Å
442	S	86.1	Confident	92.9	Very high	95 Å²	95	47.9 Å²	47.9	66%	0.664	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.8	-174.9	55.8	0	0	0	0	115.2
443	C	88.5	Confident	93	Very high	79 Å²	79	45.4 Å²	45.4	53%	0.534	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.8	-180	-61.1	0	0	0	0	114.3	G441 W470	G441-C443 PolarHBondContact O-N 2.97Å; G441-C443 VanDerWaalsContact O-N 3.12Å; C443-W470 PolarHBondContact O-NE1 2.91Å
444	L	93	Very high	92.8	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	25%	0.251	C	S	.	.	S	Bend	trans	-73.8	150.6	178.3	-66.4	178.2	0	0	0	111.1	L440 G441 R446 F463 W470	L440-L444 HydrophobicContact CB-CD1 4.13Å; L440-L444 HydrophobicContact CD2-CD1 3.94Å; L440-L444 HydrophobicContact CG-CD1 4Å; G441-L444 WeakPolarHBondContact O-CB 3.38Å; G441-L444 PolarHBondContact O-N 2.72Å; L444-R446 PolarHBondContact O-N 3.24Å; L444-F463 HydrophobicContact CD1-CD2 4.38Å; L444-F463 HydrophobicContact CD1-CE2 4.21Å; L444-F463 HydrophobicContact CD2-CD2 3.63Å; L444-F463 HydrophobicContact CD2-CE2 4.19Å; L444-W470 HydrophobicContact CD2-CB 4.13Å; L444-W470 HydrophobicContact CD2-CG 4.1Å
445	P	91.4	Very high	92.1	Very high	21 Å²	21	45.5 Å²	45.5	14%	0.136	24%	0.237	C	C	.	.			trans	-67.7	126.4	179.4	28.5	-33.4	0	0	0	110.4	E447 G448 I449 K465 W470	P445-E447 VanDerWaalsContact C-N 3.25Å; P445-E447 PolarHBondContact O-N 3.46Å; P445-G448 PolarHBondContact O-N 3.1Å; P445-I449 HydrophobicContact CG-CD1 3.75Å; P445-K465 HydrophobicContact CB-CB 4.4Å; P445-K465 HydrophobicContact CB-CG 4.03Å; P445-K465 HydrophobicContact CG-CB 3.83Å; P445-K465 HydrophobicContact CG-CG 3.94Å; P445-W470 HydrophobicContact CB-CH2 4.18Å; P445-W470 HydrophobicContact CB-CZ2 4.21Å; P445-W470 HydrophobicContact CG-CE3 4.49Å; P445-W470 HydrophobicContact CG-CH2 3.94Å; P445-W470 HydrophobicContact CG-CZ2 4.08Å; P445-W470 HydrophobicContact CG-CZ3 4.16Å
446	R	91.3	Very high	91.1	Very high	173 Å²	173	48 Å²	48	65%	0.653	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.9	-176.9	-61.1	-176.3	-172.5	-86.7	-2	113.6	D419 L444 G448	D419-R446 VanDerWaalsContact CB-O 3.26Å; D419-R446 WeakPolarHBondContact CB-O 3.41Å; L444-R446 PolarHBondContact O-N 3.24Å; R446-G448 PolarHBondContact O-N 2.86Å
447	E	91.6	Very high	89.8	Confident	160 Å²	160	49.5 Å²	49.5	75%	0.748	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-13.7	177.8	-63.1	173.9	-171.8	0	0	113.4	P445	P445-E447 VanDerWaalsContact C-N 3.25Å; P445-E447 PolarHBondContact O-N 3.46Å
448	G	95.3	Very high	88.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.01	28%	0.277	C	S	.	.			trans	118	177.1	-179	0	0	0	0	0	114.6	G418 P445 R446 K465	G418-G448 WeakPolarHBondContact O-CA 3.15Å; P445-G448 PolarHBondContact O-N 3.1Å; R446-G448 PolarHBondContact O-N 2.86Å; G448-K465 VanDerWaalsContact O-CD 3.24Å; G448-K465 WeakPolarHBondContact O-CD 3.5Å; G448-K465 WeakPolarHBondContact O-CE 2.96Å
449	I	97.6	Very high	88.2	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.286	C	S	.	.			trans	-112.8	128.3	-178.2	-56.1	-51.9	0	0	0	109.1	A404 F416 L437 P445 T451 A452 F463	A404-I449 HydrophobicContact CB-CG2 4.25Å; F416-I449 HydrophobicContact CB-CB 4.49Å; F416-I449 HydrophobicContact CD1-CG1 4.14Å; F416-I449 HydrophobicContact CE1-CG1 4.38Å; F416-I449 HydrophobicContact CG-CB 4.34Å; F416-I449 HydrophobicContact CG-CG1 4.41Å; L437-I449 HydrophobicContact CD1-CD1 4.46Å; L437-I449 HydrophobicContact CD1-CG1 4.17Å; L437-I449 HydrophobicContact CD2-CG1 4.24Å; P445-I449 HydrophobicContact CG-CD1 3.75Å; I449-T451 VanDerWaalsContact CG2-O 3.24Å; I449-T451 WeakPolarHBondContact CG2-O 3.1Å; I449-A452 HydrophobicContact CG2-CB 4.46Å; I449-F463 HydrophobicContact CD1-CB 4.02Å; I449-F463 HydrophobicContact CD1-CG 4.38Å; I449-F463 HydrophobicContact CG2-CB 4.07Å; I449-F463 HydrophobicContact CG2-CD1 4.04Å; I449-F463 HydrophobicContact CG2-CG 4.43Å
450	D	97.2	Very high	87.9	Confident	37 Å²	37	50.3 Å²	50.3	20%	0.198	27%	0.27	C	S	.	.	S	Bend	trans	-83.6	-33.2	178.6	-58.3	-24.4	0	0	0	111.6	F464 K465 G466 P497	D450-F464 PolarHBondContact N-O 3Å; D450-K465 VanDerWaalsContact CG-CD 3.46Å; D450-K465 WeakPolarHBondContact OD1-CD 3.31Å; D450-K465 IonicContact OD1-NZ 2.6Å; D450-K465 PolarHBondContact OD1-NZ 2.68Å; D450-K465 WeakPolarHBondContact OD2-CA 3.19Å; D450-K465 WeakPolarHBondContact OD2-CD 2.95Å; D450-G466 PolarHBondContact OD2-N 3.37Å; D450-P497 CarbonylContact C-O 3.53Å; D450-P497 WeakPolarHBondContact CB-O 3.21Å
451	T	97.8	Very high	88.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.1	176.4	-70.3	0	0	0	0	110.4	I449 F463 F464 P497 Q498 G499 A500	I449-T451 VanDerWaalsContact CG2-O 3.24Å; I449-T451 WeakPolarHBondContact CG2-O 3.1Å; T451-F463 WeakPolarHBondContact O-CA 3.38Å; T451-F464 HydrophobicContact CG2-CD2 4.12Å; T451-F464 PolarHBondContact N-O 3.04Å; T451-F464 PolarHBondContact O-N 3.44Å; T451-P497 PolarHBondContact OG1-O 3.38Å; T451-Q498 PolarHBondContact OG1-N 3.24Å; T451-G499 WeakPolarHBondContact OG1-CA 3.31Å; T451-G499 PolarHBondContact OG1-N 2.83Å; T451-A500 HydrophobicContact CG2-CB 3.54Å
452	A	97.3	Very high	88.3	Confident	3 Å²	3	49.9 Å²	49.9	3%	0.025	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134	172.3	0	0	0	0	0	109.4	A404 Y406 F416 I449 F463	A404-A452 HydrophobicContact CB-CB 4.23Å; Y406-A452 HydrophobicContact CD1-CB 3.64Å; Y406-A452 HydrophobicContact CE1-CB 4.37Å; Y406-A452 HydrophobicContact CG-CB 4.21Å; F416-A452 HydrophobicContact CD2-CB 4.07Å; F416-A452 HydrophobicContact CE2-CB 3.71Å; I449-A452 HydrophobicContact CG2-CB 4.46Å; A452-F463 HydrophobicContact CB-CD1 3.81Å; A452-F463 HydrophobicContact CB-CE1 3.93Å
453	L	93.2	Very high	88.8	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	121.9	-178.8	174.2	67.2	0	0	0	109.8	W455 T461 Y462 F464 W490 A500 T509 F511	L453-W455 HydrophobicContact CD2-CB 4.46Å; L453-W455 PolarHBondContact O-N 3.28Å; L453-T461 CarbonylContact O-C 3.58Å; L453-Y462 PolarHBondContact N-O 3.3Å; L453-Y462 PolarHBondContact O-N 2.6Å; L453-F464 HydrophobicContact CB-CE2 4.38Å; L453-W490 HydrophobicContact CD2-CH2 4.44Å; L453-A500 HydrophobicContact CB-CB 4.19Å; L453-A500 HydrophobicContact CD1-CB 4.17Å; L453-A500 HydrophobicContact CD2-CB 4.31Å; L453-A500 HydrophobicContact CG-CB 4.45Å; L453-T509 HydrophobicContact CD1-CG2 4.3Å; L453-T509 HydrophobicContact CD2-CG2 3.49Å; L453-T509 VanDerWaalsContact CD2-CG2 3.49Å; L453-F511 HydrophobicContact CD2-CZ 4.28Å
454	R	90.1	Very high	89.2	Confident	85 Å²	85	41.6 Å²	41.6	32%	0.321	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.4	163.1	-175.4	172.4	173.5	-143.8	-5	109	Y406 E407 R408 A409 E456	Y406-R454 HydrophobicContact CD2-CB 4.01Å; E407-R454 WeakPolarHBondContact O-CD 3.43Å; R408-R454 VanDerWaalsContact C-NH1 3.29Å; R408-R454 PolarHBondContact O-NH1 3.21Å; R408-R454 VanDerWaalsContact O-NH1 3.14Å; A409-R454 VanDerWaalsContact CA-NH2 3.31Å; R454-E456 PolarHBondContact O-N 3.41Å
455	W	80.5	Confident	89.3	Confident	22 Å²	22	43.4 Å²	43.4	8%	0.083	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	99.9	-175.3	-161.9	49.6	0	0	0	110.1	L453 P457 V458 G459 K460 Y462 W490 T509 N522 L525	L453-W455 HydrophobicContact CD2-CB 4.46Å; L453-W455 PolarHBondContact O-N 3.28Å; W455-P457 HydrophobicContact CD2-CG 4.35Å; W455-P457 HydrophobicContact CZ2-CB 4.43Å; W455-P457 HydrophobicContact CZ2-CG 4.27Å; W455-V458 HydrophobicContact CE3-CB 3.93Å; W455-V458 HydrophobicContact CE3-CG2 3.53Å; W455-V458 HydrophobicContact CH2-CG2 4.31Å; W455-V458 HydrophobicContact CZ3-CB 4.23Å; W455-V458 HydrophobicContact CZ3-CG2 3.33Å; W455-V458 PolarHBondContact O-N 3.12Å; W455-G459 PolarHBondContact O-N 2.99Å; W455-K460 PolarHBondContact N-O 3.1Å; W455-Y462 HydrophobicContact CB-CD2 3.56Å; W455-Y462 HydrophobicContact CB-CE2 3.61Å; W455-Y462 HydrophobicContact CD2-CE2 4.3Å; W455-Y462 AromaticContact CE3-CE2 3.74Å; W455-Y462 HydrophobicContact CE3-CE2 3.74Å; W455-Y462 AromaticContact CE3-CZ 3.83Å; W455-Y462 HydrophobicContact CG-CD2 4.47Å; W455-Y462 HydrophobicContact CG-CE2 4.3Å; W455-W490 HydrophobicContact CD2-CH2 4.11Å; W455-W490 HydrophobicContact CG-CH2 4.3Å; W455-T509 PolarHBondContact NE1-OG1 2.85Å; W455-N522 HydrophobicContact CZ2-CB 4.03Å; W455-N522 PolarHBondContact NE1-OD1 3.43Å; W455-L525 HydrophobicContact CH2-CD2 3.85Å; W455-L525 HydrophobicContact CZ2-CD2 4.09Å
456	E	75.8	Confident	89.5	Confident	107 Å²	107	43.8 Å²	43.8	50%	0.5	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-40.9	-174.3	-61.1	-178.8	160.3	0	0	115	R454 V458 G459 I502	R454-E456 PolarHBondContact O-N 3.41Å; E456-V458 PolarHBondContact O-N 3.13Å; E456-G459 PolarHBondContact O-N 3.29Å; E456-G459 VanDerWaalsContact O-N 3.1Å; E456-I502 HydrophobicContact CB-CD1 3.74Å; E456-I502 HydrophobicContact CG-CD1 3.81Å; E456-I502 HydrophobicContact CG-CG2 4.23Å
457	P	67.4	Low	89.7	Confident	72 Å²	72	41 Å²	41	47%	0.468	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.6	-177.8	-28.5	36.5	0	0	0	114.2	W455 N522	W455-P457 HydrophobicContact CD2-CG 4.35Å; W455-P457 HydrophobicContact CZ2-CB 4.43Å; W455-P457 HydrophobicContact CZ2-CG 4.27Å; P457-N522 HydrophobicContact CG-CB 4.2Å
458	V	72	Confident	89.8	Confident	70 Å²	70	40.8 Å²	40.8	42%	0.424	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-14.5	179.3	-179	0	0	0	0	111.9	W455 E456 K460	W455-V458 HydrophobicContact CE3-CB 3.93Å; W455-V458 HydrophobicContact CE3-CG2 3.53Å; W455-V458 HydrophobicContact CH2-CG2 4.31Å; W455-V458 HydrophobicContact CZ3-CB 4.23Å; W455-V458 HydrophobicContact CZ3-CG2 3.33Å; W455-V458 PolarHBondContact O-N 3.12Å; E456-V458 PolarHBondContact O-N 3.13Å; V458-K460 HydrophobicContact CG1-CB 4.28Å; V458-K460 HydrophobicContact CG1-CG 3.81Å; V458-K460 PolarHBondContact O-N 2.87Å
459	G	78.2	Confident	89.7	Confident	46 Å²	46	41.2 Å²	41.2	47%	0.474	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	23.1	-177.6	0	0	0	0	0	113.9	W455 E456	W455-G459 PolarHBondContact O-N 2.99Å; E456-G459 PolarHBondContact O-N 3.29Å; E456-G459 VanDerWaalsContact O-N 3.1Å
460	K	84.7	Confident	89.6	Confident	50 Å²	50	41.9 Å²	41.9	22%	0.217	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	156.5	177.9	-63.5	-66.6	-175.2	-170.5	0	110.6	W455 V458 Y462 R471 S473	W455-K460 PolarHBondContact N-O 3.1Å; V458-K460 HydrophobicContact CG1-CB 4.28Å; V458-K460 HydrophobicContact CG1-CG 3.81Å; V458-K460 PolarHBondContact O-N 2.87Å; K460-Y462 HydrophobicContact CB-CE2 4Å; K460-R471 HydrophobicContact CB-CG 3.89Å; K460-R471 HydrophobicContact CG-CG 4.35Å; K460-S473 PolarHBondContact NZ-OG 2.96Å
461	T	93.2	Very high	89.1	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.3	176.5	-52.7	0	0	0	0	109.1	Y406 L453 F463 Y472 E474	Y406-T461 HydrophobicContact CD2-CG2 4.09Å; Y406-T461 HydrophobicContact CE1-CG2 4.12Å; Y406-T461 HydrophobicContact CE2-CG2 3.56Å; L453-T461 CarbonylContact O-C 3.58Å; T461-F463 HydrophobicContact CG2-CD1 4.28Å; T461-F463 HydrophobicContact CG2-CE1 3.58Å; T461-F463 HydrophobicContact CG2-CE2 4.36Å; T461-F463 HydrophobicContact CG2-CZ 3.63Å; T461-Y472 PolarHBondContact N-O 2.6Å; T461-Y472 VanDerWaalsContact N-O 3.13Å; T461-Y472 WeakPolarHBondContact O-CB 3.34Å; T461-Y472 PolarHBondContact O-N 2.72Å; T461-E474 PolarHBondContact OG1-OE1 3.13Å
462	Y	91.9	Very high	88.8	Confident	9 Å²	9	43.7 Å²	43.7	4%	0.035	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130	179.6	-70.5	-103.3	0	0	0	109.4	L453 W455 K460 Y469 W470 R471 W490	L453-Y462 PolarHBondContact N-O 3.3Å; L453-Y462 PolarHBondContact O-N 2.6Å; W455-Y462 HydrophobicContact CB-CD2 3.56Å; W455-Y462 HydrophobicContact CB-CE2 3.61Å; W455-Y462 HydrophobicContact CD2-CE2 4.3Å; W455-Y462 AromaticContact CE3-CE2 3.74Å; W455-Y462 HydrophobicContact CE3-CE2 3.74Å; W455-Y462 AromaticContact CE3-CZ 3.83Å; W455-Y462 HydrophobicContact CG-CD2 4.47Å; W455-Y462 HydrophobicContact CG-CE2 4.3Å; K460-Y462 HydrophobicContact CB-CE2 4Å; Y462-Y469 AromaticContact CD1-CD2 3.79Å; Y462-Y469 HydrophobicContact CD1-CD2 3.79Å; Y462-Y469 AromaticContact CD1-CE2 3.82Å; Y462-Y469 HydrophobicContact CD1-CE2 3.82Å; Y462-Y469 HydrophobicContact CE1-CD2 4.34Å; Y462-Y469 AromaticContact CE1-CE2 3.9Å; Y462-Y469 HydrophobicContact CE1-CE2 3.9Å; Y462-W470 VanDerWaalsContact CA-O 3.28Å; Y462-W470 WeakPolarHBondContact CA-O 3.49Å; Y462-R471 HydrophobicContact CD1-CB 4.14Å; Y462-R471 HydrophobicContact CD1-CG 4.24Å; Y462-R471 HydrophobicContact CE1-CB 3.84Å; Y462-R471 HydrophobicContact CE1-CG 3.7Å; Y462-R471 HydrophobicContact CE2-CG 4.06Å; Y462-R471 VanDerWaalsContact CZ-CD 3.42Å; Y462-R471 WeakPolarHBondContact OH-CD 3.25Å; Y462-W490 AromaticContact CD1-CZ2 3.89Å; Y462-W490 HydrophobicContact CD1-CZ2 3.89Å; Y462-W490 HydrophobicContact CE1-CZ2 4.15Å; Y462-W490 HydrophobicContact CG-CZ2 4.28Å
463	F	96.8	Very high	88.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.4	176.8	-57.5	-56.6	0	0	0	109.6	Y406 F416 L440 L444 I449 T451 A452 T461 Y469 W470 Y472	Y406-F463 AromaticContact CE1-CE1 3.99Å; Y406-F463 HydrophobicContact CE1-CE1 3.99Å; Y406-F463 HydrophobicContact CE1-CZ 4.4Å; F416-F463 HydrophobicContact CE2-CD1 4.48Å; F416-F463 AromaticContact CE2-CE1 3.85Å; F416-F463 HydrophobicContact CE2-CE1 3.85Å; F416-F463 HydrophobicContact CZ-CD1 4.36Å; F416-F463 AromaticContact CZ-CE1 3.55Å; F416-F463 HydrophobicContact CZ-CE1 3.55Å; F416-F463 AromaticContact CZ-CZ 3.98Å; F416-F463 HydrophobicContact CZ-CZ 3.98Å; L440-F463 HydrophobicContact CD2-CE2 4.43Å; L440-F463 HydrophobicContact CD2-CZ 4.18Å; L444-F463 HydrophobicContact CD1-CD2 4.38Å; L444-F463 HydrophobicContact CD1-CE2 4.21Å; L444-F463 HydrophobicContact CD2-CD2 3.63Å; L444-F463 HydrophobicContact CD2-CE2 4.19Å; I449-F463 HydrophobicContact CD1-CB 4.02Å; I449-F463 HydrophobicContact CD1-CG 4.38Å; I449-F463 HydrophobicContact CG2-CB 4.07Å; I449-F463 HydrophobicContact CG2-CD1 4.04Å; I449-F463 HydrophobicContact CG2-CG 4.43Å; T451-F463 WeakPolarHBondContact O-CA 3.38Å; A452-F463 HydrophobicContact CB-CD1 3.81Å; A452-F463 HydrophobicContact CB-CE1 3.93Å; T461-F463 HydrophobicContact CG2-CD1 4.28Å; T461-F463 HydrophobicContact CG2-CE1 3.58Å; T461-F463 HydrophobicContact CG2-CE2 4.36Å; T461-F463 HydrophobicContact CG2-CZ 3.63Å; F463-Y469 CarbonylContact O-C 3.56Å; F463-Y469 WeakPolarHBondContact O-CA 3.26Å; F463-Y469 WeakPolarHBondContact O-CB 3.14Å; F463-W470 HydrophobicContact CB-CB 4.44Å; F463-W470 PolarHBondContact N-O 2.87Å; F463-W470 PolarHBondContact O-N 3.19Å; F463-Y472 HydrophobicContact CD2-CG 4.5Å; F463-Y472 VanDerWaalsContact CE2-CB 3.47Å; F463-Y472 HydrophobicContact CE2-CD1 4.08Å; F463-Y472 HydrophobicContact CE2-CD2 4.07Å; F463-Y472 AromaticContact CE2-CG 3.62Å; F463-Y472 HydrophobicContact CE2-CG 3.62Å; F463-Y472 HydrophobicContact CZ-CD1 4.33Å; F463-Y472 HydrophobicContact CZ-CG 4.32Å
464	F	96.3	Very high	88.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.1	-179.8	-61	-100.2	0	0	0	109.6	D450 T451 L453 Y469 I487 W490 I493 P497 F511	D450-F464 PolarHBondContact N-O 3Å; T451-F464 HydrophobicContact CG2-CD2 4.12Å; T451-F464 PolarHBondContact N-O 3.04Å; T451-F464 PolarHBondContact O-N 3.44Å; L453-F464 HydrophobicContact CB-CE2 4.38Å; F464-Y469 HydrophobicContact CE1-CG 4.26Å; F464-I487 HydrophobicContact CD1-CD1 3.85Å; F464-I487 HydrophobicContact CD1-CG1 4.16Å; F464-I487 HydrophobicContact CE1-CD1 4.41Å; F464-I487 HydrophobicContact CE1-CG1 4.35Å; F464-W490 AromaticContact CE1-CD1 3.97Å; F464-W490 HydrophobicContact CE1-CD2 4.32Å; F464-W490 AromaticContact CE1-CE2 3.94Å; F464-W490 HydrophobicContact CE1-CG 4.35Å; F464-W490 HydrophobicContact CE1-CZ2 4.46Å; F464-W490 AromaticContact CE1-NE1 3.69Å; F464-W490 HydrophobicContact CZ-CD2 4.26Å; F464-W490 AromaticContact CZ-CE2 3.71Å; F464-W490 HydrophobicContact CZ-CH2 4.38Å; F464-W490 AromaticContact CZ-CZ2 3.79Å; F464-W490 HydrophobicContact CZ-CZ2 3.79Å; F464-W490 AromaticContact CZ-NE1 3.9Å; F464-I493 HydrophobicContact CE1-CD1 4.18Å; F464-P497 HydrophobicContact CB-CG 4.03Å; F464-P497 HydrophobicContact CD1-CG 4.34Å; F464-P497 HydrophobicContact CG-CG 4.16Å; F464-F511 HydrophobicContact CE1-CE1 4.09Å; F464-F511 HydrophobicContact CE2-CE1 4.02Å; F464-F511 AromaticContact CZ-CE1 3.68Å; F464-F511 HydrophobicContact CZ-CE1 3.68Å; F464-F511 HydrophobicContact CZ-CZ 4.02Å
465	K	96.4	Very high	87.8	Confident	48 Å²	48	49.2 Å²	49.2	21%	0.209	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	117.7	174	-176.8	57.6	167.6	-174.9	0	109.5	P445 G448 D450 E467 R468 W470	P445-K465 HydrophobicContact CB-CB 4.4Å; P445-K465 HydrophobicContact CB-CG 4.03Å; P445-K465 HydrophobicContact CG-CB 3.83Å; P445-K465 HydrophobicContact CG-CG 3.94Å; G448-K465 VanDerWaalsContact O-CD 3.24Å; G448-K465 WeakPolarHBondContact O-CD 3.5Å; G448-K465 WeakPolarHBondContact O-CE 2.96Å; D450-K465 VanDerWaalsContact CG-CD 3.46Å; D450-K465 WeakPolarHBondContact OD1-CD 3.31Å; D450-K465 IonicContact OD1-NZ 2.6Å; D450-K465 PolarHBondContact OD1-NZ 2.68Å; D450-K465 WeakPolarHBondContact OD2-CA 3.19Å; D450-K465 WeakPolarHBondContact OD2-CD 2.95Å; K465-E467 PolarHBondContact O-N 3.09Å; K465-R468 PolarHBondContact N-O 3.44Å; K465-R468 PolarHBondContact O-N 3.22Å; K465-R468 VanDerWaalsContact O-O 3.08Å; K465-W470 HydrophobicContact CB-CH2 4.06Å; K465-W470 HydrophobicContact CB-CZ3 3.65Å
466	G	94.5	Very high	88.2	Confident	29 Å²	29	56.6 Å²	56.6	30%	0.299	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-122.7	-177.7	0	0	0	0	0	112.3	D450 A496	D450-G466 PolarHBondContact OD2-N 3.37Å; G466-A496 PolarHBondContact O-N 3.4Å
467	E	95	Very high	88.8	Confident	115 Å²	115	59.8 Å²	59.8	54%	0.537	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	9	-179.9	-56.6	-171.4	148.5	0	0	113.7	K465 I487 Q495	K465-E467 PolarHBondContact O-N 3.09Å; E467-I487 PolarHBondContact O-N 3.09Å; E467-Q495 HydrophobicContact CG-CG 4.3Å; E467-Q495 VanDerWaalsContact OE1-CD 3.3Å; E467-Q495 PolarHBondContact OE1-NE2 3.23Å; E467-Q495 PolarHBondContact OE1-OE1 3.46Å
468	R	94.4	Very high	89.9	Confident	154 Å²	154	58.2 Å²	58.2	58%	0.581	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.9	-173.1	-66.4	-176.6	-175.5	-172.2	1.5	111.6	K465 W470 P484 K485	K465-R468 PolarHBondContact N-O 3.44Å; K465-R468 PolarHBondContact O-N 3.22Å; K465-R468 VanDerWaalsContact O-O 3.08Å; R468-W470 HydrophobicContact CB-CH2 3.71Å; R468-W470 HydrophobicContact CB-CZ3 3.73Å; R468-W470 WeakPolarHBondContact O-CZ3 3.26Å; R468-P484 HydrophobicContact CB-CB 4.08Å; R468-K485 WeakPolarHBondContact CA-O 3.28Å
469	Y	93.3	Very high	90.8	Very high	10 Å²	10	56 Å²	56	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.1	173.3	79.5	-82.6	0	0	0	112	Y462 F463 F464 Y483 P484 K485 P486 V489 W490	Y462-Y469 AromaticContact CD1-CD2 3.79Å; Y462-Y469 HydrophobicContact CD1-CD2 3.79Å; Y462-Y469 AromaticContact CD1-CE2 3.82Å; Y462-Y469 HydrophobicContact CD1-CE2 3.82Å; Y462-Y469 HydrophobicContact CE1-CD2 4.34Å; Y462-Y469 AromaticContact CE1-CE2 3.9Å; Y462-Y469 HydrophobicContact CE1-CE2 3.9Å; F463-Y469 CarbonylContact O-C 3.56Å; F463-Y469 WeakPolarHBondContact O-CA 3.26Å; F463-Y469 WeakPolarHBondContact O-CB 3.14Å; F464-Y469 HydrophobicContact CE1-CG 4.26Å; Y469-Y483 HydrophobicContact CD2-CD1 4.43Å; Y469-Y483 HydrophobicContact CD2-CE1 4.07Å; Y469-Y483 HydrophobicContact CE2-CD1 4.2Å; Y469-Y483 AromaticContact CE2-CE1 3.46Å; Y469-Y483 HydrophobicContact CE2-CE1 3.46Å; Y469-Y483 VanDerWaalsContact CE2-CE1 3.46Å; Y469-Y483 AromaticContact CZ-CE1 3.9Å; Y469-P484 CarbonylContact O-C 3.58Å; Y469-P484 VanDerWaalsContact O-CA 3.23Å; Y469-P484 WeakPolarHBondContact O-CA 3.46Å; Y469-P484 WeakPolarHBondContact O-CB 3.36Å; Y469-K485 HydrophobicContact CD1-CB 4.04Å; Y469-K485 WeakPolarHBondContact CD1-O 3.32Å; Y469-K485 HydrophobicContact CE1-CB 3.37Å; Y469-K485 PolarHBondContact N-O 3.44Å; Y469-K485 PolarHBondContact O-N 2.76Å; Y469-P486 VanDerWaalsContact CE1-O 3.25Å; Y469-P486 WeakPolarHBondContact CE1-O 3.45Å; Y469-V489 HydrophobicContact CE1-CB 4Å; Y469-V489 HydrophobicContact CE1-CG2 4.17Å; Y469-W490 AromaticContact CD1-CD1 3.94Å; Y469-W490 AromaticContact CD1-NE1 3.82Å; Y469-W490 AromaticContact CD2-NE1 3.64Å; Y469-W490 AromaticContact CE1-CD1 3.83Å; Y469-W490 AromaticContact CE1-NE1 3.72Å; Y469-W490 AromaticContact CE2-NE1 3.47Å; Y469-W490 AromaticContact CG-NE1 3.78Å; Y469-W490 AromaticContact CZ-NE1 3.56Å
470	W	94.8	Very high	91	Very high	17 Å²	17	54.5 Å²	54.5	6%	0.064	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.8	-179.2	-68	-113	0	0	0	108.9	C443 L444 P445 Y462 F463 K465 R468 T479 P484	C443-W470 PolarHBondContact O-NE1 2.91Å; L444-W470 HydrophobicContact CD2-CB 4.13Å; L444-W470 HydrophobicContact CD2-CG 4.1Å; P445-W470 HydrophobicContact CB-CH2 4.18Å; P445-W470 HydrophobicContact CB-CZ2 4.21Å; P445-W470 HydrophobicContact CG-CE3 4.49Å; P445-W470 HydrophobicContact CG-CH2 3.94Å; P445-W470 HydrophobicContact CG-CZ2 4.08Å; P445-W470 HydrophobicContact CG-CZ3 4.16Å; Y462-W470 VanDerWaalsContact CA-O 3.28Å; Y462-W470 WeakPolarHBondContact CA-O 3.49Å; F463-W470 HydrophobicContact CB-CB 4.44Å; F463-W470 PolarHBondContact N-O 2.87Å; F463-W470 PolarHBondContact O-N 3.19Å; K465-W470 HydrophobicContact CB-CH2 4.06Å; K465-W470 HydrophobicContact CB-CZ3 3.65Å; R468-W470 HydrophobicContact CB-CH2 3.71Å; R468-W470 HydrophobicContact CB-CZ3 3.73Å; R468-W470 WeakPolarHBondContact O-CZ3 3.26Å; W470-T479 HydrophobicContact CB-CG2 4.24Å; W470-T479 HydrophobicContact CG-CG2 4.44Å; W470-P484 HydrophobicContact CD2-CB 3.87Å; W470-P484 HydrophobicContact CE3-CB 4.37Å; W470-P484 HydrophobicContact CG-CB 4.32Å; W470-P484 HydrophobicContact CH2-CB 4.2Å; W470-P484 HydrophobicContact CZ2-CB 3.74Å; W470-P484 HydrophobicContact CZ2-CG 3.86Å; W470-P484 HydrophobicContact CZ3-CB 4.48Å
471	R	87.7	Confident	91.3	Very high	71 Å²	71	57.5 Å²	57.5	27%	0.268	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.1	168.3	-171.4	174.5	74.7	-169.1	4.3	109.1	K460 Y462 T479 D480 Y483	K460-R471 HydrophobicContact CB-CG 3.89Å; K460-R471 HydrophobicContact CG-CG 4.35Å; Y462-R471 HydrophobicContact CD1-CB 4.14Å; Y462-R471 HydrophobicContact CD1-CG 4.24Å; Y462-R471 HydrophobicContact CE1-CB 3.84Å; Y462-R471 HydrophobicContact CE1-CG 3.7Å; Y462-R471 HydrophobicContact CE2-CG 4.06Å; Y462-R471 VanDerWaalsContact CZ-CD 3.42Å; Y462-R471 WeakPolarHBondContact OH-CD 3.25Å; R471-T479 WeakPolarHBondContact O-CA 3.37Å; R471-D480 IonicContact CZ-OD2 3.18Å; R471-D480 IonicContact NE-OD2 3.85Å; R471-D480 PolarHBondContact NE-OD2 3.3Å; R471-D480 IonicContact NH2-OD2 3.58Å; R471-D480 PolarHBondContact NH2-OD2 2.72Å; R471-D480 PolarHBondContact O-N 3.13Å; R471-Y483 HydrophobicContact CB-CD1 3.96Å; R471-Y483 HydrophobicContact CB-CD2 3.91Å; R471-Y483 HydrophobicContact CB-CE1 3.57Å; R471-Y483 HydrophobicContact CB-CE2 3.51Å; R471-Y483 HydrophobicContact CB-CG 4.12Å; R471-Y483 WeakPolarHBondContact CD-OH 3.31Å; R471-Y483 HydrophobicContact CG-CE2 4.42Å; R471-Y483 PolarHBondContact NE-OH 3.2Å; R471-Y483 PolarHBondContact NH1-OH 2.82Å
472	Y	92.2	Very high	90.9	Very high	3 Å²	3	60 Å²	60	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.6	-174.3	-177.1	-102.9	0	0	0	111.3	L440 T461 F463 E474 R477 A478	L440-Y472 HydrophobicContact CD1-CE1 4.34Å; L440-Y472 VanDerWaalsContact CD1-OH 3.28Å; L440-Y472 WeakPolarHBondContact CD1-OH 3.34Å; L440-Y472 HydrophobicContact CG-CE2 4.33Å; L440-Y472 WeakPolarHBondContact O-CE2 3.24Å; L440-Y472 PolarHBondContact O-OH 2.91Å; T461-Y472 PolarHBondContact N-O 2.6Å; T461-Y472 VanDerWaalsContact N-O 3.13Å; T461-Y472 WeakPolarHBondContact O-CB 3.34Å; T461-Y472 PolarHBondContact O-N 2.72Å; F463-Y472 HydrophobicContact CD2-CG 4.5Å; F463-Y472 VanDerWaalsContact CE2-CB 3.47Å; F463-Y472 HydrophobicContact CE2-CD1 4.08Å; F463-Y472 HydrophobicContact CE2-CD2 4.07Å; F463-Y472 AromaticContact CE2-CG 3.62Å; F463-Y472 HydrophobicContact CE2-CG 3.62Å; F463-Y472 HydrophobicContact CZ-CD1 4.33Å; F463-Y472 HydrophobicContact CZ-CG 4.32Å; Y472-E474 HydrophobicContact CD1-CG 4.42Å; Y472-E474 HydrophobicContact CE1-CG 4.42Å; Y472-R477 WeakPolarHBondContact OH-CA 3.17Å; Y472-A478 WeakPolarHBondContact CD2-O 3.36Å
473	S	86.1	Confident	90.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.6	175.8	-174.9	0	0	0	0	109.9	K460 E475 R476 R477 A478	K460-S473 PolarHBondContact NZ-OG 2.96Å; S473-E475 PolarHBondContact O-N 3.1Å; S473-R476 PolarHBondContact O-N 3.09Å; S473-R476 VanDerWaalsContact O-N 3.13Å; S473-R477 PolarHBondContact O-N 3.08Å; S473-A478 PolarHBondContact N-O 3.45Å; S473-A478 PolarHBondContact O-N 3.21Å
474	E	88.2	Confident	90.7	Very high	35 Å²	35	63.7 Å²	63.7	16%	0.164	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.7	177.6	-64.6	-71	163.9	0	0	112.6	Y406 R408 T461 Y472 R477	Y406-E474 PolarHBondContact OH-OE1 3.41Å; R408-E474 IonicContact CZ-OE2 3.07Å; R408-E474 IonicContact NE-OE1 3.98Å; R408-E474 IonicContact NE-OE2 2.76Å; R408-E474 PolarHBondContact NE-OE2 3.03Å; R408-E474 IonicContact NH2-OE2 2.84Å; R408-E474 PolarHBondContact NH2-OE2 3.32Å; T461-E474 PolarHBondContact OG1-OE1 3.13Å; Y472-E474 HydrophobicContact CD1-CG 4.42Å; Y472-E474 HydrophobicContact CE1-CG 4.42Å; E474-R477 WeakPolarHBondContact O-CG 3.21Å; E474-R477 PolarHBondContact O-N 2.85Å
475	E	85.4	Confident	90.2	Very high	175 Å²	175	67.3 Å²	67.3	82%	0.818	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-39	179.7	-176.9	-179.2	-169.4	0	0	113.1	S473	S473-E475 PolarHBondContact O-N 3.1Å
476	R	88.1	Confident	89.8	Confident	177 Å²	177	68.5 Å²	68.5	67%	0.668	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.4	-179.7	-64.5	-177.4	179.3	-171.4	-2.4	112.3	S473 A478	S473-R476 PolarHBondContact O-N 3.09Å; S473-R476 VanDerWaalsContact O-N 3.13Å; R476-A478 HydrophobicContact CB-CB 4.3Å; R476-A478 PolarHBondContact O-N 2.7Å
477	R	89.1	Confident	89.7	Confident	173 Å²	173	67.5 Å²	67.5	65%	0.653	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	42.3	-169.5	-54.2	179	99.9	166.4	3.9	112.1	Y472 S473 E474	Y472-R477 WeakPolarHBondContact OH-CA 3.17Å; S473-R477 PolarHBondContact O-N 3.08Å; E474-R477 WeakPolarHBondContact O-CG 3.21Å; E474-R477 PolarHBondContact O-N 2.85Å
478	A	89.6	Confident	89.3	Confident	39 Å²	39	67 Å²	67	32%	0.322	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.6	-173.7	0	0	0	0	0	112	Y472 S473 R476	Y472-A478 WeakPolarHBondContact CD2-O 3.36Å; S473-A478 PolarHBondContact N-O 3.45Å; S473-A478 PolarHBondContact O-N 3.21Å; R476-A478 HydrophobicContact CB-CB 4.3Å; R476-A478 PolarHBondContact O-N 2.7Å
479	T	90.2	Very high	88.7	Confident	23 Å²	23	63 Å²	63	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.3	169.5	-59.7	0	0	0	0	109.5	W470 R471	W470-T479 HydrophobicContact CB-CG2 4.24Å; W470-T479 HydrophobicContact CG-CG2 4.44Å; R471-T479 WeakPolarHBondContact O-CA 3.37Å
480	D	84.3	Confident	88.5	Confident	15 Å²	15	63.1 Å²	63.1	8%	0.08	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-65.1	147.4	176.6	-81.7	-6.8	0	0	0	111.8	R471 Y483	R471-D480 IonicContact CZ-OD2 3.18Å; R471-D480 IonicContact NE-OD2 3.85Å; R471-D480 PolarHBondContact NE-OD2 3.3Å; R471-D480 IonicContact NH2-OD2 3.58Å; R471-D480 PolarHBondContact NH2-OD2 2.72Å; R471-D480 PolarHBondContact O-N 3.13Å; D480-Y483 HydrophobicContact CB-CD2 3.88Å; D480-Y483 HydrophobicContact CB-CE2 4.05Å; D480-Y483 WeakPolarHBondContact O-CD2 3.46Å
481	P	89.2	Confident	88	Confident	113 Å²	113	69 Å²	69	73%	0.734	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	142.2	174.9	-25.3	34.6	0	0	0	112.9
482	G	85.3	Confident	88.1	Confident	55 Å²	55	68.1 Å²	68.1	57%	0.567	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	12.6	179.1	0	0	0	0	0	115.2	K485	G482-K485 WeakPolarHBondContact O-CG 3.5Å; G482-K485 PolarHBondContact O-NZ 3.07Å
483	Y	90.8	Very high	88.2	Confident	34 Å²	34	68.9 Å²	68.9	13%	0.133	37%	0.373	C	S	.	.			trans	-109.6	153.4	168.1	-71.8	-89	0	0	0	110.6	Y469 R471 D480 K485	Y469-Y483 HydrophobicContact CD2-CD1 4.43Å; Y469-Y483 HydrophobicContact CD2-CE1 4.07Å; Y469-Y483 HydrophobicContact CE2-CD1 4.2Å; Y469-Y483 AromaticContact CE2-CE1 3.46Å; Y469-Y483 HydrophobicContact CE2-CE1 3.46Å; Y469-Y483 VanDerWaalsContact CE2-CE1 3.46Å; Y469-Y483 AromaticContact CZ-CE1 3.9Å; R471-Y483 HydrophobicContact CB-CD1 3.96Å; R471-Y483 HydrophobicContact CB-CD2 3.91Å; R471-Y483 HydrophobicContact CB-CE1 3.57Å; R471-Y483 HydrophobicContact CB-CE2 3.51Å; R471-Y483 HydrophobicContact CB-CG 4.12Å; R471-Y483 WeakPolarHBondContact CD-OH 3.31Å; R471-Y483 HydrophobicContact CG-CE2 4.42Å; R471-Y483 PolarHBondContact NE-OH 3.2Å; R471-Y483 PolarHBondContact NH1-OH 2.82Å; D480-Y483 HydrophobicContact CB-CD2 3.88Å; D480-Y483 HydrophobicContact CB-CE2 4.05Å; D480-Y483 WeakPolarHBondContact O-CD2 3.46Å; Y483-K485 HydrophobicContact CD1-CB 4.19Å; Y483-K485 HydrophobicContact CD1-CD 4.35Å; Y483-K485 HydrophobicContact CD1-CG 3.89Å; Y483-K485 HydrophobicContact CE1-CB 4.24Å; Y483-K485 HydrophobicContact CE1-CD 3.88Å; Y483-K485 HydrophobicContact CE1-CG 3.92Å
484	P	93.6	Very high	88.7	Confident	51 Å²	51	69.8 Å²	69.8	33%	0.331	38%	0.379	S	S	.	.			cis	-70.3	156.4	4.3	25.7	-32.5	0	0	0	114.5	R468 Y469 W470	R468-P484 HydrophobicContact CB-CB 4.08Å; Y469-P484 CarbonylContact O-C 3.58Å; Y469-P484 VanDerWaalsContact O-CA 3.23Å; Y469-P484 WeakPolarHBondContact O-CA 3.46Å; Y469-P484 WeakPolarHBondContact O-CB 3.36Å; W470-P484 HydrophobicContact CD2-CB 3.87Å; W470-P484 HydrophobicContact CE3-CB 4.37Å; W470-P484 HydrophobicContact CG-CB 4.32Å; W470-P484 HydrophobicContact CH2-CB 4.2Å; W470-P484 HydrophobicContact CZ2-CB 3.74Å; W470-P484 HydrophobicContact CZ2-CG 3.86Å; W470-P484 HydrophobicContact CZ3-CB 4.48Å
485	K	85.9	Confident	88.9	Confident	77 Å²	77	72.9 Å²	72.9	34%	0.335	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	155.4	171.2	-72.6	-168.1	-174.6	-52.8	0	110.2	R468 Y469 G482 Y483	R468-K485 WeakPolarHBondContact CA-O 3.28Å; Y469-K485 HydrophobicContact CD1-CB 4.04Å; Y469-K485 WeakPolarHBondContact CD1-O 3.32Å; Y469-K485 HydrophobicContact CE1-CB 3.37Å; Y469-K485 PolarHBondContact N-O 3.44Å; Y469-K485 PolarHBondContact O-N 2.76Å; G482-K485 WeakPolarHBondContact O-CG 3.5Å; G482-K485 PolarHBondContact O-NZ 3.07Å; Y483-K485 HydrophobicContact CD1-CB 4.19Å; Y483-K485 HydrophobicContact CD1-CD 4.35Å; Y483-K485 HydrophobicContact CD1-CG 3.89Å; Y483-K485 HydrophobicContact CE1-CB 4.24Å; Y483-K485 HydrophobicContact CE1-CD 3.88Å; Y483-K485 HydrophobicContact CE1-CG 3.92Å
486	P	88.2	Confident	89.4	Confident	73 Å²	73	65.8 Å²	65.8	47%	0.474	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	140.7	175.9	28.9	-35.2	0	0	0	110.4	Y469 T488 V489	Y469-P486 VanDerWaalsContact CE1-O 3.25Å; Y469-P486 WeakPolarHBondContact CE1-O 3.45Å; P486-T488 PolarHBondContact O-N 3.22Å; P486-T488 VanDerWaalsContact O-N 3.08Å; P486-V489 HydrophobicContact CG-CG2 4.49Å; P486-V489 WeakPolarHBondContact O-CG2 3.49Å; P486-V489 PolarHBondContact O-N 3.37Å
487	I	91.6	Very high	89.8	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.036	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.2	-20.3	-179.6	-162.6	168.5	0	0	0	112.7	F464 E467 V489 W490 I493 Q495 P497	F464-I487 HydrophobicContact CD1-CD1 3.85Å; F464-I487 HydrophobicContact CD1-CG1 4.16Å; F464-I487 HydrophobicContact CE1-CD1 4.41Å; F464-I487 HydrophobicContact CE1-CG1 4.35Å; E467-I487 PolarHBondContact O-N 3.09Å; I487-V489 PolarHBondContact O-N 3.23Å; I487-W490 WeakPolarHBondContact O-CA 3.36Å; I487-W490 WeakPolarHBondContact O-CB 3.42Å; I487-W490 PolarHBondContact O-N 3.29Å; I487-I493 HydrophobicContact CD1-CD1 3.81Å; I487-I493 HydrophobicContact CD1-CG1 4.18Å; I487-I493 HydrophobicContact CG1-CD1 3.72Å; I487-I493 HydrophobicContact CG1-CG1 4.03Å; I487-Q495 HydrophobicContact CG2-CG 4.37Å; I487-P497 HydrophobicContact CD1-CG 4.47Å
488	T	87.2	Confident	90.2	Very high	105 Å²	105	52.2 Å²	52.2	64%	0.644	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-58	-16.4	177.2	55.4	0	0	0	0	114.5	P486 W490	P486-T488 PolarHBondContact O-N 3.22Å; P486-T488 VanDerWaalsContact O-N 3.08Å; T488-W490 PolarHBondContact O-N 3.33Å
489	V	82.5	Confident	90.5	Very high	71 Å²	71	50.4 Å²	50.4	43%	0.43	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-59.5	-35.9	168.4	177.5	0	0	0	0	111.2	Y469 P486 I487 K491	Y469-V489 HydrophobicContact CE1-CB 4Å; Y469-V489 HydrophobicContact CE1-CG2 4.17Å; P486-V489 HydrophobicContact CG-CG2 4.49Å; P486-V489 WeakPolarHBondContact O-CG2 3.49Å; P486-V489 PolarHBondContact O-N 3.37Å; I487-V489 PolarHBondContact O-N 3.23Å; V489-K491 PolarHBondContact O-N 3.1Å; V489-K491 VanDerWaalsContact O-N 3.13Å
490	W	88.5	Confident	90.7	Very high	12 Å²	12	49.5 Å²	49.5	5%	0.045	30%	0.296	C	S	.	.	S	Bend	trans	-82.9	81	172.4	-60.1	81.2	0	0	0	109	L453 W455 Y462 F464 Y469 I487 T488 G492 I493 F511 F520	L453-W490 HydrophobicContact CD2-CH2 4.44Å; W455-W490 HydrophobicContact CD2-CH2 4.11Å; W455-W490 HydrophobicContact CG-CH2 4.3Å; Y462-W490 AromaticContact CD1-CZ2 3.89Å; Y462-W490 HydrophobicContact CD1-CZ2 3.89Å; Y462-W490 HydrophobicContact CE1-CZ2 4.15Å; Y462-W490 HydrophobicContact CG-CZ2 4.28Å; F464-W490 AromaticContact CE1-CD1 3.97Å; F464-W490 HydrophobicContact CE1-CD2 4.32Å; F464-W490 AromaticContact CE1-CE2 3.94Å; F464-W490 HydrophobicContact CE1-CG 4.35Å; F464-W490 HydrophobicContact CE1-CZ2 4.46Å; F464-W490 AromaticContact CE1-NE1 3.69Å; F464-W490 HydrophobicContact CZ-CD2 4.26Å; F464-W490 AromaticContact CZ-CE2 3.71Å; F464-W490 HydrophobicContact CZ-CH2 4.38Å; F464-W490 AromaticContact CZ-CZ2 3.79Å; F464-W490 HydrophobicContact CZ-CZ2 3.79Å; F464-W490 AromaticContact CZ-NE1 3.9Å; Y469-W490 AromaticContact CD1-CD1 3.94Å; Y469-W490 AromaticContact CD1-NE1 3.82Å; Y469-W490 AromaticContact CD2-NE1 3.64Å; Y469-W490 AromaticContact CE1-CD1 3.83Å; Y469-W490 AromaticContact CE1-NE1 3.72Å; Y469-W490 AromaticContact CE2-NE1 3.47Å; Y469-W490 AromaticContact CG-NE1 3.78Å; Y469-W490 AromaticContact CZ-NE1 3.56Å; I487-W490 WeakPolarHBondContact O-CA 3.36Å; I487-W490 WeakPolarHBondContact O-CB 3.42Å; I487-W490 PolarHBondContact O-N 3.29Å; T488-W490 PolarHBondContact O-N 3.33Å; W490-G492 PolarHBondContact O-N 3.1Å; W490-G492 VanDerWaalsContact O-N 3.14Å; W490-I493 HydrophobicContact CB-CD1 3.35Å; W490-I493 HydrophobicContact CB-CG1 3.63Å; W490-I493 HydrophobicContact CB-CG2 4.23Å; W490-I493 HydrophobicContact CD2-CD1 4.4Å; W490-I493 HydrophobicContact CG-CD1 3.83Å; W490-I493 WeakPolarHBondContact O-CG1 3.14Å; W490-I493 PolarHBondContact O-N 2.95Å; W490-F511 HydrophobicContact CD2-CZ 4.16Å; W490-F511 AromaticContact CE3-CE2 3.79Å; W490-F511 HydrophobicContact CE3-CE2 3.79Å; W490-F511 AromaticContact CE3-CZ 3.51Å; W490-F511 HydrophobicContact CE3-CZ 3.51Å; W490-F511 HydrophobicContact CH2-CZ 4.31Å; W490-F511 AromaticContact CZ3-CE2 3.98Å; W490-F511 HydrophobicContact CZ3-CE2 3.98Å; W490-F511 AromaticContact CZ3-CZ 3.61Å; W490-F511 HydrophobicContact CZ3-CZ 3.61Å; W490-F520 HydrophobicContact CB-CE2 4.1Å; W490-F520 HydrophobicContact CB-CZ 4.41Å; W490-F520 HydrophobicContact CD2-CZ 4.32Å; W490-F520 AromaticContact CE3-CD1 3.94Å; W490-F520 HydrophobicContact CE3-CD1 3.94Å; W490-F520 HydrophobicContact CE3-CD2 4.38Å; W490-F520 AromaticContact CE3-CE1 3.54Å; W490-F520 HydrophobicContact CE3-CE1 3.54Å; W490-F520 HydrophobicContact CE3-CE2 4.03Å; W490-F520 HydrophobicContact CE3-CG 4.33Å; W490-F520 AromaticContact CE3-CZ 3.57Å; W490-F520 HydrophobicContact CE3-CZ 3.57Å; W490-F520 HydrophobicContact CZ3-CD1 4.02Å; W490-F520 AromaticContact CZ3-CE1 3.73Å; W490-F520 HydrophobicContact CZ3-CE1 3.73Å; W490-F520 HydrophobicContact CZ3-CZ 4.23Å
491	K	84.5	Confident	91.1	Very high	140 Å²	140	49.1 Å²	49.1	61%	0.609	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-58.8	119.4	-170.3	-64	177.9	180	176.6	0	112.2	V489 S526 V527	V489-K491 PolarHBondContact O-N 3.1Å; V489-K491 VanDerWaalsContact O-N 3.13Å; K491-S526 CarbonylContact O-C 3.53Å; K491-S526 WeakPolarHBondContact O-CA 3.37Å; K491-V527 PolarHBondContact O-N 3.42Å
492	G	90.6	Very high	91	Very high	53 Å²	53	44.4 Å²	44.4	55%	0.546	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.9	-5	172.9	0	0	0	0	0	116	W490 W518	W490-G492 PolarHBondContact O-N 3.1Å; W490-G492 VanDerWaalsContact O-N 3.14Å; G492-W518 VanDerWaalsContact O-CD1 3.24Å
493	I	94.2	Very high	91	Very high	18 Å²	18	42.3 Å²	42.3	9%	0.092	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-78.4	153.5	174.1	78.3	170.2	0	0	0	110.4	F464 I487 W490 F511 F520 V527	F464-I493 HydrophobicContact CE1-CD1 4.18Å; I487-I493 HydrophobicContact CD1-CD1 3.81Å; I487-I493 HydrophobicContact CD1-CG1 4.18Å; I487-I493 HydrophobicContact CG1-CD1 3.72Å; I487-I493 HydrophobicContact CG1-CG1 4.03Å; W490-I493 HydrophobicContact CB-CD1 3.35Å; W490-I493 HydrophobicContact CB-CG1 3.63Å; W490-I493 HydrophobicContact CB-CG2 4.23Å; W490-I493 HydrophobicContact CD2-CD1 4.4Å; W490-I493 HydrophobicContact CG-CD1 3.83Å; W490-I493 WeakPolarHBondContact O-CG1 3.14Å; W490-I493 PolarHBondContact O-N 2.95Å; I493-F511 HydrophobicContact CB-CD2 4.36Å; I493-F511 HydrophobicContact CB-CG 4.36Å; I493-F511 HydrophobicContact CD1-CD1 3.99Å; I493-F511 HydrophobicContact CD1-CD2 4.44Å; I493-F511 HydrophobicContact CD1-CE1 3.82Å; I493-F511 HydrophobicContact CD1-CE2 4.29Å; I493-F511 HydrophobicContact CD1-CG 4.29Å; I493-F511 HydrophobicContact CD1-CZ 3.98Å; I493-F511 HydrophobicContact CG2-CD2 3.64Å; I493-F511 HydrophobicContact CG2-CE2 3.93Å; I493-F511 HydrophobicContact CG2-CG 4.14Å; I493-F520 HydrophobicContact CG2-CD2 3.74Å; I493-F520 HydrophobicContact CG2-CE2 4.36Å; I493-F520 HydrophobicContact CG2-CG 4.47Å; I493-V527 HydrophobicContact CG2-CG2 3.63Å
494	P	95.1	Very high	90.3	Very high	20 Å²	20	48.7 Å²	48.7	13%	0.13	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.2	153.8	177.9	33.1	-37.5	0	0	0	111	K513 W518	P494-K513 HydrophobicContact CB-CD 3.76Å; P494-K513 HydrophobicContact CG-CB 3.92Å; P494-K513 HydrophobicContact CG-CD 4.01Å; P494-W518 HydrophobicContact CB-CH2 4.07Å; P494-W518 HydrophobicContact CB-CZ2 3.99Å; P494-W518 HydrophobicContact CB-CZ3 4.45Å; P494-W518 HydrophobicContact CG-CD2 3.97Å; P494-W518 HydrophobicContact CG-CE3 3.73Å; P494-W518 HydrophobicContact CG-CH2 3.81Å; P494-W518 HydrophobicContact CG-CZ2 3.96Å; P494-W518 HydrophobicContact CG-CZ3 3.69Å
495	Q	94	Very high	89.5	Confident	99 Å²	99	52.1 Å²	52.1	46%	0.463	28%	0.279	S	S	.	.	S	Bend	trans	-62.5	149.2	166.4	-60.6	-178.8	-10.6	0	0	110.5	E467 I487 K513	E467-Q495 HydrophobicContact CG-CG 4.3Å; E467-Q495 VanDerWaalsContact OE1-CD 3.3Å; E467-Q495 PolarHBondContact OE1-NE2 3.23Å; E467-Q495 PolarHBondContact OE1-OE1 3.46Å; I487-Q495 HydrophobicContact CG2-CG 4.37Å; Q495-K513 WeakPolarHBondContact O-CD 3.41Å; Q495-K513 WeakPolarHBondContact O-CE 3.48Å; Q495-K513 PolarHBondContact O-NZ 2.98Å
496	A	94.5	Very high	89.1	Confident	27 Å²	27	48.9 Å²	48.9	22%	0.223	27%	0.268	C	S	.	.	S	Bend	trans	45.1	62.9	179.3	0	0	0	0	0	113.6	G466 K513	G466-A496 PolarHBondContact O-N 3.4Å; A496-K513 WeakPolarHBondContact O-CE 3.31Å
497	P	96.8	Very high	88.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.			trans	-59.4	152.8	170.4	28.1	-33.9	0	0	0	110	D450 T451 F464 I487 F511	D450-P497 CarbonylContact C-O 3.53Å; D450-P497 WeakPolarHBondContact CB-O 3.21Å; T451-P497 PolarHBondContact OG1-O 3.38Å; F464-P497 HydrophobicContact CB-CG 4.03Å; F464-P497 HydrophobicContact CD1-CG 4.34Å; F464-P497 HydrophobicContact CG-CG 4.16Å; I487-P497 HydrophobicContact CD1-CG 4.47Å; P497-F511 HydrophobicContact CB-CD1 4.14Å; P497-F511 HydrophobicContact CG-CD1 4.21Å
498	Q	96.7	Very high	88.7	Confident	65 Å²	65	54.8 Å²	54.8	30%	0.304	28%	0.281	S	S	.	.	S	Bend	trans	-102.7	-13.3	-179.7	-65.6	177.7	-76.8	0	0	112.6	T359 T451 Y512 K513	T359-Q498 WeakPolarHBondContact CA-O 3.13Å; T359-Q498 WeakPolarHBondContact CB-O 3.36Å; T359-Q498 PolarHBondContact OG1-O 2.94Å; T451-Q498 PolarHBondContact OG1-N 3.24Å; Q498-Y512 HydrophobicContact CB-CD1 3.97Å; Q498-Y512 HydrophobicContact CB-CE1 3.97Å; Q498-Y512 PolarHBondContact N-O 3.26Å; Q498-K513 HydrophobicContact CG-CG 4.45Å
499	G	96.3	Very high	88.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	159.9	172.5	0	0	0	0	0	110.9	T451 Y512	T451-G499 WeakPolarHBondContact OG1-CA 3.31Å; T451-G499 PolarHBondContact OG1-N 2.83Å; G499-Y512 PolarHBondContact N-O 3.31Å; G499-Y512 PolarHBondContact O-N 2.84Å
500	A	95.5	Very high	89.6	Confident	5 Å²	5	47.7 Å²	47.7	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.4	172.7	0	0	0	0	0	110.9	T451 L453 Y510 F511	T451-A500 HydrophobicContact CG2-CB 3.54Å; L453-A500 HydrophobicContact CB-CB 4.19Å; L453-A500 HydrophobicContact CD1-CB 4.17Å; L453-A500 HydrophobicContact CD2-CB 4.31Å; L453-A500 HydrophobicContact CG-CB 4.45Å; A500-Y510 CarbonylContact C-O 3.57Å; A500-Y510 WeakPolarHBondContact CA-O 3.2Å; A500-F511 HydrophobicContact CB-CD1 3.86Å; A500-F511 HydrophobicContact CB-CE1 4.01Å; A500-F511 HydrophobicContact CB-CG 4.5Å
501	F	93.2	Very high	90	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.8	177.2	56.7	-90.5	0	0	0	110.4	V360 L362 M367 Y510 W539	V360-F501 HydrophobicContact CG1-CD1 3.97Å; V360-F501 HydrophobicContact CG1-CE1 3.97Å; L362-F501 HydrophobicContact CB-CB 4.15Å; M367-F501 HydrophobicContact CE-CD1 4.41Å; M367-F501 HydrophobicContact CE-CD2 4.33Å; M367-F501 HydrophobicContact CE-CE1 3.88Å; M367-F501 HydrophobicContact CE-CE2 3.79Å; M367-F501 HydrophobicContact CE-CZ 3.53Å; F501-Y510 AromaticContact CD2-CD2 3.84Å; F501-Y510 HydrophobicContact CD2-CD2 3.84Å; F501-Y510 HydrophobicContact CD2-CG 4.34Å; F501-Y510 AromaticContact CE2-CD2 3.43Å; F501-Y510 HydrophobicContact CE2-CD2 3.43Å; F501-Y510 VanDerWaalsContact CE2-CD2 3.43Å; F501-Y510 HydrophobicContact CE2-CE2 4.35Å; F501-Y510 AromaticContact CE2-CG 3.69Å; F501-Y510 HydrophobicContact CE2-CG 3.69Å; F501-Y510 HydrophobicContact CZ-CD2 4.24Å; F501-Y510 HydrophobicContact CZ-CG 4.03Å; F501-Y510 PolarHBondContact N-O 3.04Å; F501-Y510 PolarHBondContact O-N 2.93Å; F501-W539 HydrophobicContact CE2-CE3 4.33Å; F501-W539 AromaticContact CE2-CH2 3.42Å; F501-W539 HydrophobicContact CE2-CH2 3.42Å; F501-W539 VanDerWaalsContact CE2-CH2 3.42Å; F501-W539 AromaticContact CE2-CZ2 3.71Å; F501-W539 HydrophobicContact CE2-CZ2 3.71Å; F501-W539 AromaticContact CE2-CZ3 3.74Å; F501-W539 HydrophobicContact CE2-CZ3 3.74Å; F501-W539 HydrophobicContact CZ-CD2 4.19Å; F501-W539 AromaticContact CZ-CE2 3.96Å; F501-W539 HydrophobicContact CZ-CE3 4.27Å; F501-W539 AromaticContact CZ-CH2 3.94Å; F501-W539 HydrophobicContact CZ-CH2 3.94Å; F501-W539 AromaticContact CZ-CZ2 3.84Å; F501-W539 HydrophobicContact CZ-CZ2 3.84Å; F501-W539 HydrophobicContact CZ-CZ3 4.13Å
502	I	86.4	Confident	90.6	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	150.9	-177.4	-160.2	167.2	0	0	0	111.2	E456 Y508	E456-I502 HydrophobicContact CB-CD1 3.74Å; E456-I502 HydrophobicContact CG-CD1 3.81Å; E456-I502 HydrophobicContact CG-CG2 4.23Å; I502-Y508 WeakPolarHBondContact CG1-O 3.37Å
503	S	84.4	Confident	90.8	Very high	11 Å²	11	41.5 Å²	41.5	8%	0.077	19%	0.194	C	C	.	.			trans	-65.8	156.3	171.4	82.2	0	0	0	0	110.8	E505 G506 Y507 Y508	S503-E505 PolarHBondContact O-N 2.75Å; S503-E505 VanDerWaalsContact O-N 3.1Å; S503-E505 PolarHBondContact OG-OE2 3.26Å; S503-E505 VanDerWaalsContact OG-OE2 3.1Å; S503-G506 PolarHBondContact O-N 3.28Å; S503-G506 PolarHBondContact OG-N 3.07Å; S503-Y507 PolarHBondContact OG-N 3.1Å; S503-Y508 PolarHBondContact N-O 3.1Å; S503-Y508 PolarHBondContact OG-N 2.86Å
504	K	76.9	Confident	90.8	Very high	168 Å²	168	41.6 Å²	41.6	73%	0.73	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-30.3	-178.8	-68.8	-175.2	177.3	-176.9	0	113.2
505	E	77.5	Confident	90.7	Very high	122 Å²	122	44.6 Å²	44.6	57%	0.57	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.8	-179.9	-47.7	74.6	-161.2	0	0	113.4	S503 Y507	S503-E505 PolarHBondContact O-N 2.75Å; S503-E505 VanDerWaalsContact O-N 3.1Å; S503-E505 PolarHBondContact OG-OE2 3.26Å; S503-E505 VanDerWaalsContact OG-OE2 3.1Å; E505-Y507 VanDerWaalsContact C-N 3.3Å; E505-Y507 HydrophobicContact CB-CD2 3.44Å; E505-Y507 VanDerWaalsContact CB-CD2 3.44Å; E505-Y507 HydrophobicContact CB-CE2 3.52Å; E505-Y507 HydrophobicContact CB-CG 4.3Å; E505-Y507 HydrophobicContact CG-CD2 4.26Å; E505-Y507 HydrophobicContact CG-CE2 4.21Å; E505-Y507 PolarHBondContact O-N 2.68Å
506	G	76.8	Confident	90.8	Very high	10 Å²	10	42.7 Å²	42.7	10%	0.103	20%	0.201	C	C	.	.	S	Bend	trans	79.8	-0.7	-179.2	0	0	0	0	0	115.7	S503 N522	S503-G506 PolarHBondContact O-N 3.28Å; S503-G506 PolarHBondContact OG-N 3.07Å; G506-N522 PolarHBondContact O-ND2 2.81Å
507	Y	83.3	Confident	90.9	Very high	139 Å²	139	41.9 Å²	41.9	55%	0.545	19%	0.192	S	C	.	.	S	Bend	trans	-75.7	-31.8	-175.5	-62	-50.4	0	0	0	114.1	S503 E505 N522	S503-Y507 PolarHBondContact OG-N 3.1Å; E505-Y507 VanDerWaalsContact C-N 3.3Å; E505-Y507 HydrophobicContact CB-CD2 3.44Å; E505-Y507 VanDerWaalsContact CB-CD2 3.44Å; E505-Y507 HydrophobicContact CB-CE2 3.52Å; E505-Y507 HydrophobicContact CB-CG 4.3Å; E505-Y507 HydrophobicContact CG-CD2 4.26Å; E505-Y507 HydrophobicContact CG-CE2 4.21Å; E505-Y507 PolarHBondContact O-N 2.68Å; Y507-N522 WeakPolarHBondContact O-CB 3.44Å; Y507-N522 PolarHBondContact O-N 3.04Å; Y507-N522 PolarHBondContact O-ND2 3.42Å
508	Y	88.8	Confident	91	Very high	64 Å²	64	43.3 Å²	43.3	25%	0.251	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142	-176.3	-58.3	-73.9	0	0	0	111.2	I502 S503 K519 F520 D521 E528	I502-Y508 WeakPolarHBondContact CG1-O 3.37Å; S503-Y508 PolarHBondContact N-O 3.1Å; S503-Y508 PolarHBondContact OG-N 2.86Å; Y508-K519 HydrophobicContact CD1-CD 4.23Å; Y508-K519 HydrophobicContact CD1-CG 4Å; Y508-K519 VanDerWaalsContact CD2-CE 3.45Å; Y508-K519 VanDerWaalsContact CE1-CE 3.4Å; Y508-K519 HydrophobicContact CG-CD 4.36Å; Y508-K519 HydrophobicContact CG-CG 4.2Å; Y508-F520 WeakPolarHBondContact CA-O 3.48Å; Y508-D521 HydrophobicContact CD1-CB 4.41Å; Y508-D521 HydrophobicContact CE1-CB 4.33Å; Y508-E528 HydrophobicContact CE1-CG 4.32Å
509	T	90.7	Very high	90.9	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.5	168.7	-58	0	0	0	0	108.8	L453 W455 F511 F520 N522	L453-T509 HydrophobicContact CD1-CG2 4.3Å; L453-T509 HydrophobicContact CD2-CG2 3.49Å; L453-T509 VanDerWaalsContact CD2-CG2 3.49Å; W455-T509 PolarHBondContact NE1-OG1 2.85Å; T509-F511 HydrophobicContact CG2-CD2 4.11Å; T509-F511 HydrophobicContact CG2-CE2 3.52Å; T509-F511 HydrophobicContact CG2-CZ 3.82Å; T509-F520 PolarHBondContact N-O 2.95Å; T509-F520 WeakPolarHBondContact O-CA 3.23Å; T509-F520 VanDerWaalsContact O-CB 3.25Å; T509-F520 WeakPolarHBondContact O-CB 3.25Å; T509-F520 PolarHBondContact O-N 3.49Å; T509-N522 WeakPolarHBondContact CB-OD1 3.16Å; T509-N522 PolarHBondContact OG1-ND2 3.06Å; T509-N522 PolarHBondContact OG1-OD1 2.72Å
510	Y	95.9	Very high	90.6	Very high	27 Å²	27	42 Å²	42	11%	0.106	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.5	176.3	-60	-81.7	0	0	0	109.5	A500 F501 Y517 W518 K519 W539	A500-Y510 CarbonylContact C-O 3.57Å; A500-Y510 WeakPolarHBondContact CA-O 3.2Å; F501-Y510 AromaticContact CD2-CD2 3.84Å; F501-Y510 HydrophobicContact CD2-CD2 3.84Å; F501-Y510 HydrophobicContact CD2-CG 4.34Å; F501-Y510 AromaticContact CE2-CD2 3.43Å; F501-Y510 HydrophobicContact CE2-CD2 3.43Å; F501-Y510 VanDerWaalsContact CE2-CD2 3.43Å; F501-Y510 HydrophobicContact CE2-CE2 4.35Å; F501-Y510 AromaticContact CE2-CG 3.69Å; F501-Y510 HydrophobicContact CE2-CG 3.69Å; F501-Y510 HydrophobicContact CZ-CD2 4.24Å; F501-Y510 HydrophobicContact CZ-CG 4.03Å; F501-Y510 PolarHBondContact N-O 3.04Å; F501-Y510 PolarHBondContact O-N 2.93Å; Y510-Y517 AromaticContact CD1-CD2 3.75Å; Y510-Y517 HydrophobicContact CD1-CD2 3.75Å; Y510-Y517 AromaticContact CD1-CE2 3.75Å; Y510-Y517 HydrophobicContact CD1-CE2 3.75Å; Y510-Y517 HydrophobicContact CE1-CD2 4.47Å; Y510-Y517 HydrophobicContact CE1-CE2 4.02Å; Y510-W518 CarbonylContact C-O 3.49Å; Y510-W518 VanDerWaalsContact CA-O 3.3Å; Y510-W518 WeakPolarHBondContact CA-O 3.47Å; Y510-K519 HydrophobicContact CD1-CB 3.93Å; Y510-K519 HydrophobicContact CD1-CG 4.09Å; Y510-K519 HydrophobicContact CE1-CB 3.73Å; Y510-K519 HydrophobicContact CE1-CD 3.87Å; Y510-K519 HydrophobicContact CE1-CG 3.51Å; Y510-W539 HydrophobicContact CD1-CZ2 4.03Å; Y510-W539 HydrophobicContact CD2-CH2 4.2Å; Y510-W539 HydrophobicContact CD2-CZ2 4.1Å; Y510-W539 AromaticContact CE1-CZ2 3.97Å; Y510-W539 HydrophobicContact CE1-CZ2 3.97Å; Y510-W539 HydrophobicContact CE2-CH2 4.05Å; Y510-W539 HydrophobicContact CE2-CZ2 4.06Å; Y510-W539 HydrophobicContact CG-CZ2 4.08Å; Y510-W539 AromaticContact CZ-CZ2 4Å
511	F	97.2	Very high	90.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.9	173.1	-69.7	-90.3	0	0	0	109.3	L453 F464 W490 I493 P497 A500 T509 Y517 W518 F520	L453-F511 HydrophobicContact CD2-CZ 4.28Å; F464-F511 HydrophobicContact CE1-CE1 4.09Å; F464-F511 HydrophobicContact CE2-CE1 4.02Å; F464-F511 AromaticContact CZ-CE1 3.68Å; F464-F511 HydrophobicContact CZ-CE1 3.68Å; F464-F511 HydrophobicContact CZ-CZ 4.02Å; W490-F511 HydrophobicContact CD2-CZ 4.16Å; W490-F511 AromaticContact CE3-CE2 3.79Å; W490-F511 HydrophobicContact CE3-CE2 3.79Å; W490-F511 AromaticContact CE3-CZ 3.51Å; W490-F511 HydrophobicContact CE3-CZ 3.51Å; W490-F511 HydrophobicContact CH2-CZ 4.31Å; W490-F511 AromaticContact CZ3-CE2 3.98Å; W490-F511 HydrophobicContact CZ3-CE2 3.98Å; W490-F511 AromaticContact CZ3-CZ 3.61Å; W490-F511 HydrophobicContact CZ3-CZ 3.61Å; I493-F511 HydrophobicContact CB-CD2 4.36Å; I493-F511 HydrophobicContact CB-CG 4.36Å; I493-F511 HydrophobicContact CD1-CD1 3.99Å; I493-F511 HydrophobicContact CD1-CD2 4.44Å; I493-F511 HydrophobicContact CD1-CE1 3.82Å; I493-F511 HydrophobicContact CD1-CE2 4.29Å; I493-F511 HydrophobicContact CD1-CG 4.29Å; I493-F511 HydrophobicContact CD1-CZ 3.98Å; I493-F511 HydrophobicContact CG2-CD2 3.64Å; I493-F511 HydrophobicContact CG2-CE2 3.93Å; I493-F511 HydrophobicContact CG2-CG 4.14Å; P497-F511 HydrophobicContact CB-CD1 4.14Å; P497-F511 HydrophobicContact CG-CD1 4.21Å; A500-F511 HydrophobicContact CB-CD1 3.86Å; A500-F511 HydrophobicContact CB-CE1 4.01Å; A500-F511 HydrophobicContact CB-CG 4.5Å; T509-F511 HydrophobicContact CG2-CD2 4.11Å; T509-F511 HydrophobicContact CG2-CE2 3.52Å; T509-F511 HydrophobicContact CG2-CZ 3.82Å; F511-Y517 CarbonylContact O-C 3.59Å; F511-Y517 WeakPolarHBondContact O-CA 3.34Å; F511-Y517 WeakPolarHBondContact O-CB 3.43Å; F511-W518 HydrophobicContact CB-CB 4.48Å; F511-W518 PolarHBondContact N-O 2.68Å; F511-W518 PolarHBondContact O-N 2.97Å; F511-F520 HydrophobicContact CD2-CB 4.04Å; F511-F520 HydrophobicContact CE2-CB 3.9Å; F511-F520 HydrophobicContact CE2-CG 4.13Å
512	Y	96.9	Very high	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.3	-178.8	163.8	-111.4	0	0	0	110.8	F357 V360 Q498 G499 G514 D516 I535	F357-Y512 HydrophobicContact CB-CE1 3.88Å; F357-Y512 HydrophobicContact CD2-CE1 4.17Å; F357-Y512 HydrophobicContact CD2-CE2 4.16Å; F357-Y512 AromaticContact CD2-CZ 3.66Å; F357-Y512 WeakPolarHBondContact CD2-OH 3.31Å; F357-Y512 PolarHBondContact N-OH 2.84Å; V360-Y512 HydrophobicContact CG2-CD1 3.91Å; V360-Y512 HydrophobicContact CG2-CE1 4.19Å; V360-Y512 HydrophobicContact CG2-CG 4.3Å; Q498-Y512 HydrophobicContact CB-CD1 3.97Å; Q498-Y512 HydrophobicContact CB-CE1 3.97Å; Q498-Y512 PolarHBondContact N-O 3.26Å; G499-Y512 PolarHBondContact N-O 3.31Å; G499-Y512 PolarHBondContact O-N 2.84Å; Y512-G514 WeakPolarHBondContact CE2-O 3.12Å; Y512-G514 VanDerWaalsContact CZ-O 3.25Å; Y512-G514 PolarHBondContact OH-O 2.96Å; Y512-D516 VanDerWaalsContact CD2-O 3.32Å; Y512-D516 WeakPolarHBondContact CD2-O 3.31Å; Y512-I535 HydrophobicContact CD2-CB 4.38Å; Y512-I535 HydrophobicContact CD2-CD1 3.49Å; Y512-I535 VanDerWaalsContact CD2-CD1 3.49Å; Y512-I535 HydrophobicContact CD2-CG2 4.04Å; Y512-I535 HydrophobicContact CE2-CD1 4.14Å; Y512-I535 HydrophobicContact CE2-CG2 3.79Å; Y512-I535 HydrophobicContact CG-CD1 4Å
513	K	96.3	Very high	89.2	Confident	75 Å²	75	49.7 Å²	49.7	33%	0.326	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	126.8	168.7	-167.4	179.2	-177.1	-176.7	0	110.9	P494 Q495 A496 Q498 R515 D516 W518	P494-K513 HydrophobicContact CB-CD 3.76Å; P494-K513 HydrophobicContact CG-CB 3.92Å; P494-K513 HydrophobicContact CG-CD 4.01Å; Q495-K513 WeakPolarHBondContact O-CD 3.41Å; Q495-K513 WeakPolarHBondContact O-CE 3.48Å; Q495-K513 PolarHBondContact O-NZ 2.98Å; A496-K513 WeakPolarHBondContact O-CE 3.31Å; Q498-K513 HydrophobicContact CG-CG 4.45Å; K513-R515 PolarHBondContact O-N 3.45Å; K513-R515 VanDerWaalsContact O-N 3.11Å; K513-D516 PolarHBondContact N-O 2.99Å; K513-D516 PolarHBondContact O-N 3.26Å; K513-D516 VanDerWaalsContact O-O 3.1Å; K513-W518 HydrophobicContact CB-CH2 4.13Å; K513-W518 HydrophobicContact CB-CZ3 3.73Å
514	G	92.8	Very high	89	Confident	20 Å²	20	55.3 Å²	55.3	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	-105	175.4	0	0	0	0	0	112.6	Y512	Y512-G514 WeakPolarHBondContact CE2-O 3.12Å; Y512-G514 VanDerWaalsContact CZ-O 3.25Å; Y512-G514 PolarHBondContact OH-O 2.96Å
515	R	93.7	Very high	89.2	Confident	84 Å²	84	51.1 Å²	51.1	32%	0.317	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	2.4	177.6	-62.1	-180	71.1	84.6	-5	112.5	D354 K513 N534 I535 L536	D354-R515 PolarHBondContact O-NH1 2.84Å; K513-R515 PolarHBondContact O-N 3.45Å; K513-R515 VanDerWaalsContact O-N 3.11Å; R515-N534 WeakPolarHBondContact O-CA 3.39Å; R515-N534 PolarHBondContact O-ND2 3.43Å; R515-I535 PolarHBondContact O-N 3.15Å; R515-L536 VanDerWaalsContact CZ-CD1 3.45Å
516	D	95.8	Very high	89.4	Confident	58 Å²	58	47 Å²	47	31%	0.31	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	154.7	-165.5	-62.4	-41.2	0	0	0	111.2	Y512 K513 W518 P532 R533	Y512-D516 VanDerWaalsContact CD2-O 3.32Å; Y512-D516 WeakPolarHBondContact CD2-O 3.31Å; K513-D516 PolarHBondContact N-O 2.99Å; K513-D516 PolarHBondContact O-N 3.26Å; K513-D516 VanDerWaalsContact O-O 3.1Å; D516-W518 HydrophobicContact CB-CH2 3.71Å; D516-W518 HydrophobicContact CB-CZ3 3.75Å; D516-W518 WeakPolarHBondContact O-CZ3 3.31Å; D516-P532 HydrophobicContact CB-CB 3.81Å; D516-R533 CarbonylContact C-O 3.6Å; D516-R533 WeakPolarHBondContact CA-O 3.41Å
517	Y	97.1	Very high	90.1	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.039	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.6	171.7	80.3	-77.2	0	0	0	110.7	Y510 F511 Y531 P532 R533 I535 D538 W539	Y510-Y517 AromaticContact CD1-CD2 3.75Å; Y510-Y517 HydrophobicContact CD1-CD2 3.75Å; Y510-Y517 AromaticContact CD1-CE2 3.75Å; Y510-Y517 HydrophobicContact CD1-CE2 3.75Å; Y510-Y517 HydrophobicContact CE1-CD2 4.47Å; Y510-Y517 HydrophobicContact CE1-CE2 4.02Å; F511-Y517 CarbonylContact O-C 3.59Å; F511-Y517 WeakPolarHBondContact O-CA 3.34Å; F511-Y517 WeakPolarHBondContact O-CB 3.43Å; Y517-Y531 HydrophobicContact CD2-CE1 4.12Å; Y517-Y531 HydrophobicContact CE2-CD1 4.29Å; Y517-Y531 AromaticContact CE2-CE1 3.47Å; Y517-Y531 HydrophobicContact CE2-CE1 3.47Å; Y517-Y531 VanDerWaalsContact CE2-CE1 3.47Å; Y517-Y531 AromaticContact CZ-CE1 3.67Å; Y517-Y531 WeakPolarHBondContact O-CD1 3.41Å; Y517-P532 WeakPolarHBondContact O-CA 3.4Å; Y517-R533 HydrophobicContact CD1-CB 4.05Å; Y517-R533 WeakPolarHBondContact CD1-O 3.42Å; Y517-R533 HydrophobicContact CE1-CB 3.42Å; Y517-R533 VanDerWaalsContact CE1-CB 3.42Å; Y517-R533 PolarHBondContact N-O 3.04Å; Y517-R533 PolarHBondContact O-N 3.05Å; Y517-I535 HydrophobicContact CD1-CB 3.98Å; Y517-I535 HydrophobicContact CD1-CG1 4.32Å; Y517-I535 HydrophobicContact CG-CB 4.48Å; Y517-D538 HydrophobicContact CE1-CB 3.88Å; Y517-D538 PolarHBondContact OH-OD2 2.87Å; Y517-W539 AromaticContact CD1-NE1 3.91Å; Y517-W539 AromaticContact CD2-NE1 3.61Å; Y517-W539 AromaticContact CE1-CD1 3.83Å; Y517-W539 AromaticContact CE1-NE1 3.64Å; Y517-W539 HydrophobicContact CE2-CZ2 4.42Å; Y517-W539 AromaticContact CE2-NE1 3.29Å; Y517-W539 VanDerWaalsContact CE2-NE1 3.29Å; Y517-W539 AromaticContact CG-NE1 3.91Å; Y517-W539 AromaticContact CZ-CD1 3.99Å; Y517-W539 AromaticContact CZ-NE1 3.34Å; Y517-W539 VanDerWaalsContact CZ-NE1 3.34Å
518	W	97.9	Very high	90.8	Very high	31 Å²	31	42.9 Å²	42.9	12%	0.117	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.2	179	-68.4	-110.7	0	0	0	108.3	G492 P494 Y510 F511 K513 D516 V527 P532	G492-W518 VanDerWaalsContact O-CD1 3.24Å; P494-W518 HydrophobicContact CB-CH2 4.07Å; P494-W518 HydrophobicContact CB-CZ2 3.99Å; P494-W518 HydrophobicContact CB-CZ3 4.45Å; P494-W518 HydrophobicContact CG-CD2 3.97Å; P494-W518 HydrophobicContact CG-CE3 3.73Å; P494-W518 HydrophobicContact CG-CH2 3.81Å; P494-W518 HydrophobicContact CG-CZ2 3.96Å; P494-W518 HydrophobicContact CG-CZ3 3.69Å; Y510-W518 CarbonylContact C-O 3.49Å; Y510-W518 VanDerWaalsContact CA-O 3.3Å; Y510-W518 WeakPolarHBondContact CA-O 3.47Å; F511-W518 HydrophobicContact CB-CB 4.48Å; F511-W518 PolarHBondContact N-O 2.68Å; F511-W518 PolarHBondContact O-N 2.97Å; K513-W518 HydrophobicContact CB-CH2 4.13Å; K513-W518 HydrophobicContact CB-CZ3 3.73Å; D516-W518 HydrophobicContact CB-CH2 3.71Å; D516-W518 HydrophobicContact CB-CZ3 3.75Å; D516-W518 WeakPolarHBondContact O-CZ3 3.31Å; W518-V527 HydrophobicContact CB-CG1 4.29Å; W518-V527 HydrophobicContact CB-CG2 4.07Å; W518-P532 HydrophobicContact CD2-CB 3.99Å; W518-P532 HydrophobicContact CE3-CB 4.49Å; W518-P532 HydrophobicContact CG-CB 4.5Å; W518-P532 HydrophobicContact CH2-CB 4.16Å; W518-P532 HydrophobicContact CZ2-CB 3.67Å; W518-P532 HydrophobicContact CZ2-CG 3.82Å
519	K	96.6	Very high	91	Very high	36 Å²	36	45.3 Å²	45.3	16%	0.157	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	112.7	172.7	-179	179.8	179	-169.2	0	109.1	Y508 Y510 V527 E528 Y531	Y508-K519 HydrophobicContact CD1-CD 4.23Å; Y508-K519 HydrophobicContact CD1-CG 4Å; Y508-K519 VanDerWaalsContact CD2-CE 3.45Å; Y508-K519 VanDerWaalsContact CE1-CE 3.4Å; Y508-K519 HydrophobicContact CG-CD 4.36Å; Y508-K519 HydrophobicContact CG-CG 4.2Å; Y510-K519 HydrophobicContact CD1-CB 3.93Å; Y510-K519 HydrophobicContact CD1-CG 4.09Å; Y510-K519 HydrophobicContact CE1-CB 3.73Å; Y510-K519 HydrophobicContact CE1-CD 3.87Å; Y510-K519 HydrophobicContact CE1-CG 3.51Å; K519-V527 WeakPolarHBondContact O-CA 3.31Å; K519-E528 HydrophobicContact CD-CG 4.43Å; K519-E528 HydrophobicContact CG-CG 4.41Å; K519-E528 PolarHBondContact O-N 2.66Å; K519-Y531 HydrophobicContact CB-CD1 3.93Å; K519-Y531 HydrophobicContact CB-CD2 3.92Å; K519-Y531 HydrophobicContact CB-CE1 3.48Å; K519-Y531 VanDerWaalsContact CB-CE1 3.48Å; K519-Y531 HydrophobicContact CB-CE2 3.48Å; K519-Y531 VanDerWaalsContact CB-CE2 3.48Å; K519-Y531 HydrophobicContact CB-CG 4.13Å; K519-Y531 HydrophobicContact CD-CE2 3.92Å; K519-Y531 VanDerWaalsContact CD-OH 3.3Å; K519-Y531 WeakPolarHBondContact CD-OH 3.35Å; K519-Y531 HydrophobicContact CG-CE2 4.29Å
520	F	88.1	Confident	91.2	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.9	179.5	-172.7	-94.1	0	0	0	110.3	W490 I493 Y508 T509 F511 L525 V527	W490-F520 HydrophobicContact CB-CE2 4.1Å; W490-F520 HydrophobicContact CB-CZ 4.41Å; W490-F520 HydrophobicContact CD2-CZ 4.32Å; W490-F520 AromaticContact CE3-CD1 3.94Å; W490-F520 HydrophobicContact CE3-CD1 3.94Å; W490-F520 HydrophobicContact CE3-CD2 4.38Å; W490-F520 AromaticContact CE3-CE1 3.54Å; W490-F520 HydrophobicContact CE3-CE1 3.54Å; W490-F520 HydrophobicContact CE3-CE2 4.03Å; W490-F520 HydrophobicContact CE3-CG 4.33Å; W490-F520 AromaticContact CE3-CZ 3.57Å; W490-F520 HydrophobicContact CE3-CZ 3.57Å; W490-F520 HydrophobicContact CZ3-CD1 4.02Å; W490-F520 AromaticContact CZ3-CE1 3.73Å; W490-F520 HydrophobicContact CZ3-CE1 3.73Å; W490-F520 HydrophobicContact CZ3-CZ 4.23Å; I493-F520 HydrophobicContact CG2-CD2 3.74Å; I493-F520 HydrophobicContact CG2-CE2 4.36Å; I493-F520 HydrophobicContact CG2-CG 4.47Å; Y508-F520 WeakPolarHBondContact CA-O 3.48Å; T509-F520 PolarHBondContact N-O 2.95Å; T509-F520 WeakPolarHBondContact O-CA 3.23Å; T509-F520 VanDerWaalsContact O-CB 3.25Å; T509-F520 WeakPolarHBondContact O-CB 3.25Å; T509-F520 PolarHBondContact O-N 3.49Å; F511-F520 HydrophobicContact CD2-CB 4.04Å; F511-F520 HydrophobicContact CE2-CB 3.9Å; F511-F520 HydrophobicContact CE2-CG 4.13Å; F520-L525 HydrophobicContact CE1-CD2 4.01Å; F520-L525 VanDerWaalsContact CE2-C 3.44Å; F520-L525 HydrophobicContact CZ-CB 4.04Å; F520-L525 HydrophobicContact CZ-CD2 4.21Å; F520-V527 HydrophobicContact CD2-CG2 4.08Å
521	D	86.6	Confident	91.3	Very high	11 Å²	11	49 Å²	49	6%	0.059	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.3	174.2	-175.9	-42.3	0	0	0	109.3	Y508 Q523 K524 L525 S526 E528	Y508-D521 HydrophobicContact CD1-CB 4.41Å; Y508-D521 HydrophobicContact CE1-CB 4.33Å; D521-Q523 PolarHBondContact O-N 3.38Å; D521-Q523 WeakPolarHBondContact OD1-CA 3.29Å; D521-Q523 WeakPolarHBondContact OD1-CB 3.3Å; D521-Q523 PolarHBondContact OD1-N 2.81Å; D521-K524 HydrophobicContact CB-CB 4.07Å; D521-K524 HydrophobicContact CB-CD 4.34Å; D521-K524 HydrophobicContact CB-CG 4.37Å; D521-K524 PolarHBondContact OD1-N 2.86Å; D521-K524 WeakPolarHBondContact OD2-CD 3.33Å; D521-K524 WeakPolarHBondContact OD2-CE 3.5Å; D521-K524 WeakPolarHBondContact OD2-CG 3.38Å; D521-K524 IonicContact OD2-NZ 3.92Å; D521-K524 PolarHBondContact OD2-NZ 2.94Å; D521-L525 VanDerWaalsContact O-CA 3.32Å; D521-L525 WeakPolarHBondContact O-CA 3.25Å; D521-L525 PolarHBondContact O-N 3.24Å; D521-S526 PolarHBondContact N-O 2.96Å; D521-E528 HydrophobicContact CB-CG 4.25Å
522	N	81.5	Confident	91.3	Very high	14 Å²	14	52.3 Å²	52.3	8%	0.075	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.9	-175.9	-69.4	-24.9	0	0	0	113.1	W455 P457 G506 Y507 T509 L525	W455-N522 HydrophobicContact CZ2-CB 4.03Å; W455-N522 PolarHBondContact NE1-OD1 3.43Å; P457-N522 HydrophobicContact CG-CB 4.2Å; G506-N522 PolarHBondContact O-ND2 2.81Å; Y507-N522 WeakPolarHBondContact O-CB 3.44Å; Y507-N522 PolarHBondContact O-N 3.04Å; Y507-N522 PolarHBondContact O-ND2 3.42Å; T509-N522 WeakPolarHBondContact CB-OD1 3.16Å; T509-N522 PolarHBondContact OG1-ND2 3.06Å; T509-N522 PolarHBondContact OG1-OD1 2.72Å; N522-L525 WeakPolarHBondContact O-CD2 3.29Å
523	Q	78.1	Confident	91.2	Very high	163 Å²	163	57.4 Å²	57.4	76%	0.762	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-46.7	177.6	-64.8	-173.9	-11.2	0	0	111.5	D521 L525	D521-Q523 PolarHBondContact O-N 3.38Å; D521-Q523 WeakPolarHBondContact OD1-CA 3.29Å; D521-Q523 WeakPolarHBondContact OD1-CB 3.3Å; D521-Q523 PolarHBondContact OD1-N 2.81Å; Q523-L525 VanDerWaalsContact C-N 3.26Å; Q523-L525 PolarHBondContact O-N 3.37Å
524	K	80.3	Confident	91.1	Very high	128 Å²	128	55.4 Å²	55.4	56%	0.557	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.4	177.9	-60	176.9	-161.2	156.8	0	112.9	D521 S526 E528	D521-K524 HydrophobicContact CB-CB 4.07Å; D521-K524 HydrophobicContact CB-CD 4.34Å; D521-K524 HydrophobicContact CB-CG 4.37Å; D521-K524 PolarHBondContact OD1-N 2.86Å; D521-K524 WeakPolarHBondContact OD2-CD 3.33Å; D521-K524 WeakPolarHBondContact OD2-CE 3.5Å; D521-K524 WeakPolarHBondContact OD2-CG 3.38Å; D521-K524 IonicContact OD2-NZ 3.92Å; D521-K524 PolarHBondContact OD2-NZ 2.94Å; K524-S526 VanDerWaalsContact C-N 3.26Å; K524-S526 PolarHBondContact O-N 2.88Å; K524-E528 IonicContact NZ-OE1 3.04Å; K524-E528 PolarHBondContact NZ-OE1 3.27Å
525	L	81.7	Confident	91.2	Very high	81 Å²	81	54.5 Å²	54.5	42%	0.424	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	43.4	-174.1	-58.7	176	0	0	0	112.5	W455 F520 D521 N522 Q523	W455-L525 HydrophobicContact CH2-CD2 3.85Å; W455-L525 HydrophobicContact CZ2-CD2 4.09Å; F520-L525 HydrophobicContact CE1-CD2 4.01Å; F520-L525 VanDerWaalsContact CE2-C 3.44Å; F520-L525 HydrophobicContact CZ-CB 4.04Å; F520-L525 HydrophobicContact CZ-CD2 4.21Å; D521-L525 VanDerWaalsContact O-CA 3.32Å; D521-L525 WeakPolarHBondContact O-CA 3.25Å; D521-L525 PolarHBondContact O-N 3.24Å; N522-L525 WeakPolarHBondContact O-CD2 3.29Å; Q523-L525 VanDerWaalsContact C-N 3.26Å; Q523-L525 PolarHBondContact O-N 3.37Å
526	S	80.8	Confident	91.1	Very high	34 Å²	34	50.5 Å²	50.5	24%	0.238	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	155.5	177	57.2	0	0	0	0	111.7	K491 D521 K524	K491-S526 CarbonylContact O-C 3.53Å; K491-S526 WeakPolarHBondContact O-CA 3.37Å; D521-S526 PolarHBondContact N-O 2.96Å; K524-S526 VanDerWaalsContact C-N 3.26Å; K524-S526 PolarHBondContact O-N 2.88Å
527	V	93.1	Very high	90.8	Very high	26 Å²	26	53.4 Å²	53.4	16%	0.158	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	134.5	171.8	171.3	0	0	0	0	110.4	K491 I493 W518 K519 F520 Y531	K491-V527 PolarHBondContact O-N 3.42Å; I493-V527 HydrophobicContact CG2-CG2 3.63Å; W518-V527 HydrophobicContact CB-CG1 4.29Å; W518-V527 HydrophobicContact CB-CG2 4.07Å; K519-V527 WeakPolarHBondContact O-CA 3.31Å; F520-V527 HydrophobicContact CD2-CG2 4.08Å; V527-Y531 HydrophobicContact CG1-CG 4.41Å
528	E	96.1	Very high	90.5	Very high	37 Å²	37	54.7 Å²	54.7	17%	0.173	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-64.1	148.2	177.3	-76.8	-78.2	97	0	0	111.5	Y508 K519 D521 K524 Y531	Y508-E528 HydrophobicContact CE1-CG 4.32Å; K519-E528 HydrophobicContact CD-CG 4.43Å; K519-E528 HydrophobicContact CG-CG 4.41Å; K519-E528 PolarHBondContact O-N 2.66Å; D521-E528 HydrophobicContact CB-CG 4.25Å; K524-E528 IonicContact NZ-OE1 3.04Å; K524-E528 PolarHBondContact NZ-OE1 3.27Å; E528-Y531 HydrophobicContact CB-CD2 3.99Å; E528-Y531 HydrophobicContact CB-CE2 4.06Å; E528-Y531 WeakPolarHBondContact O-CD2 3.27Å
529	P	94.9	Very high	90.2	Very high	116 Å²	116	55.8 Å²	55.8	75%	0.753	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	144.2	174.9	-24.1	34.2	0	0	0	112.7
530	G	94	Very high	90	Very high	58 Å²	58	54.3 Å²	54.3	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	18.6	179.5	0	0	0	0	0	115	R533	G530-R533 WeakPolarHBondContact O-CG 3.33Å; G530-R533 PolarHBondContact O-NE 3.03Å
531	Y	97.1	Very high	89.9	Confident	47 Å²	47	56.3 Å²	56.3	18%	0.184	30%	0.302	C	S	.	.			trans	-114.5	152.3	169.4	-72.2	-90	0	0	0	110.6	Y517 K519 V527 E528 R533	Y517-Y531 HydrophobicContact CD2-CE1 4.12Å; Y517-Y531 HydrophobicContact CE2-CD1 4.29Å; Y517-Y531 AromaticContact CE2-CE1 3.47Å; Y517-Y531 HydrophobicContact CE2-CE1 3.47Å; Y517-Y531 VanDerWaalsContact CE2-CE1 3.47Å; Y517-Y531 AromaticContact CZ-CE1 3.67Å; Y517-Y531 WeakPolarHBondContact O-CD1 3.41Å; K519-Y531 HydrophobicContact CB-CD1 3.93Å; K519-Y531 HydrophobicContact CB-CD2 3.92Å; K519-Y531 HydrophobicContact CB-CE1 3.48Å; K519-Y531 VanDerWaalsContact CB-CE1 3.48Å; K519-Y531 HydrophobicContact CB-CE2 3.48Å; K519-Y531 VanDerWaalsContact CB-CE2 3.48Å; K519-Y531 HydrophobicContact CB-CG 4.13Å; K519-Y531 HydrophobicContact CD-CE2 3.92Å; K519-Y531 VanDerWaalsContact CD-OH 3.3Å; K519-Y531 WeakPolarHBondContact CD-OH 3.35Å; K519-Y531 HydrophobicContact CG-CE2 4.29Å; V527-Y531 HydrophobicContact CG1-CG 4.41Å; E528-Y531 HydrophobicContact CB-CD2 3.99Å; E528-Y531 HydrophobicContact CB-CE2 4.06Å; E528-Y531 WeakPolarHBondContact O-CD2 3.27Å; Y531-R533 HydrophobicContact CD1-CB 4.11Å; Y531-R533 HydrophobicContact CD1-CG 3.89Å; Y531-R533 HydrophobicContact CE1-CB 4.11Å; Y531-R533 HydrophobicContact CE1-CG 3.88Å; Y531-R533 HydrophobicContact CG-CG 4.49Å
532	P	97	Very high	89.9	Confident	68 Å²	68	56.1 Å²	56.1	44%	0.442	30%	0.301	S	S	.	.			cis	-68.2	156.6	5.7	21.5	-28.9	0	0	0	115.5	D516 Y517 W518	D516-P532 HydrophobicContact CB-CB 3.81Å; Y517-P532 WeakPolarHBondContact O-CA 3.4Å; W518-P532 HydrophobicContact CD2-CB 3.99Å; W518-P532 HydrophobicContact CE3-CB 4.49Å; W518-P532 HydrophobicContact CG-CB 4.5Å; W518-P532 HydrophobicContact CH2-CB 4.16Å; W518-P532 HydrophobicContact CZ2-CB 3.67Å; W518-P532 HydrophobicContact CZ2-CG 3.82Å
533	R	95.6	Very high	89.9	Confident	107 Å²	107	63 Å²	63	40%	0.404	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	161.3	169.6	-71.8	-172.8	177.6	-161.8	-0.4	110.8	D516 Y517 G530 Y531 I535	D516-R533 CarbonylContact C-O 3.6Å; D516-R533 WeakPolarHBondContact CA-O 3.41Å; Y517-R533 HydrophobicContact CD1-CB 4.05Å; Y517-R533 WeakPolarHBondContact CD1-O 3.42Å; Y517-R533 HydrophobicContact CE1-CB 3.42Å; Y517-R533 VanDerWaalsContact CE1-CB 3.42Å; Y517-R533 PolarHBondContact N-O 3.04Å; Y517-R533 PolarHBondContact O-N 3.05Å; G530-R533 WeakPolarHBondContact O-CG 3.33Å; G530-R533 PolarHBondContact O-NE 3.03Å; Y531-R533 HydrophobicContact CD1-CB 4.11Å; Y531-R533 HydrophobicContact CD1-CG 3.89Å; Y531-R533 HydrophobicContact CE1-CB 4.11Å; Y531-R533 HydrophobicContact CE1-CG 3.88Å; Y531-R533 HydrophobicContact CG-CG 4.49Å; R533-I535 PolarHBondContact O-N 3.01Å
534	N	94.3	Very high	89.2	Confident	34 Å²	34	61 Å²	61	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	118.9	-178.4	-169	-83.4	0	0	0	111.9	R515 L536 R537 D538	R515-N534 WeakPolarHBondContact O-CA 3.39Å; R515-N534 PolarHBondContact O-ND2 3.43Å; N534-L536 VanDerWaalsContact C-N 3.3Å; N534-L536 PolarHBondContact O-N 2.97Å; N534-L536 WeakPolarHBondContact OD1-CA 3.42Å; N534-L536 VanDerWaalsContact OD1-CB 3.24Å; N534-L536 WeakPolarHBondContact OD1-CB 3.39Å; N534-L536 PolarHBondContact OD1-N 3.5Å; N534-R537 HydrophobicContact CB-CB 4.37Å; N534-R537 PolarHBondContact OD1-N 3.31Å; N534-R537 VanDerWaalsContact OD1-N 3.16Å; N534-D538 PolarHBondContact O-N 3.21Å
535	I	94.3	Very high	88.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.7	-29.8	-177.6	-161.9	172.5	0	0	0	112.4	F357 Y512 R515 Y517 R533 W539 M540	F357-I535 HydrophobicContact CE2-CG2 4.33Å; Y512-I535 HydrophobicContact CD2-CB 4.38Å; Y512-I535 HydrophobicContact CD2-CD1 3.49Å; Y512-I535 VanDerWaalsContact CD2-CD1 3.49Å; Y512-I535 HydrophobicContact CD2-CG2 4.04Å; Y512-I535 HydrophobicContact CE2-CD1 4.14Å; Y512-I535 HydrophobicContact CE2-CG2 3.79Å; Y512-I535 HydrophobicContact CG-CD1 4Å; R515-I535 PolarHBondContact O-N 3.15Å; Y517-I535 HydrophobicContact CD1-CB 3.98Å; Y517-I535 HydrophobicContact CD1-CG1 4.32Å; Y517-I535 HydrophobicContact CG-CB 4.48Å; R533-I535 PolarHBondContact O-N 3.01Å; I535-W539 HydrophobicContact CG1-CB 3.99Å; I535-W539 HydrophobicContact CG1-CG 4Å; I535-W539 WeakPolarHBondContact O-CB 3.34Å; I535-W539 PolarHBondContact O-N 3.24Å; I535-M540 HydrophobicContact CD1-CE 3.83Å; I535-M540 HydrophobicContact CG1-CE 3.83Å; I535-M540 PolarHBondContact O-N 3.43Å
536	L	92.9	Very high	87.1	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-69.1	-38.8	-176.2	-51.4	174.3	0	0	0	111.2	C353 F357 R515 N534 M540 C542	C353-L536 WeakPolarHBondContact O-CD1 3.19Å; F357-L536 HydrophobicContact CE2-CD2 3.81Å; F357-L536 HydrophobicContact CZ-CD2 3.69Å; R515-L536 VanDerWaalsContact CZ-CD1 3.45Å; N534-L536 VanDerWaalsContact C-N 3.3Å; N534-L536 PolarHBondContact O-N 2.97Å; N534-L536 WeakPolarHBondContact OD1-CA 3.42Å; N534-L536 VanDerWaalsContact OD1-CB 3.24Å; N534-L536 WeakPolarHBondContact OD1-CB 3.39Å; N534-L536 PolarHBondContact OD1-N 3.5Å; L536-M540 HydrophobicContact CD2-CB 4.5Å; L536-M540 HydrophobicContact CD2-CG 3.95Å; L536-M540 WeakPolarHBondContact O-CB 3.49Å; L536-M540 PolarHBondContact O-N 3.46Å; L536-C542 HydrophobicContact CB-CB 4.33Å; L536-C542 WeakPolarHBondContact O-CB 3.26Å; L536-C542 PolarHBondContact O-N 2.98Å
537	R	89.2	Confident	86.1	Confident	119 Å²	119	64.4 Å²	64.4	45%	0.449	33%	0.332	S	S	.	.	H	α-helix	trans	-70.9	-47.7	176.3	-172.2	-170.6	67.2	-162.6	-5.6	111.7	N534	N534-R537 HydrophobicContact CB-CB 4.37Å; N534-R537 PolarHBondContact OD1-N 3.31Å; N534-R537 VanDerWaalsContact OD1-N 3.16Å
538	D	90.7	Very high	84.4	Confident	38 Å²	38	68 Å²	68	20%	0.203	35%	0.347	C	S	.	.	H	α-helix	trans	-88.3	-24.6	-166	-64.9	-10.5	0	0	0	113.1	N381 Y517 N534	N381-D538 PolarHBondContact ND2-O 3.02Å; Y517-D538 HydrophobicContact CE1-CB 3.88Å; Y517-D538 PolarHBondContact OH-OD2 2.87Å; N534-D538 PolarHBondContact O-N 3.21Å
539	W	90.9	Very high	82.5	Confident	53 Å²	53	74.4 Å²	74.4	20%	0.201	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-36	-175.6	-63.3	85.6	0	0	0	114.4	M367 L378 N381 F501 Y510 Y517 I535 G541	M367-W539 HydrophobicContact CE-CD2 3.92Å; M367-W539 HydrophobicContact CE-CE3 3.2Å; M367-W539 HydrophobicContact CE-CZ3 3.57Å; M367-W539 HydrophobicContact SD-CB 4.46Å; M367-W539 HydrophobicContact SD-CE3 4.2Å; L378-W539 WeakPolarHBondContact CD2-O 3.27Å; N381-W539 WeakPolarHBondContact CA-O 3.3Å; N381-W539 PolarHBondContact OD1-O 3.03Å; F501-W539 HydrophobicContact CE2-CE3 4.33Å; F501-W539 AromaticContact CE2-CH2 3.42Å; F501-W539 HydrophobicContact CE2-CH2 3.42Å; F501-W539 VanDerWaalsContact CE2-CH2 3.42Å; F501-W539 AromaticContact CE2-CZ2 3.71Å; F501-W539 HydrophobicContact CE2-CZ2 3.71Å; F501-W539 AromaticContact CE2-CZ3 3.74Å; F501-W539 HydrophobicContact CE2-CZ3 3.74Å; F501-W539 HydrophobicContact CZ-CD2 4.19Å; F501-W539 AromaticContact CZ-CE2 3.96Å; F501-W539 HydrophobicContact CZ-CE3 4.27Å; F501-W539 AromaticContact CZ-CH2 3.94Å; F501-W539 HydrophobicContact CZ-CH2 3.94Å; F501-W539 AromaticContact CZ-CZ2 3.84Å; F501-W539 HydrophobicContact CZ-CZ2 3.84Å; F501-W539 HydrophobicContact CZ-CZ3 4.13Å; Y510-W539 HydrophobicContact CD1-CZ2 4.03Å; Y510-W539 HydrophobicContact CD2-CH2 4.2Å; Y510-W539 HydrophobicContact CD2-CZ2 4.1Å; Y510-W539 AromaticContact CE1-CZ2 3.97Å; Y510-W539 HydrophobicContact CE1-CZ2 3.97Å; Y510-W539 HydrophobicContact CE2-CH2 4.05Å; Y510-W539 HydrophobicContact CE2-CZ2 4.06Å; Y510-W539 HydrophobicContact CG-CZ2 4.08Å; Y510-W539 AromaticContact CZ-CZ2 4Å; Y517-W539 AromaticContact CD1-NE1 3.91Å; Y517-W539 AromaticContact CD2-NE1 3.61Å; Y517-W539 AromaticContact CE1-CD1 3.83Å; Y517-W539 AromaticContact CE1-NE1 3.64Å; Y517-W539 HydrophobicContact CE2-CZ2 4.42Å; Y517-W539 AromaticContact CE2-NE1 3.29Å; Y517-W539 VanDerWaalsContact CE2-NE1 3.29Å; Y517-W539 AromaticContact CG-NE1 3.91Å; Y517-W539 AromaticContact CZ-CD1 3.99Å; Y517-W539 AromaticContact CZ-NE1 3.34Å; Y517-W539 VanDerWaalsContact CZ-NE1 3.34Å; I535-W539 HydrophobicContact CG1-CB 3.99Å; I535-W539 HydrophobicContact CG1-CG 4Å; I535-W539 WeakPolarHBondContact O-CB 3.34Å; I535-W539 PolarHBondContact O-N 3.24Å; W539-G541 VanDerWaalsContact C-N 3.34Å; W539-G541 PolarHBondContact O-N 3.34Å
540	M	92.2	Very high	80.5	Confident	5 Å²	5	75.2 Å²	75.2	3%	0.025	36%	0.358	C	S	.	.	S	Bend	trans	-87.3	-1.8	-172.4	-52.4	-61.5	146.9	0	0	114.2	I352 F357 M367 V369 L378 I535 L536 C542	I352-M540 HydrophobicContact CD1-CB 4.25Å; I352-M540 HydrophobicContact CD1-CG 4.42Å; I352-M540 HydrophobicContact CD1-SD 3.68Å; I352-M540 HydrophobicContact CG1-CB 4.29Å; I352-M540 HydrophobicContact CG1-CG 4.37Å; I352-M540 HydrophobicContact CG1-SD 4.04Å; F357-M540 HydrophobicContact CE2-CE 3.93Å; F357-M540 HydrophobicContact CE2-CG 4.06Å; F357-M540 HydrophobicContact CE2-SD 4.01Å; F357-M540 HydrophobicContact CZ-CG 3.99Å; F357-M540 HydrophobicContact CZ-SD 3.99Å; M367-M540 HydrophobicContact SD-CE 3.89Å; V369-M540 HydrophobicContact CG2-CE 3.72Å; V369-M540 HydrophobicContact CG2-SD 3.8Å; L378-M540 HydrophobicContact CD2-SD 3.66Å; I535-M540 HydrophobicContact CD1-CE 3.83Å; I535-M540 HydrophobicContact CG1-CE 3.83Å; I535-M540 PolarHBondContact O-N 3.43Å; L536-M540 HydrophobicContact CD2-CB 4.5Å; L536-M540 HydrophobicContact CD2-CG 3.95Å; L536-M540 WeakPolarHBondContact O-CB 3.49Å; L536-M540 PolarHBondContact O-N 3.46Å; M540-C542 VanDerWaalsContact C-N 3.26Å; M540-C542 PolarHBondContact O-N 3.35Å
541	G	85.9	Confident	78.6	Confident	44 Å²	44	80.7 Å²	80.7	45%	0.454	37%	0.365	S	S	.	.			trans	72.3	14.4	179.8	0	0	0	0	0	114.6	N381 W539	N381-G541 VanDerWaalsContact O-CA 3.31Å; N381-G541 WeakPolarHBondContact O-CA 3.48Å; W539-G541 VanDerWaalsContact C-N 3.34Å; W539-G541 PolarHBondContact O-N 3.34Å
542	C	88.1	Confident	76.4	Confident	6 Å²	6	86 Å²	86	4%	0.041	39%	0.391	C	S	.	.			trans	-76	129.7	-177.5	-57.4	0	0	0	0	111.2	C353 L536 M540 V547	C353-C542 WeakPolarHBondContact CA-SG 3.24Å; C353-C542 HydrophobicContact CB-CB 3.91Å; C353-C542 WeakPolarHBondContact CB-SG 3.41Å; C353-C542 WeakPolarHBondContact SG-CB 3.43Å; C353-C542 CovalentContact SG-SG 2.03Å; C353-C542 PolarHBondContact SG-SG 3.16Å; L536-C542 HydrophobicContact CB-CB 4.33Å; L536-C542 WeakPolarHBondContact O-CB 3.26Å; L536-C542 PolarHBondContact O-N 2.98Å; M540-C542 VanDerWaalsContact C-N 3.26Å; M540-C542 PolarHBondContact O-N 3.35Å; C542-V547 HydrophobicContact CB-CG2 4.09Å
543	K	81.1	Confident	74.3	Confident	158 Å²	158	90.9 Å²	90.9	69%	0.687	40%	0.401	S	S	*	.			trans	-77.3	148.7	177.2	-65.5	-179.9	-178.3	176.3	0	110.5	K545 E546 V547	K543-K545 VanDerWaalsContact C-N 3.28Å; K543-K545 PolarHBondContact O-N 3.41Å; K543-K545 VanDerWaalsContact O-N 3.16Å; K543-E546 PolarHBondContact N-OE2 3.45Å; K543-E546 WeakPolarHBondContact O-CB 3.11Å; K543-E546 PolarHBondContact O-N 3.47Å; K543-V547 PolarHBondContact O-N 3.45Å
544	Q	64	Low	72.1	Confident	123 Å²	123	95.9 Å²	95.9	58%	0.575	42%	0.42	S	S	*	.	H	α-helix	trans	-53.9	-40.3	-175	-171.8	144.7	-12.8	0	0	114	E546 V547 E548	Q544-E546 PolarHBondContact O-N 2.87Å; Q544-V547 PolarHBondContact O-N 3.15Å; Q544-V547 VanDerWaalsContact O-N 3.09Å; Q544-E548 HydrophobicContact CG-CG 4.34Å; Q544-E548 VanDerWaalsContact CG-OE1 3.24Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.46Å; Q544-E548 PolarHBondContact NE2-OE1 2.91Å; Q544-E548 PolarHBondContact O-N 3.35Å
545	K	57	Low	69.4	Low	177 Å²	177	101 Å²	101	77%	0.77	45%	0.446	S	S	*	.	H	α-helix	trans	-60	-30.4	176.5	-67.5	-172.3	178.6	-175.5	0	113.6	K543 R549	K543-K545 VanDerWaalsContact C-N 3.28Å; K543-K545 PolarHBondContact O-N 3.41Å; K543-K545 VanDerWaalsContact O-N 3.16Å; K545-R549 WeakPolarHBondContact O-CB 3.44Å; K545-R549 PolarHBondContact O-N 3.04Å
546	E	60.1	Low	66.8	Low	106 Å²	106	106.8 Å²	106.8	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-77.3	-31	178.2	-64.4	175	161.3	0	0	111.8	K543 Q544	K543-E546 PolarHBondContact N-OE2 3.45Å; K543-E546 WeakPolarHBondContact O-CB 3.11Å; K543-E546 PolarHBondContact O-N 3.47Å; Q544-E546 PolarHBondContact O-N 2.87Å
547	V	58.8	Low	64.3	Low	30 Å²	30	115.6 Å²	115.6	18%	0.182	53%	0.526	C	S	.	.	H	α-helix	trans	-76.7	-40.6	179.3	-176.4	0	0	0	0	111.3	C542 K543 Q544	C542-V547 HydrophobicContact CB-CG2 4.09Å; K543-V547 PolarHBondContact O-N 3.45Å; Q544-V547 PolarHBondContact O-N 3.15Å; Q544-V547 VanDerWaalsContact O-N 3.09Å
548	E	57.6	Low	61.7	Low	102 Å²	102	117 Å²	117	48%	0.477	54%	0.542	S	S	.	.	H	α-helix	trans	-76.2	-42.4	-177.1	-73	170.1	178.6	0	0	113.1	Q544 R550 K551	Q544-E548 HydrophobicContact CG-CG 4.34Å; Q544-E548 VanDerWaalsContact CG-OE1 3.24Å; Q544-E548 WeakPolarHBondContact CG-OE1 3.46Å; Q544-E548 PolarHBondContact NE2-OE1 2.91Å; Q544-E548 PolarHBondContact O-N 3.35Å; E548-R550 PolarHBondContact O-N 3.33Å; E548-K551 PolarHBondContact O-N 3.21Å
549	R	55.9	Low	59.1	Low	172 Å²	172	123.2 Å²	123.2	65%	0.649	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-8.3	-175.7	-170.4	176.5	162.7	-131.8	-2.8	115	K545	K545-R549 WeakPolarHBondContact O-CB 3.44Å; K545-R549 PolarHBondContact O-N 3.04Å
550	R	54.2	Low	56.7	Low	133 Å²	133	127 Å²	127	50%	0.502	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.9	-8.9	173.8	-89.7	-174.9	173.5	-163.7	-4.7	115.2	D354 E548 E552 R553	D354-R550 IonicContact OD1-CZ 3.86Å; D354-R550 IonicContact OD1-NH1 2.72Å; D354-R550 PolarHBondContact OD1-NH1 2.9Å; D354-R550 IonicContact OD2-NH1 3.4Å; E548-R550 PolarHBondContact O-N 3.33Å; R550-E552 VanDerWaalsContact C-N 3.32Å; R550-R553 PolarHBondContact O-N 3.23Å
551	K	54.4	Low	53.9	Low	172 Å²	172	134.4 Å²	134.4	75%	0.748	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-42.2	167.3	-98.6	-173.6	173.5	-175.5	0	110.4	E548 R553 R554	E548-K551 PolarHBondContact O-N 3.21Å; K551-R553 VanDerWaalsContact C-N 3.26Å; K551-R553 PolarHBondContact O-N 3.4Å; K551-R554 PolarHBondContact O-N 2.9Å
552	E	49.4	Very low	51.6	Low	158 Å²	158	139.5 Å²	139.5	74%	0.738	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-61	-31	177.1	-76.6	173.1	161	0	0	113.4	R550 R554	R550-E552 VanDerWaalsContact C-N 3.32Å; E552-R554 VanDerWaalsContact C-N 3.27Å; E552-R554 PolarHBondContact O-N 2.95Å
553	R	53.8	Low	49	Very low	172 Å²	172	147 Å²	147	65%	0.649	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-77.3	-3.6	-176.4	-69.1	-171.7	177.1	-165.8	-4.7	115.1	R550 K551	R550-R553 PolarHBondContact O-N 3.23Å; K551-R553 VanDerWaalsContact C-N 3.26Å; K551-R553 PolarHBondContact O-N 3.4Å
554	R	48.9	Very low	46.7	Very low	212 Å²	212	145 Å²	145	80%	0.8	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-118.3	-3.9	-174.1	-77.7	-169	-178.5	-159.9	0.2	115.3	K551 E552 P556	K551-R554 PolarHBondContact O-N 2.9Å; E552-R554 VanDerWaalsContact C-N 3.27Å; E552-R554 PolarHBondContact O-N 2.95Å; R554-P556 WeakPolarHBondContact O-CD 3.35Å
555	L	37.8	Very low	45.4	Very low	140 Å²	140	143.6 Å²	143.6	73%	0.733	70%	0.696	S	S	*	*	S	Bend	trans	-82.4	121.7	174.1	-72	164.4	0	0	0	108.8	Q557	L555-Q557 PolarHBondContact O-N 2.87Å
556	P	40.6	Very low	44.7	Very low	122 Å²	122	142.5 Å²	142.5	79%	0.792	70%	0.697	S	S	*	*			trans	-62.5	123.8	167.3	-13.2	28.2	0	0	0	108	R554 D558	R554-P556 WeakPolarHBondContact O-CD 3.35Å; P556-D558 PolarHBondContact O-N 3.17Å; P556-D558 VanDerWaalsContact O-N 3.07Å
557	Q	39.6	Very low	43.7	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	71%	0.707	S	S	*	*	S	Bend	trans	-75.6	89.6	-176.8	-179.4	-176.8	-12.1	0	0	109.2	L555	L555-Q557 PolarHBondContact O-N 2.87Å
558	D	34.1	Very low	43	Very low	149 Å²	149	149.5 Å²	149.5	80%	0.797	74%	0.737	S	S	*	*			trans	-159.9	90.2	156.6	-85.8	-32.5	0	0	0	106.5	P556	P556-D558 PolarHBondContact O-N 3.17Å; P556-D558 VanDerWaalsContact O-N 3.07Å
559	D	36.9	Very low	42.6	Very low	167 Å²	167	150 Å²	150	89%	0.893	75%	0.746	S	S	*	*	S	Bend	trans	-175.6	139.3	137.6	-91.3	-26.8	0	0	0	110.5
560	V	39.8	Very low	42.1	Very low	134 Å²	134	146.2 Å²	146.2	81%	0.812	74%	0.744	S	S	*	*			trans	-70	136.8	-160.2	-173.8	0	0	0	0	112.2	I562	V560-I562 PolarHBondContact O-N 3.31Å; V560-I562 VanDerWaalsContact O-N 3.1Å
561	D	34.1	Very low	42.1	Very low	159 Å²	159	142.8 Å²	142.8	85%	0.85	75%	0.75	S	S	*	*			trans	-56.7	108.7	176.1	-74.1	-44.9	0	0	0	111.8
562	I	37.1	Very low	42.2	Very low	152 Å²	152	138 Å²	138	78%	0.779	74%	0.738	S	S	*	*			trans	-93.5	96	158.4	-59	177.4	0	0	0	107	V560 V564	V560-I562 PolarHBondContact O-N 3.31Å; V560-I562 VanDerWaalsContact O-N 3.1Å; I562-V564 HydrophobicContact CG2-CG2 4.11Å; I562-V564 PolarHBondContact O-N 3.1Å
563	M	34.4	Very low	42.6	Very low	162 Å²	162	134.4 Å²	134.4	80%	0.798	73%	0.727	S	S	*	*			trans	-67.9	96	169.4	178.8	172.9	47	0	0	109	T565	M563-T565 HydrophobicContact CG-CG2 4.27Å; M563-T565 PolarHBondContact O-N 3.1Å
564	V	32.9	Very low	43.1	Very low	116 Å²	116	132 Å²	132	70%	0.703	73%	0.727	S	S	*	*			trans	-82.3	100	165.4	-178.3	0	0	0	0	107.2	I562 I566	I562-V564 HydrophobicContact CG2-CG2 4.11Å; I562-V564 PolarHBondContact O-N 3.1Å; V564-I566 PolarHBondContact O-N 3.43Å
565	T	36.5	Very low	43.9	Very low	95 Å²	95	124.5 Å²	124.5	58%	0.583	71%	0.71	S	S	*	*			trans	-64	111.6	165.4	46.3	0	0	0	0	108.1	M563 D567	M563-T565 HydrophobicContact CG-CG2 4.27Å; M563-T565 PolarHBondContact O-N 3.1Å; T565-D567 PolarHBondContact O-N 3.43Å
566	I	41	Very low	45.6	Very low	153 Å²	153	122.1 Å²	122.1	79%	0.785	70%	0.701	S	S	*	*			trans	-77.6	100.2	167.2	-60.6	174.4	0	0	0	105.6	V564	V564-I566 PolarHBondContact O-N 3.43Å
567	D	39.6	Very low	47.3	Very low	133 Å²	133	119.4 Å²	119.4	71%	0.711	69%	0.689	S	S	*	*			trans	-59.5	136.1	170.7	-69.2	-44.9	0	0	0	110.3	T565	T565-D567 PolarHBondContact O-N 3.43Å
568	D	44.6	Very low	49.2	Very low	151 Å²	151	115 Å²	115	81%	0.807	68%	0.675	S	S	*	*			trans	-3.6	116.9	172.9	-64.4	-46.8	0	0	0	118.2
569	V	48.2	Very low	51.5	Low	111 Å²	111	111.9 Å²	111.9	67%	0.673	66%	0.661	S	S	*	*			trans	-55.9	122.1	168.2	-179.7	0	0	0	0	109.3	V573	V569-V573 HydrophobicContact CG1-CG2 3.67Å
570	P	45.4	Very low	53.7	Low	94 Å²	94	107.5 Å²	107.5	61%	0.61	64%	0.64	S	S	*	*			trans	-61.5	140.4	-176.9	-19.5	29.5	0	0	0	111.3	S572 V573	P570-S572 PolarHBondContact O-N 3.41Å; P570-S572 PolarHBondContact O-OG 3.22Å; P570-V573 PolarHBondContact O-N 3.41Å
571	G	55.8	Low	55.8	Low	60 Å²	60	104.6 Å²	104.6	62%	0.619	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	6.3	-176.7	0	0	0	0	0	117.3	V573	G571-V573 VanDerWaalsContact C-N 3.32Å
572	S	55.4	Low	58.4	Low	72 Å²	72	100.4 Å²	100.4	50%	0.503	61%	0.607	S	S	.	*	H	α-helix	trans	-66	-31.9	172.3	59.8	0	0	0	0	112.7	P570 N574 A575 V576	P570-S572 PolarHBondContact O-N 3.41Å; P570-S572 PolarHBondContact O-OG 3.22Å; S572-N574 VanDerWaalsContact C-N 3.35Å; S572-N574 PolarHBondContact O-N 3.27Å; S572-A575 PolarHBondContact O-N 3.46Å; S572-V576 WeakPolarHBondContact O-CG2 3.18Å; S572-V576 PolarHBondContact O-N 3.3Å
573	V	58.8	Low	60.9	Low	82 Å²	82	96.5 Å²	96.5	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-67.9	-36.8	-178.2	-165.8	0	0	0	0	111.4	V569 P570 G571 V576 A577	V569-V573 HydrophobicContact CG1-CG2 3.67Å; P570-V573 PolarHBondContact O-N 3.41Å; G571-V573 VanDerWaalsContact C-N 3.32Å; V573-V576 PolarHBondContact O-N 3.31Å; V573-A577 WeakPolarHBondContact O-CB 3.35Å; V573-A577 PolarHBondContact O-N 2.91Å
574	N	62.8	Low	63.6	Low	123 Å²	123	94 Å²	94	66%	0.658	58%	0.579	S	S	*	*	H	α-helix	trans	-68.9	-35.9	175.7	-71.4	-11	0	0	0	112	S572 V578	S572-N574 VanDerWaalsContact C-N 3.35Å; S572-N574 PolarHBondContact O-N 3.27Å; N574-V578 WeakPolarHBondContact O-CG2 3.3Å; N574-V578 PolarHBondContact O-N 2.89Å
575	A	67.2	Low	66.4	Low	54 Å²	54	91.6 Å²	91.6	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-66.5	-44.2	175.7	0	0	0	0	0	111.7	S572 A577 V578 V579	S572-A575 PolarHBondContact O-N 3.46Å; A575-A577 VanDerWaalsContact C-N 3.34Å; A575-A577 PolarHBondContact O-N 3.3Å; A575-V578 PolarHBondContact O-N 2.91Å; A575-V579 WeakPolarHBondContact O-CB 3.49Å; A575-V579 WeakPolarHBondContact O-CG2 3.48Å; A575-V579 PolarHBondContact O-N 3.47Å
576	V	72	Confident	69	Low	89 Å²	89	92.3 Å²	92.3	54%	0.539	57%	0.567	S	S	.	*	H	α-helix	trans	-64.3	-39.6	178.3	176.5	0	0	0	0	111.4	S572 V573 V578 V580	S572-V576 WeakPolarHBondContact O-CG2 3.18Å; S572-V576 PolarHBondContact O-N 3.3Å; V573-V576 PolarHBondContact O-N 3.31Å; V576-V578 PolarHBondContact O-N 3.11Å; V576-V580 HydrophobicContact CG1-CG2 4.07Å; V576-V580 WeakPolarHBondContact O-CG2 3.46Å; V576-V580 PolarHBondContact O-N 2.76Å
577	A	76.9	Confident	71.5	Confident	66 Å²	66	89.2 Å²	89.2	55%	0.545	56%	0.558	S	S	.	*	H	α-helix	trans	-63.2	-23.9	178.1	0	0	0	0	0	113.6	V573 A575 P581	V573-A577 WeakPolarHBondContact O-CB 3.35Å; V573-A577 PolarHBondContact O-N 2.91Å; A575-A577 VanDerWaalsContact C-N 3.34Å; A575-A577 PolarHBondContact O-N 3.3Å; A577-P581 WeakPolarHBondContact O-CD 3.24Å; A577-P581 VanDerWaalsContact O-CG 3.23Å; A577-P581 WeakPolarHBondContact O-CG 3.47Å
578	V	79.9	Confident	74	Confident	92 Å²	92	88.4 Å²	88.4	56%	0.558	55%	0.553	S	S	*	*	H	α-helix	trans	-96.8	-39.3	179	178.9	0	0	0	0	112	N574 A575 V576 P581 C582	N574-V578 WeakPolarHBondContact O-CG2 3.3Å; N574-V578 PolarHBondContact O-N 2.89Å; A575-V578 PolarHBondContact O-N 2.91Å; V576-V578 PolarHBondContact O-N 3.11Å; V578-P581 WeakPolarHBondContact O-CD 3.44Å; V578-C582 PolarHBondContact O-N 3.44Å; V578-C582 PolarHBondContact O-SG 3.26Å
579	V	82.7	Confident	76.3	Confident	84 Å²	84	86.2 Å²	86.2	51%	0.509	54%	0.541	S	S	.	.	H	α-helix	trans	-70.3	-39.9	-175.1	173.9	0	0	0	0	112.2	A575 C582 T583	A575-V579 WeakPolarHBondContact O-CB 3.49Å; A575-V579 WeakPolarHBondContact O-CG2 3.48Å; A575-V579 PolarHBondContact O-N 3.47Å; V579-C582 PolarHBondContact O-N 2.72Å; V579-T583 HydrophobicContact CG1-CG2 4.24Å; V579-T583 WeakPolarHBondContact O-CG2 3.46Å; V579-T583 PolarHBondContact O-N 3.33Å; V579-T583 PolarHBondContact O-OG1 3.1Å
580	V	82.7	Confident	78.4	Confident	76 Å²	76	85.3 Å²	85.3	46%	0.461	54%	0.535	S	S	.	.	H	α-helix	trans	-65.3	-45.3	-177.5	176.3	0	0	0	0	112.4	V576 T583 L584	V576-V580 HydrophobicContact CG1-CG2 4.07Å; V576-V580 WeakPolarHBondContact O-CG2 3.46Å; V576-V580 PolarHBondContact O-N 2.76Å; V580-T583 PolarHBondContact O-OG1 3.15Å; V580-L584 HydrophobicContact CG1-CD1 4.31Å; V580-L584 WeakPolarHBondContact O-CG 3.46Å; V580-L584 PolarHBondContact O-N 2.62Å
581	P	84.7	Confident	80.6	Confident	73 Å²	73	85.8 Å²	85.8	47%	0.474	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-40	174.3	-23	33.4	0	0	0	113.8	A577 V578 T583 L584 S585	A577-P581 WeakPolarHBondContact O-CD 3.24Å; A577-P581 VanDerWaalsContact O-CG 3.23Å; A577-P581 WeakPolarHBondContact O-CG 3.47Å; V578-P581 WeakPolarHBondContact O-CD 3.44Å; P581-T583 PolarHBondContact O-N 3.05Å; P581-L584 PolarHBondContact O-N 3.48Å; P581-S585 PolarHBondContact O-N 2.86Å
582	C	88.4	Confident	82.2	Confident	71 Å²	71	88.1 Å²	88.1	48%	0.48	53%	0.53	S	S	.	.	H	α-helix	trans	-64.3	-41	-179.8	-71.9	0	0	0	0	112.3	V578 V579 S585 L586	V578-C582 PolarHBondContact O-N 3.44Å; V578-C582 PolarHBondContact O-SG 3.26Å; V579-C582 PolarHBondContact O-N 2.72Å; C582-S585 PolarHBondContact O-N 2.81Å; C582-L586 PolarHBondContact O-N 3.14Å; C582-L586 VanDerWaalsContact O-N 3.1Å
583	T	89.8	Confident	83.8	Confident	70 Å²	70	91.5 Å²	91.5	43%	0.429	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-43	177.2	48.6	0	0	0	0	112.4	V579 V580 P581 S585 L586 C587	V579-T583 HydrophobicContact CG1-CG2 4.24Å; V579-T583 WeakPolarHBondContact O-CG2 3.46Å; V579-T583 PolarHBondContact O-N 3.33Å; V579-T583 PolarHBondContact O-OG1 3.1Å; V580-T583 PolarHBondContact O-OG1 3.15Å; P581-T583 PolarHBondContact O-N 3.05Å; T583-S585 VanDerWaalsContact C-N 3.32Å; T583-S585 PolarHBondContact O-N 3.31Å; T583-L586 PolarHBondContact O-N 3.3Å; T583-C587 PolarHBondContact O-N 2.87Å; T583-C587 VanDerWaalsContact O-N 3.1Å; T583-C587 PolarHBondContact O-SG 3.3Å
584	L	90	Very high	85.1	Confident	109 Å²	109	90.7 Å²	90.7	57%	0.571	53%	0.528	S	S	*	.	H	α-helix	trans	-62.2	-39.3	175.7	-70.5	172.3	0	0	0	112.2	V580 P581 C587 L588	V580-L584 HydrophobicContact CG1-CD1 4.31Å; V580-L584 WeakPolarHBondContact O-CG 3.46Å; V580-L584 PolarHBondContact O-N 2.62Å; P581-L584 PolarHBondContact O-N 3.48Å; L584-C587 PolarHBondContact O-N 3.32Å; L584-L588 PolarHBondContact O-N 3.11Å
585	S	91.5	Very high	86.1	Confident	65 Å²	65	89 Å²	89	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-43.1	176.5	-171.8	0	0	0	0	112.3	P581 C582 T583 C587 L588 L589	P581-S585 PolarHBondContact O-N 2.86Å; C582-S585 PolarHBondContact O-N 2.81Å; T583-S585 VanDerWaalsContact C-N 3.32Å; T583-S585 PolarHBondContact O-N 3.31Å; S585-C587 PolarHBondContact O-N 3.39Å; S585-L588 PolarHBondContact O-N 3.24Å; S585-L589 WeakPolarHBondContact O-CG 3.4Å; S585-L589 PolarHBondContact O-N 3.37Å; S585-L589 VanDerWaalsContact O-N 3.14Å
586	L	92.8	Very high	86.9	Confident	111 Å²	111	92 Å²	92	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-62.2	-42.6	175.7	-85.2	163.6	0	0	0	112.6	C582 T583 L588 L589 V590	C582-L586 PolarHBondContact O-N 3.14Å; C582-L586 VanDerWaalsContact O-N 3.1Å; T583-L586 PolarHBondContact O-N 3.3Å; L586-L588 VanDerWaalsContact C-N 3.3Å; L586-L588 PolarHBondContact O-N 3.5Å; L586-L589 PolarHBondContact O-N 3.01Å; L586-V590 WeakPolarHBondContact O-CG2 3.49Å; L586-V590 PolarHBondContact O-N 3.32Å; L586-V590 VanDerWaalsContact O-N 3.11Å
587	C	92.3	Very high	87.2	Confident	88 Å²	88	91.4 Å²	91.4	60%	0.595	51%	0.512	S	S	*	.	H	α-helix	trans	-59.8	-40.5	176.9	-70.7	0	0	0	0	112.3	T583 L584 S585 L591	T583-C587 PolarHBondContact O-N 2.87Å; T583-C587 VanDerWaalsContact O-N 3.1Å; T583-C587 PolarHBondContact O-SG 3.3Å; L584-C587 PolarHBondContact O-N 3.32Å; S585-C587 PolarHBondContact O-N 3.39Å; C587-L591 PolarHBondContact O-N 3.18Å
588	L	92.7	Very high	87	Confident	116 Å²	116	96.4 Å²	96.4	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-65.9	-39.9	177.2	-71.9	170.2	0	0	0	112.2	L584 S585 L586 L591 L592	L584-L588 PolarHBondContact O-N 3.11Å; S585-L588 PolarHBondContact O-N 3.24Å; L586-L588 VanDerWaalsContact C-N 3.3Å; L586-L588 PolarHBondContact O-N 3.5Å; L588-L591 PolarHBondContact O-N 3.3Å; L588-L592 WeakPolarHBondContact O-CG 3.39Å; L588-L592 PolarHBondContact O-N 2.92Å
589	L	92.5	Very high	86.5	Confident	104 Å²	104	99.4 Å²	99.4	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-65	-41	178	-71.2	173.5	0	0	0	112.6	S585 L586 L591 L592 Y593	S585-L589 WeakPolarHBondContact O-CG 3.4Å; S585-L589 PolarHBondContact O-N 3.37Å; S585-L589 VanDerWaalsContact O-N 3.14Å; L586-L589 PolarHBondContact O-N 3.01Å; L589-L591 VanDerWaalsContact C-N 3.32Å; L589-L591 PolarHBondContact O-N 3.48Å; L589-L592 PolarHBondContact O-N 3.29Å; L589-Y593 WeakPolarHBondContact O-CB 3.43Å; L589-Y593 PolarHBondContact O-N 3.5Å
590	V	91.4	Very high	85.4	Confident	92 Å²	92	100.3 Å²	100.3	56%	0.558	53%	0.53	S	S	*	.	H	α-helix	trans	-62.9	-41.7	175.7	174.4	0	0	0	0	110.7	L586 L592 Y593 T594	L586-V590 WeakPolarHBondContact O-CG2 3.49Å; L586-V590 PolarHBondContact O-N 3.32Å; L586-V590 VanDerWaalsContact O-N 3.11Å; V590-L592 PolarHBondContact O-N 3.14Å; V590-Y593 PolarHBondContact O-N 2.91Å; V590-T594 WeakPolarHBondContact O-CG2 3.33Å; V590-T594 PolarHBondContact O-N 3.17Å; V590-T594 PolarHBondContact O-OG1 3.44Å
591	L	92.1	Very high	84	Confident	105 Å²	105	105.3 Å²	105.3	55%	0.55	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-42.5	178.6	-156.7	132.3	0	0	0	111.4	C587 L588 L589 T594 I595	C587-L591 PolarHBondContact O-N 3.18Å; L588-L591 PolarHBondContact O-N 3.3Å; L589-L591 VanDerWaalsContact C-N 3.32Å; L589-L591 PolarHBondContact O-N 3.48Å; L591-T594 PolarHBondContact O-N 2.79Å; L591-T594 PolarHBondContact O-OG1 2.97Å; L591-I595 HydrophobicContact CD2-CD1 3.87Å; L591-I595 WeakPolarHBondContact O-CG1 3.39Å; L591-I595 PolarHBondContact O-N 3.36Å
592	L	90.4	Very high	82.2	Confident	109 Å²	109	107.7 Å²	107.7	57%	0.571	56%	0.559	S	S	*	*	H	α-helix	trans	-64.2	-41.5	173.8	-69.7	173.1	0	0	0	112.7	L588 L589 V590 T594 I595 F596	L588-L592 WeakPolarHBondContact O-CG 3.39Å; L588-L592 PolarHBondContact O-N 2.92Å; L589-L592 PolarHBondContact O-N 3.29Å; V590-L592 PolarHBondContact O-N 3.14Å; L592-T594 PolarHBondContact O-N 2.98Å; L592-I595 PolarHBondContact O-N 3.31Å; L592-F596 PolarHBondContact O-N 3.07Å
593	Y	88.9	Confident	80	Confident	143 Å²	143	107 Å²	107	56%	0.561	56%	0.564	S	S	*	*	H	α-helix	trans	-61.8	-43	177.5	179.8	-99	0	0	0	112.2	L589 V590 F596 Q597	L589-Y593 WeakPolarHBondContact O-CB 3.43Å; L589-Y593 PolarHBondContact O-N 3.5Å; V590-Y593 PolarHBondContact O-N 2.91Å; Y593-F596 PolarHBondContact O-N 3.29Å; Y593-Q597 HydrophobicContact CD1-CG 4.26Å; Y593-Q597 HydrophobicContact CE1-CG 3.79Å; Y593-Q597 HydrophobicContact CE2-CG 4.42Å; Y593-Q597 PolarHBondContact O-N 3.42Å; Y593-Q597 PolarHBondContact OH-NE2 3.24Å
594	T	84.9	Confident	77.7	Confident	65 Å²	65	110.1 Å²	110.1	40%	0.399	59%	0.585	S	S	.	*	H	α-helix	trans	-63.6	-41.9	176.8	57.5	0	0	0	0	112.2	V590 L591 L592 F596 Q597 F598	V590-T594 WeakPolarHBondContact O-CG2 3.33Å; V590-T594 PolarHBondContact O-N 3.17Å; V590-T594 PolarHBondContact O-OG1 3.44Å; L591-T594 PolarHBondContact O-N 2.79Å; L591-T594 PolarHBondContact O-OG1 2.97Å; L592-T594 PolarHBondContact O-N 2.98Å; T594-F596 VanDerWaalsContact C-N 3.3Å; T594-F596 PolarHBondContact O-N 3.21Å; T594-Q597 PolarHBondContact O-N 3.34Å; T594-F598 WeakPolarHBondContact O-CD2 3.32Å; T594-F598 PolarHBondContact O-N 3.05Å
595	I	85.2	Confident	75.4	Confident	86 Å²	86	113.7 Å²	113.7	44%	0.441	60%	0.599	S	S	.	*	H	α-helix	trans	-60.2	-42.5	174.5	-67.2	167	0	0	0	110.7	L591 L592 F598 K599	L591-I595 HydrophobicContact CD2-CD1 3.87Å; L591-I595 WeakPolarHBondContact O-CG1 3.39Å; L591-I595 PolarHBondContact O-N 3.36Å; L592-I595 PolarHBondContact O-N 3.31Å; I595-F598 PolarHBondContact O-N 3.48Å; I595-K599 PolarHBondContact O-N 2.96Å; I595-K599 VanDerWaalsContact O-N 3.07Å
596	F	82.8	Confident	72.8	Confident	117 Å²	117	116.2 Å²	116.2	51%	0.513	61%	0.614	S	S	.	*	H	α-helix	trans	-64	-42.7	178.5	-173.6	-100.9	0	0	0	112.4	L592 Y593 T594 F598 K599 N600	L592-F596 PolarHBondContact O-N 3.07Å; Y593-F596 PolarHBondContact O-N 3.29Å; T594-F596 VanDerWaalsContact C-N 3.3Å; T594-F596 PolarHBondContact O-N 3.21Å; F596-F598 VanDerWaalsContact C-N 3.3Å; F596-F598 PolarHBondContact O-N 3.32Å; F596-K599 PolarHBondContact O-N 2.96Å; F596-K599 VanDerWaalsContact O-N 3.16Å; F596-N600 WeakPolarHBondContact CE1-ND2 3.17Å; F596-N600 VanDerWaalsContact CZ-ND2 3.32Å; F596-N600 WeakPolarHBondContact CZ-ND2 3.49Å; F596-N600 PolarHBondContact O-N 3.45Å
597	Q	78.2	Confident	70.1	Confident	77 Å²	77	117 Å²	117	36%	0.36	62%	0.623	S	S	.	*	H	α-helix	trans	-62.8	-35.7	175.3	-75.4	-74.4	26.6	0	0	112.7	Y593 T594 K601	Y593-Q597 HydrophobicContact CD1-CG 4.26Å; Y593-Q597 HydrophobicContact CE1-CG 3.79Å; Y593-Q597 HydrophobicContact CE2-CG 4.42Å; Y593-Q597 PolarHBondContact O-N 3.42Å; Y593-Q597 PolarHBondContact OH-NE2 3.24Å; T594-Q597 PolarHBondContact O-N 3.34Å; Q597-K601 PolarHBondContact O-N 3.4Å
598	F	74.1	Confident	67.4	Low	171 Å²	171	118.7 Å²	118.7	75%	0.75	63%	0.63	S	S	*	*	H	α-helix	trans	-65.6	-39.9	173.4	-94.5	-79.3	0	0	0	112	T594 I595 F596	T594-F598 WeakPolarHBondContact O-CD2 3.32Å; T594-F598 PolarHBondContact O-N 3.05Å; I595-F598 PolarHBondContact O-N 3.48Å; F596-F598 VanDerWaalsContact C-N 3.3Å; F596-F598 PolarHBondContact O-N 3.32Å
599	K	67.6	Low	64.4	Low	155 Å²	155	122.7 Å²	122.7	67%	0.674	64%	0.639	S	S	*	*	H	α-helix	trans	-71	-34.8	177.5	-69.5	-174.6	100.7	178.6	0	113.2	I595 F596 T602	I595-K599 PolarHBondContact O-N 2.96Å; I595-K599 VanDerWaalsContact O-N 3.07Å; F596-K599 PolarHBondContact O-N 2.96Å; F596-K599 VanDerWaalsContact O-N 3.16Å; K599-T602 PolarHBondContact O-OG1 3.16Å
600	N	61.3	Low	61.8	Low	104 Å²	104	128.1 Å²	128.1	56%	0.556	65%	0.654	S	S	*	*	H	α-helix	trans	-79.2	-14.9	-178.7	-89.6	7.8	0	0	0	114.6	F596 T602	F596-N600 WeakPolarHBondContact CE1-ND2 3.17Å; F596-N600 VanDerWaalsContact CZ-ND2 3.32Å; F596-N600 WeakPolarHBondContact CZ-ND2 3.49Å; F596-N600 PolarHBondContact O-N 3.45Å; N600-T602 VanDerWaalsContact C-N 3.27Å; N600-T602 PolarHBondContact O-N 2.91Å
601	K	52.2	Low	58.9	Low	181 Å²	181	132.8 Å²	132.8	79%	0.787	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-3.4	175.6	-82.7	-174.7	177.2	179.6	0	114.6	Q597 G603	Q597-K601 PolarHBondContact O-N 3.4Å; K601-G603 PolarHBondContact O-N 3.27Å
602	T	46.8	Very low	56.3	Low	122 Å²	122	139.3 Å²	139.3	75%	0.748	68%	0.684	S	S	*	*			trans	-90.7	69.4	170.1	19.7	0	0	0	0	110.9	K599 N600	K599-T602 PolarHBondContact O-OG1 3.16Å; N600-T602 VanDerWaalsContact C-N 3.27Å; N600-T602 PolarHBondContact O-N 2.91Å
603	G	43.6	Very low	54	Low	57 Å²	57	139.8 Å²	139.8	59%	0.588	69%	0.693	S	S	*	*			trans	-83.5	144.5	165.6	0	0	0	0	0	111	K601	K601-G603 PolarHBondContact O-N 3.27Å
604	P	41.5	Very low	51.2	Low	135 Å²	135	139.2 Å²	139.2	88%	0.877	70%	0.704	S	S	*	*			trans	-83.6	132.7	-157.6	32.7	-32.9	0	0	0	112.3
605	Q	39.9	Very low	48.9	Very low	184 Å²	184	143.1 Å²	143.1	86%	0.86	72%	0.718	S	S	*	*			trans	-107.2	139.8	165.4	-80.5	-164.2	-9.2	0	0	111.3
606	P	37.6	Very low	46.6	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	74%	0.743	S	S	*	*			trans	-78.9	146.5	-167.3	31.4	-33.7	0	0	0	113	T608	P606-T608 PolarHBondContact O-N 3.37Å
607	V	37.3	Very low	44.2	Very low	126 Å²	126	153.1 Å²	153.1	76%	0.764	76%	0.756	S	S	*	*			trans	-76.6	105.2	-179.1	-179.6	0	0	0	0	109.8	Y609	V607-Y609 HydrophobicContact CG1-CD2 4.15Å; V607-Y609 HydrophobicContact CG1-CE2 4.25Å
608	T	34.4	Very low	42.5	Very low	124 Å²	124	159.7 Å²	159.7	76%	0.761	80%	0.801	S	S	*	*			trans	-93.8	107.8	162.7	30.7	0	0	0	0	110.1	P606	P606-T608 PolarHBondContact O-N 3.37Å
609	Y	30.7	Very low	40.9	Very low	201 Å²	201	159.1 Å²	159.1	79%	0.788	80%	0.803	S	S	*	*			trans	-56.4	127.1	167.5	-89.3	-101.3	0	0	0	111.1	V607	V607-Y609 HydrophobicContact CG1-CD2 4.15Å; V607-Y609 HydrophobicContact CG1-CE2 4.25Å
610	Y	37	Very low	39.5	Very low	217 Å²	217	159.3 Å²	159.3	85%	0.851	81%	0.81	S	S	*	*			trans	-123.3	98.6	157.6	-94.3	-85.6	0	0	0	109.2
611	K	30.7	Very low	38.2	Very low	191 Å²	191	162.4 Å²	162.4	83%	0.83	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-60.8	133.6	162.9	-76.6	-179.8	173.3	179.9	0	108.8
612	R	36.5	Very low	37.4	Very low	242 Å²	242	161.3 Å²	161.3	91%	0.913	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-86.6	150.7	159.6	-105.1	-174.9	179.3	176.9	-0.1	110.2
613	P	43.5	Very low	36.8	Very low	118 Å²	118	163.8 Å²	163.8	77%	0.766	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-92.8	141.4	-158.7	35.4	-31.6	0	0	0	112.4
614	V	30.2	Very low	36.4	Very low	131 Å²	131	170.9 Å²	170.9	79%	0.794	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-100.3	117.5	152.4	175	0	0	0	0	104.8
615	Q	36.8	Very low	36	Very low	148 Å²	148	173.4 Å²	173.4	69%	0.692	85%	0.845	S	S	*	*			trans	168.2	92.7	145.2	-95.1	163.2	-105.8	0	0	109.6	W617	Q615-W617 VanDerWaalsContact CD-NE1 3.31Å; Q615-W617 VanDerWaalsContact CG-CD1 3.49Å; Q615-W617 VanDerWaalsContact CG-NE1 3.32Å
616	E	36.9	Very low	35.7	Very low	204 Å²	204	172.6 Å²	172.6	95%	0.953	84%	0.844	S	S	*	*			trans	-96.9	112.8	136.2	-82.6	-178.6	159.3	0	0	106
617	W	31.6	Very low	35.6	Very low	208 Å²	208	177.1 Å²	177.1	79%	0.788	85%	0.85	S	S	*	*			trans	-86.8	118	160	-76.4	70.9	0	0	0	106.6	Q615	Q615-W617 VanDerWaalsContact CD-NE1 3.31Å; Q615-W617 VanDerWaalsContact CG-CD1 3.49Å; Q615-W617 VanDerWaalsContact CG-NE1 3.32Å
618	V	41.6	Very low	35.4	Very low	215 Å²	215	181.7 Å²	181.7	100%	1.303	86%	0.858	S	S	*	*				-160.5	0	115	173.1	0	0	0	0	106.9

Retrieved 618 of 618 residues in 1087 ms (Link to these results)

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