A0A077YXW6_TRITR Loading...

Ldl recept a domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXW6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 743 aa.

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(Predicted Aligned Error values between residue pairs)

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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	32.8	Very low	35.1	Very low	239 Å²	239	157.5 Å²	157.5	100%	1.177	83%	0.828	S	S	*	*				0	157.2	0	-92.8	-171.9	169.2	0	0	108
2	V	36.8	Very low	35.1	Very low	145 Å²	145	155.9 Å²	155.9	88%	0.879	83%	0.83	S	S	*	*			trans	72.2	150.5	-155.1	-168.2	0	0	0	0	110.9
3	L	30.4	Very low	35	Very low	146 Å²	146	157.6 Å²	157.6	76%	0.764	83%	0.83	S	S	*	*			trans	-147.9	149.2	-150.5	-75	152.3	0	0	0	111.7
4	I	32.7	Very low	34.9	Very low	144 Å²	144	155.8 Å²	155.8	74%	0.738	83%	0.829	S	S	*	*			trans	40.6	121.7	135.6	-54	169.5	0	0	0	118.7
5	S	36.4	Very low	35.1	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	83%	0.825	S	S	*	*				-173	120.4	119.3	56.3	0	0	0	0	112.9
6	E	35.6	Very low	35	Very low	183 Å²	183	155.1 Å²	155.1	86%	0.855	82%	0.823	S	S	*	*			trans	-78.6	164	160	-64.1	145.8	132.6	0	0	110.4
7	I	38.2	Very low	35	Very low	163 Å²	163	154.3 Å²	154.3	84%	0.836	83%	0.825	S	S	*	*			trans	-141.7	125.8	168.4	-54	-179.9	0	0	0	108.3
8	E	35.7	Very low	35.1	Very low	187 Å²	187	151.4 Å²	151.4	87%	0.874	82%	0.816	S	S	*	*			trans	-87	-175.9	179.6	-67.4	175.5	107.2	0	0	113.3
9	E	39.8	Very low	35.3	Very low	156 Å²	156	150.4 Å²	150.4	73%	0.729	81%	0.81	S	S	*	*			trans	-61.6	-179.3	-172	-48.5	-177.4	149.6	0	0	116.3
10	P	34.6	Very low	35.4	Very low	125 Å²	125	148.6 Å²	148.6	81%	0.812	81%	0.806	S	S	*	*				-143	148.5	93.1	37.5	-22.8	0	0	0	117.4
11	I	33.5	Very low	35.3	Very low	139 Å²	139	147.7 Å²	147.7	71%	0.713	80%	0.797	S	S	*	*			trans	-58.1	163.7	171.2	-17.3	175.7	0	0	0	114.3
12	T	35.1	Very low	35.5	Very low	139 Å²	139	144.6 Å²	144.6	85%	0.853	78%	0.784	S	S	*	*			trans	-148.4	132.3	158.1	-39.2	0	0	0	0	111.8
13	E	33	Very low	35.2	Very low	178 Å²	178	143 Å²	143	83%	0.832	77%	0.771	S	S	*	*			trans	-90.9	158.2	-176.2	-52.9	176.2	115.6	0	0	113.7
14	T	34.6	Very low	35.3	Very low	132 Å²	132	141.2 Å²	141.2	81%	0.81	77%	0.766	S	S	*	*			trans	-153.8	96	149.8	-63.3	0	0	0	0	114.2
15	I	37.6	Very low	35.3	Very low	149 Å²	149	139.3 Å²	139.3	76%	0.764	77%	0.765	S	S	*	*			trans	49	94	134.5	-46.5	177.6	0	0	0	120.9
16	L	32.7	Very low	34.9	Very low	151 Å²	151	139.4 Å²	139.4	79%	0.791	76%	0.762	S	S	*	*				23.8	133.2	124.5	-68.4	165.2	0	0	0	123.1
17	T	35.5	Very low	34.7	Very low	142 Å²	142	138.1 Å²	138.1	87%	0.871	76%	0.759	S	S	*	*				-145.9	142.2	129.8	31.4	0	0	0	0	110.7
18	P	37.1	Very low	34.5	Very low	102 Å²	102	135.3 Å²	135.3	66%	0.662	75%	0.753	S	S	*	*			trans	-136.3	170.2	-165.2	44.7	-29.2	0	0	0	119
19	L	38.2	Very low	34.4	Very low	132 Å²	132	131.2 Å²	131.2	69%	0.691	74%	0.743	S	S	*	*			trans	73.2	159.7	155.8	-71.4	161.3	0	0	0	119.5	E21	L19-E21 HydrophobicContact CD2-CG 3.83Å
20	P	38.2	Very low	34	Very low	114 Å²	114	129.6 Å²	129.6	74%	0.74	74%	0.738	S	S	*	*			cis	-127.5	140.9	3	30.6	-10	0	0	0	118.5
21	E	33.6	Very low	33.8	Very low	131 Å²	131	128.3 Å²	128.3	61%	0.612	73%	0.733	S	S	*	*			trans	28.5	138.8	130.1	-60.8	175.3	-164.3	0	0	123.7	L19 N23	L19-E21 HydrophobicContact CD2-CG 3.83Å; E21-N23 PolarHBondContact OE2-ND2 3.2Å
22	L	35.8	Very low	33.9	Very low	174 Å²	174	123.4 Å²	123.4	91%	0.911	71%	0.713	S	S	*	*				-146.5	68	127.2	-144.9	131.5	0	0	0	114.9
23	N	31.8	Very low	33.9	Very low	110 Å²	110	120.5 Å²	120.5	59%	0.588	69%	0.689	S	S	*	*			trans	35.6	121.9	142	-81	-32.1	0	0	0	123.9	E21	E21-N23 PolarHBondContact OE2-ND2 3.2Å
24	V	31.8	Very low	34.1	Very low	110 Å²	110	114.6 Å²	114.6	67%	0.667	67%	0.665	S	S	*	*			trans	42.7	128.8	131.5	-138.1	0	0	0	0	118	T26	V24-T26 HydrophobicContact CG1-CG2 4.06Å
25	S	32.4	Very low	34.1	Very low	104 Å²	104	112.5 Å²	112.5	73%	0.727	66%	0.662	S	S	*	*				175.6	155.6	70.3	-51.4	0	0	0	0	110.4
26	T	29.1	Very low	33.9	Very low	107 Å²	107	110.8 Å²	110.8	66%	0.656	66%	0.661	S	S	*	*			cis	-171.4	147.9	-15.1	24.2	0	0	0	0	109	V24	V24-T26 HydrophobicContact CG1-CG2 4.06Å
27	I	30.7	Very low	33.7	Very low	156 Å²	156	110.5 Å²	110.5	80%	0.8	66%	0.664	S	S	*	*			trans	63.7	90.5	146.3	-58.4	163.2	0	0	0	117.2
28	S	32.7	Very low	33.4	Very low	103 Å²	103	108.2 Å²	108.2	72%	0.72	66%	0.66	S	S	*	*			trans	-68.9	-178.9	136.6	-45.5	0	0	0	0	109.5
29	P	35.1	Very low	33.1	Very low	102 Å²	102	107.6 Å²	107.6	66%	0.662	66%	0.656	S	S	*	*			cis	-154.4	-174.9	20.1	45.5	-23	0	0	0	118.9
30	I	31.7	Very low	32.5	Very low	121 Å²	121	107.3 Å²	107.3	62%	0.621	66%	0.66	S	S	*	*			trans	57	111.3	134.7	-76.2	165	0	0	0	118.6
31	S	30.6	Very low	32.1	Very low	99 Å²	99	107.5 Å²	107.5	69%	0.692	65%	0.649	S	S	*	*				81.4	163	86	-57.4	0	0	0	0	113.7
32	A	34	Very low	32	Very low	36 Å²	36	108.7 Å²	108.7	30%	0.298	66%	0.66	S	S	.	*			cis	-176.6	167.8	-25.1	0	0	0	0	0	108.4
33	E	36.4	Very low	31.8	Very low	77 Å²	77	106.8 Å²	106.8	36%	0.36	64%	0.641	S	S	.	*				129.5	126	127.2	-73.1	163.1	21	0	0	112.1	E280 C281 L282 K289	E33-E280 VanDerWaalsContact N-CA 3.34Å; E33-E280 PolarHBondContact N-OE1 3.1Å; E33-E280 VanDerWaalsContact N-OE1 3.17Å; E33-C281 WeakPolarHBondContact CG-O 3.46Å; E33-L282 HydrophobicContact CB-CD2 4.45Å; E33-L282 HydrophobicContact CB-CG 4.19Å; E33-L282 HydrophobicContact CG-CD2 4Å; E33-L282 HydrophobicContact CG-CG 3.93Å; E33-L282 VanDerWaalsContact OE1-CD2 3.27Å; E33-L282 WeakPolarHBondContact OE1-CD2 3.44Å; E33-K289 IonicContact OE2-NZ 2.74Å; E33-K289 PolarHBondContact OE2-NZ 3.46Å
34	T	36	Very low	32	Very low	54 Å²	54	105.6 Å²	105.6	33%	0.331	64%	0.641	S	S	.	*			cis	-179.3	176.6	5	6.7	0	0	0	0	116.8	E280 L282	T34-E280 WeakPolarHBondContact CG2-O 3.47Å; T34-L282 HydrophobicContact CG2-CB 3.5Å; T34-L282 HydrophobicContact CG2-CD1 3.86Å; T34-L282 HydrophobicContact CG2-CG 3.48Å; T34-L282 VanDerWaalsContact CG2-CG 3.48Å; T34-L282 WeakPolarHBondContact OG1-CD1 3.43Å; T34-L282 WeakPolarHBondContact OG1-CG 3.25Å
35	A	36.1	Very low	32.5	Very low	89 Å²	89	100.6 Å²	100.6	74%	0.736	61%	0.611	S	S	*	*				174	127.7	117.1	0	0	0	0	0	117.7
36	P	33	Very low	32.7	Very low	113 Å²	113	101.7 Å²	101.7	73%	0.734	60%	0.6	S	S	*	*			trans	-120.8	-175.1	171.3	41.5	-30.8	0	0	0	116.1
37	V	28.8	Very low	33.8	Very low	144 Å²	144	101.5 Å²	101.5	87%	0.873	60%	0.601	S	S	*	*			trans	-113.9	162.6	-177.1	174.7	0	0	0	0	111.8
38	A	28.3	Very low	34.8	Very low	95 Å²	95	97.1 Å²	97.1	79%	0.785	58%	0.579	S	S	*	*			trans	-63.9	137.1	-167.1	0	0	0	0	0	116.6
39	P	30.2	Very low	36	Very low	88 Å²	88	92.3 Å²	92.3	57%	0.571	55%	0.545	S	S	*	.			trans	-108.3	168.6	175.4	39.9	-33.4	0	0	0	114.9	H286	P39-H286 VanDerWaalsContact CG-CE1 3.44Å; P39-H286 WeakPolarHBondContact CG-CE1 3.16Å
40	T	26.9	Very low	37.1	Very low	126 Å²	126	91.6 Å²	91.6	77%	0.773	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-89.1	153.9	-179	45.2	0	0	0	0	113.7	N42	T40-N42 PolarHBondContact O-N 2.78Å
41	K	29	Very low	38.6	Very low	119 Å²	119	87.7 Å²	87.7	52%	0.517	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-65.3	121.9	169.5	-69.1	-174	178.3	-174.3	0	110.7	Y43	K41-Y43 HydrophobicContact CB-CD2 4.32Å; K41-Y43 HydrophobicContact CB-CE2 4.06Å; K41-Y43 HydrophobicContact CD-CE2 3.83Å
42	N	31.4	Very low	40.3	Very low	155 Å²	155	83 Å²	83	83%	0.829	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-99.6	119.8	161.7	-99.6	3.6	0	0	0	108.5	T40	T40-N42 PolarHBondContact O-N 2.78Å
43	Y	31.4	Very low	41.6	Very low	135 Å²	135	86.2 Å²	86.2	53%	0.529	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-89	150.4	168.9	-76.2	-105.6	0	0	0	110.3	K41 P71 E72	K41-Y43 HydrophobicContact CB-CD2 4.32Å; K41-Y43 HydrophobicContact CB-CE2 4.06Å; K41-Y43 HydrophobicContact CD-CE2 3.83Å; Y43-P71 VanDerWaalsContact O-CG 3.29Å; Y43-P71 WeakPolarHBondContact O-CG 3.38Å; Y43-E72 WeakPolarHBondContact CB-OE1 3.35Å; Y43-E72 VanDerWaalsContact CD2-OE1 3.32Å; Y43-E72 WeakPolarHBondContact CD2-OE1 3.44Å
44	S	36.8	Very low	42.7	Very low	84 Å²	84	86.2 Å²	86.2	59%	0.587	52%	0.519	S	S	*	.			trans	-116.1	109.8	-170	172.7	0	0	0	0	110.5	Y46	S44-Y46 PolarHBondContact O-N 2.56Å; S44-Y46 WeakPolarHBondContact OG-CD2 3.38Å
45	V	42.2	Very low	43.9	Very low	5 Å²	5	86.4 Å²	86.4	3%	0.03	52%	0.516	C	S	.	.			trans	-82.2	18.3	178.8	-157.3	0	0	0	0	112.9	P47 L48 W57 P71 T75 L78	V45-P47 VanDerWaalsContact C-CD 3.42Å; V45-L48 HydrophobicContact CG1-CD1 4.27Å; V45-W57 HydrophobicContact CB-CH2 4.44Å; V45-W57 HydrophobicContact CB-CZ2 3.81Å; V45-W57 HydrophobicContact CG1-CH2 4.38Å; V45-W57 HydrophobicContact CG1-CZ2 3.69Å; V45-W57 HydrophobicContact CG2-CZ2 4.47Å; V45-P71 HydrophobicContact CG2-CB 3.47Å; V45-P71 VanDerWaalsContact CG2-CB 3.47Å; V45-P71 WeakPolarHBondContact CG2-O 3.34Å; V45-T75 VanDerWaalsContact CG1-OG1 3.26Å; V45-T75 WeakPolarHBondContact CG1-OG1 3.34Å; V45-L78 HydrophobicContact CG1-CD1 3.51Å
46	Y	37.4	Very low	44.7	Very low	128 Å²	128	82.8 Å²	82.8	50%	0.502	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-22.8	-153.9	-83	-116.3	0	0	0	117.8	S44 T58	S44-Y46 PolarHBondContact O-N 2.56Å; S44-Y46 WeakPolarHBondContact OG-CD2 3.38Å; Y46-T58 HydrophobicContact CD1-CG2 4.26Å; Y46-T58 HydrophobicContact CE1-CG2 3.74Å; Y46-T58 PolarHBondContact OH-O 3.37Å; Y46-T58 VanDerWaalsContact OH-O 3.05Å
47	P	50.6	Low	45.9	Very low	102 Å²	102	78 Å²	78	66%	0.662	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-16.5	-178.5	32.5	-31.8	0	0	0	115	V45 L49	V45-P47 VanDerWaalsContact C-CD 3.42Å; P47-L49 PolarHBondContact O-N 2.75Å
48	L	51.6	Low	47.1	Very low	65 Å²	65	74.3 Å²	74.3	34%	0.34	43%	0.432	S	S	.	.	S	Bend	trans	-82.7	-6	-158.3	-72.4	168.5	0	0	0	116.4	V45 T75 L78 Q82	V45-L48 HydrophobicContact CG1-CD1 4.27Å; L48-T75 HydrophobicContact CD1-CG2 3.64Å; L48-L78 HydrophobicContact CB-CB 4.42Å; L48-L78 HydrophobicContact CB-CD1 3.36Å; L48-L78 HydrophobicContact CB-CG 4.5Å; L48-L78 HydrophobicContact CD1-CD1 3.94Å; L48-L78 HydrophobicContact CG-CD1 4.3Å; L48-Q82 PolarHBondContact O-NE2 3.24Å
49	L	58.4	Low	48.6	Very low	1 Å²	1	72.8 Å²	72.8	1%	0.005	41%	0.411	C	S	.	.			trans	-131.9	78.6	174	-61.3	171.8	0	0	0	111	P47 F51 C52 W57 L78 F81 Q82 L101	P47-L49 PolarHBondContact O-N 2.75Å; L49-F51 HydrophobicContact CB-CZ 4.46Å; L49-F51 HydrophobicContact CD2-CE1 3.79Å; L49-F51 HydrophobicContact CD2-CE2 4.4Å; L49-F51 HydrophobicContact CD2-CZ 3.57Å; L49-F51 HydrophobicContact CG-CZ 4.49Å; L49-F51 PolarHBondContact O-N 3.07Å; L49-F51 VanDerWaalsContact O-N 3.08Å; L49-C52 HydrophobicContact CB-CB 3.94Å; L49-C52 HydrophobicContact CD1-CB 4.49Å; L49-C52 PolarHBondContact O-N 3.38Å; L49-W57 HydrophobicContact CD1-CD2 4.26Å; L49-W57 HydrophobicContact CD1-CZ2 4.09Å; L49-L78 HydrophobicContact CD1-CD1 4.4Å; L49-L78 HydrophobicContact CD1-CD2 3.83Å; L49-L78 HydrophobicContact CD2-CB 4.18Å; L49-L78 HydrophobicContact CD2-CD2 4.14Å; L49-L78 HydrophobicContact CD2-CG 4.49Å; L49-L78 HydrophobicContact CG-CD1 4.11Å; L49-L78 HydrophobicContact CG-CD2 4.13Å; L49-L78 HydrophobicContact CG-CG 4.49Å; L49-F81 HydrophobicContact CD2-CB 3.83Å; L49-Q82 HydrophobicContact CD2-CG 4.46Å; L49-L101 HydrophobicContact CD1-CD1 3.19Å
50	P	58.2	Low	50.1	Low	88 Å²	88	69.9 Å²	69.9	57%	0.571	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-54.7	-31.6	-179.3	-27.9	36	0	0	0	113.7	C52 N53	P50-C52 VanDerWaalsContact C-N 3.35Å; P50-N53 PolarHBondContact O-ND2 3.32Å
51	F	63.6	Low	52	Low	39 Å²	39	65.4 Å²	65.4	17%	0.171	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-78.5	-7.9	178.6	64.4	-100	0	0	0	114.9	L49 H55 F81 Q82 T85 Q94	L49-F51 HydrophobicContact CB-CZ 4.46Å; L49-F51 HydrophobicContact CD2-CE1 3.79Å; L49-F51 HydrophobicContact CD2-CE2 4.4Å; L49-F51 HydrophobicContact CD2-CZ 3.57Å; L49-F51 HydrophobicContact CG-CZ 4.49Å; L49-F51 PolarHBondContact O-N 3.07Å; L49-F51 VanDerWaalsContact O-N 3.08Å; F51-H55 PolarHBondContact O-CD2 3.32Å; F51-F81 HydrophobicContact CZ-CB 4.24Å; F51-F81 WeakPolarHBondContact CZ-O 3.32Å; F51-Q82 HydrophobicContact CE1-CG 4.38Å; F51-T85 HydrophobicContact CD2-CG2 4.04Å; F51-T85 HydrophobicContact CE1-CG2 4.12Å; F51-T85 WeakPolarHBondContact CE1-OG1 3.24Å; F51-T85 HydrophobicContact CE2-CG2 3.57Å; F51-T85 HydrophobicContact CZ-CG2 3.58Å; F51-T85 WeakPolarHBondContact CZ-OG1 3.45Å; F51-Q94 HydrophobicContact CB-CG 4.5Å; F51-Q94 HydrophobicContact CD2-CB 4.21Å; F51-Q94 HydrophobicContact CD2-CG 4.25Å
52	C	65.2	Low	53.8	Low	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-96.1	-0.2	175.4	-71	0	0	0	0	114.1	L49 P50 G54 H55 W57 C98	L49-C52 HydrophobicContact CB-CB 3.94Å; L49-C52 HydrophobicContact CD1-CB 4.49Å; L49-C52 PolarHBondContact O-N 3.38Å; P50-C52 VanDerWaalsContact C-N 3.35Å; C52-G54 PolarHBondContact O-N 2.97Å; C52-H55 PolarHBondContact O-N 2.89Å; C52-W57 HydrophobicContact CB-CB 3.6Å; C52-W57 HydrophobicContact CB-CG 3.94Å; C52-C98 WeakPolarHBondContact CA-SG 2.94Å; C52-C98 HydrophobicContact CB-CB 3.91Å; C52-C98 WeakPolarHBondContact CB-SG 3.17Å; C52-C98 VanDerWaalsContact SG-CA 3.5Å; C52-C98 WeakPolarHBondContact SG-CB 3.02Å; C52-C98 CovalentContact SG-SG 2.04Å; C52-C98 PolarHBondContact SG-SG 2.82Å
53	N	62.1	Low	55.4	Low	103 Å²	103	59.3 Å²	59.3	55%	0.551	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	125.8	172.1	-73.8	-48.2	0	0	0	110.5	P50 H55	P50-N53 PolarHBondContact O-ND2 3.32Å; N53-H55 VanDerWaalsContact C-N 3.31Å; N53-H55 PolarHBondContact O-N 2.74Å
54	G	59.9	Low	57.3	Low	78 Å²	78	53.3 Å²	53.3	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-12.1	-174.3	0	0	0	0	0	115.5	C52	C52-G54 PolarHBondContact O-N 2.97Å
55	H	60.8	Low	58.8	Low	57 Å²	57	51.1 Å²	51.1	26%	0.264	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	15.2	178.9	-62	-54.4	0	0	0	114	F51 C52 N53 W57 Y95 C98 Q102	F51-H55 PolarHBondContact O-CD2 3.32Å; C52-H55 PolarHBondContact O-N 2.89Å; N53-H55 VanDerWaalsContact C-N 3.31Å; N53-H55 PolarHBondContact O-N 2.74Å; H55-W57 PolarHBondContact O-N 3.04Å; H55-Y95 AromaticContact CE1-CD1 3.97Å; H55-Y95 AromaticContact CE1-CE1 3.27Å; H55-Y95 WeakPolarHBondContact CE1-CE1 3.45Å; H55-Y95 AromaticContact CE1-CZ 3.41Å; H55-Y95 VanDerWaalsContact CE1-CZ 3.41Å; H55-Y95 PolarHBondContact CE1-OH 3.05Å; H55-Y95 AromaticContact ND1-CD1 3.8Å; H55-Y95 AromaticContact ND1-CE1 3.42Å; H55-Y95 WeakPolarHBondContact ND1-CE1 3.34Å; H55-C98 HydrophobicContact CB-CB 3.95Å; H55-Q102 PolarHBondContact O-NE2 3.03Å
56	G	53.9	Low	60.2	Low	13 Å²	13	50.9 Å²	50.9	13%	0.134	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	27.3	176.2	0	0	0	0	0	114.3	T58 D59 Q102	G56-T58 VanDerWaalsContact C-N 3.26Å; G56-D59 WeakPolarHBondContact O-CB 3.04Å; G56-D59 PolarHBondContact O-N 3.05Å; G56-Q102 VanDerWaalsContact C-NE2 3.26Å; G56-Q102 WeakPolarHBondContact O-CG 3.14Å; G56-Q102 PolarHBondContact O-NE2 2.73Å
57	W	57.1	Low	61.8	Low	14 Å²	14	46.4 Å²	46.4	5%	0.053	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-66.9	-30.8	167.1	165.9	-127.3	0	0	0	112.1	V45 L49 C52 H55 D59 T60 A74 L78 L101	V45-W57 HydrophobicContact CB-CH2 4.44Å; V45-W57 HydrophobicContact CB-CZ2 3.81Å; V45-W57 HydrophobicContact CG1-CH2 4.38Å; V45-W57 HydrophobicContact CG1-CZ2 3.69Å; V45-W57 HydrophobicContact CG2-CZ2 4.47Å; L49-W57 HydrophobicContact CD1-CD2 4.26Å; L49-W57 HydrophobicContact CD1-CZ2 4.09Å; C52-W57 HydrophobicContact CB-CB 3.6Å; C52-W57 HydrophobicContact CB-CG 3.94Å; H55-W57 PolarHBondContact O-N 3.04Å; W57-D59 PolarHBondContact O-N 3.08Å; W57-T60 HydrophobicContact CE3-CG2 4.47Å; W57-T60 HydrophobicContact CZ3-CG2 3.92Å; W57-T60 WeakPolarHBondContact CZ3-OG1 3.32Å; W57-T60 PolarHBondContact O-N 3.3Å; W57-T60 PolarHBondContact O-OG1 2.87Å; W57-A74 HydrophobicContact CH2-CB 4.16Å; W57-L78 HydrophobicContact CZ2-CD1 4.38Å; W57-L101 HydrophobicContact CE3-CB 3.63Å; W57-L101 HydrophobicContact CE3-CD1 4.39Å; W57-L101 HydrophobicContact CH2-CB 4.35Å; W57-L101 HydrophobicContact CH2-CD1 4.4Å; W57-L101 HydrophobicContact CH2-CD2 4.07Å; W57-L101 HydrophobicContact CZ3-CB 3.52Å; W57-L101 HydrophobicContact CZ3-CD1 4.27Å; W57-L101 HydrophobicContact CZ3-CD2 4Å; W57-L101 HydrophobicContact CZ3-CG 4.16Å
58	T	54.4	Low	62.9	Low	65 Å²	65	42.2 Å²	42.2	40%	0.399	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59.8	3.2	169.3	60.7	0	0	0	0	114.8	Y46 G56	Y46-T58 HydrophobicContact CD1-CG2 4.26Å; Y46-T58 HydrophobicContact CE1-CG2 3.74Å; Y46-T58 PolarHBondContact OH-O 3.37Å; Y46-T58 VanDerWaalsContact OH-O 3.05Å; G56-T58 VanDerWaalsContact C-N 3.26Å
59	D	59	Low	64	Low	64 Å²	64	46.2 Å²	46.2	34%	0.342	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-136.3	21.2	-157	-116.8	4.9	0	0	0	109.8	G56 W57 R111	G56-D59 WeakPolarHBondContact O-CB 3.04Å; G56-D59 PolarHBondContact O-N 3.05Å; W57-D59 PolarHBondContact O-N 3.08Å; D59-R111 PolarHBondContact O-NH1 3.24Å; D59-R111 IonicContact OD1-CZ 2.7Å; D59-R111 IonicContact OD1-NE 3.64Å; D59-R111 IonicContact OD1-NH2 3.24Å; D59-R111 PolarHBondContact OD1-NH2 2.82Å; D59-R111 IonicContact OD2-CZ 3.38Å; D59-R111 IonicContact OD2-NE 2.75Å; D59-R111 PolarHBondContact OD2-NE 3.36Å; D59-R111 IonicContact OD2-NH2 3.75Å; D59-R111 PolarHBondContact OD2-NH2 3.01Å
60	T	63.1	Low	64.5	Low	26 Å²	26	48.1 Å²	48.1	16%	0.16	28%	0.284	C	S	.	.			trans	-82.8	140	-174.3	-66.8	0	0	0	0	112.2	W57 Y62 L101 P103	W57-T60 HydrophobicContact CE3-CG2 4.47Å; W57-T60 HydrophobicContact CZ3-CG2 3.92Å; W57-T60 WeakPolarHBondContact CZ3-OG1 3.32Å; W57-T60 PolarHBondContact O-N 3.3Å; W57-T60 PolarHBondContact O-OG1 2.87Å; T60-Y62 HydrophobicContact CG2-CD1 4.35Å; T60-Y62 HydrophobicContact CG2-CE1 3.83Å; T60-Y62 HydrophobicContact CG2-CE2 4.05Å; T60-L101 WeakPolarHBondContact CG2-O 3.29Å; T60-P103 HydrophobicContact CG2-CG 4.22Å
61	C	65.3	Low	64.9	Low	33 Å²	33	44.8 Å²	44.8	22%	0.223	26%	0.262	C	S	.	.			trans	-133.1	89.1	-173.3	-57.4	0	0	0	0	111.8	P103 C105	C61-P103 VanDerWaalsContact C-CG 3.46Å; C61-P103 HydrophobicContact CB-CG 4.04Å; C61-P103 VanDerWaalsContact N-CD 3.32Å; C61-P103 WeakPolarHBondContact O-CG 3.17Å; C61-C105 HydrophobicContact CB-CB 3.71Å
62	Y	66.6	Low	64.9	Low	63 Å²	63	46.6 Å²	46.6	25%	0.247	27%	0.271	C	S	.	.	S	Bend	trans	-59	141.5	-177.6	-50.5	-83	0	0	0	112.5	T60 N64 Y68 K69 T70 P71 A74	T60-Y62 HydrophobicContact CG2-CD1 4.35Å; T60-Y62 HydrophobicContact CG2-CE1 3.83Å; T60-Y62 HydrophobicContact CG2-CE2 4.05Å; Y62-N64 HydrophobicContact CD1-CB 4.46Å; Y62-Y68 WeakPolarHBondContact CD1-O 3.23Å; Y62-K69 VanDerWaalsContact CB-O 3.24Å; Y62-K69 WeakPolarHBondContact CB-O 3.17Å; Y62-T70 VanDerWaalsContact CE1-O 3.32Å; Y62-T70 WeakPolarHBondContact CE1-O 3.5Å; Y62-P71 HydrophobicContact CD2-CG 4.46Å; Y62-P71 HydrophobicContact CE2-CG 3.81Å; Y62-A74 HydrophobicContact CE1-CB 3.97Å
63	P	66.3	Low	65	Low	83 Å²	83	50.1 Å²	50.1	54%	0.539	29%	0.288	S	S	.	.	S	Bend	cis	-75.2	138.4	5.6	31.5	-35.5	0	0	0	113.2	Y68 K69	P63-Y68 CarbonylContact C-O 3.58Å; P63-Y68 WeakPolarHBondContact CA-O 3.06Å; P63-K69 HydrophobicContact CB-CG 4.45Å
64	N	70	Confident	65.3	Low	9 Å²	9	45.2 Å²	45.2	5%	0.048	26%	0.262	C	S	.	.			trans	-82.8	-177.3	-170.2	89	-17.9	0	0	0	114.8	Y62 L66 G67 Y68 L101 P103	Y62-N64 HydrophobicContact CD1-CB 4.46Å; N64-L66 PolarHBondContact O-N 2.76Å; N64-L66 VanDerWaalsContact OD1-C 3.23Å; N64-L66 VanDerWaalsContact OD1-CA 3.28Å; N64-L66 WeakPolarHBondContact OD1-CA 3.07Å; N64-L66 VanDerWaalsContact OD1-CB 3.3Å; N64-L66 WeakPolarHBondContact OD1-CB 3.07Å; N64-L66 PolarHBondContact OD1-N 3.06Å; N64-G67 VanDerWaalsContact O-CA 3.3Å; N64-G67 WeakPolarHBondContact O-CA 3.35Å; N64-G67 PolarHBondContact O-N 2.73Å; N64-G67 PolarHBondContact OD1-N 2.84Å; N64-Y68 PolarHBondContact N-O 2.77Å; N64-Y68 WeakPolarHBondContact ND2-CD2 3.05Å; N64-Y68 WeakPolarHBondContact OD1-CB 3.33Å; N64-Y68 WeakPolarHBondContact OD1-CD2 3.38Å; N64-Y68 PolarHBondContact OD1-N 3.1Å; N64-L101 PolarHBondContact ND2-O 3.17Å; N64-P103 HydrophobicContact CB-CB 3.71Å; N64-P103 HydrophobicContact CB-CG 3.9Å
65	Y	68.1	Low	65.6	Low	37 Å²	37	44 Å²	44	15%	0.145	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.9	175.5	-81.7	-53.3	0	0	0	111.9	G67 A99 Q102 P104 I114 L141 L144 N146	Y65-G67 PolarHBondContact O-N 3.04Å; Y65-A99 WeakPolarHBondContact CD2-O 3.19Å; Y65-Q102 WeakPolarHBondContact CD2-O 3.49Å; Y65-P104 HydrophobicContact CD1-CG 4.37Å; Y65-P104 HydrophobicContact CE1-CG 3.92Å; Y65-I114 HydrophobicContact CD2-CD1 4.19Å; Y65-I114 HydrophobicContact CE2-CG1 4.47Å; Y65-L141 WeakPolarHBondContact O-CD2 3.28Å; Y65-L144 HydrophobicContact CD1-CD1 3.89Å; Y65-L144 HydrophobicContact CE1-CD1 4.48Å; Y65-L144 HydrophobicContact CG-CD1 4.5Å; Y65-N146 HydrophobicContact CE1-CB 4.16Å
66	L	72	Confident	65.9	Low	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.6	167.1	-71.3	164.3	0	0	0	113.3	N64 Y68 F81 L100 I136 K139 L141	N64-L66 PolarHBondContact O-N 2.76Å; N64-L66 VanDerWaalsContact OD1-C 3.23Å; N64-L66 VanDerWaalsContact OD1-CA 3.28Å; N64-L66 WeakPolarHBondContact OD1-CA 3.07Å; N64-L66 VanDerWaalsContact OD1-CB 3.3Å; N64-L66 WeakPolarHBondContact OD1-CB 3.07Å; N64-L66 PolarHBondContact OD1-N 3.06Å; L66-Y68 HydrophobicContact CB-CD2 3.92Å; L66-Y68 HydrophobicContact CB-CE1 4.27Å; L66-Y68 HydrophobicContact CB-CE2 3.6Å; L66-Y68 HydrophobicContact CB-CG 4.35Å; L66-Y68 HydrophobicContact CD1-CD2 4.49Å; L66-Y68 HydrophobicContact CD1-CE2 3.62Å; L66-Y68 HydrophobicContact CG-CE2 4.24Å; L66-Y68 PolarHBondContact O-N 2.04Å; L66-F81 HydrophobicContact CD1-CE2 4Å; L66-F81 HydrophobicContact CD1-CZ 3.52Å; L66-L100 HydrophobicContact CD1-CB 4.4Å; L66-I136 HydrophobicContact CD1-CG1 4.16Å; L66-I136 HydrophobicContact CD2-CB 4.25Å; L66-I136 HydrophobicContact CD2-CG1 3.92Å; L66-K139 HydrophobicContact CD2-CD 4.44Å; L66-K139 PolarHBondContact O-NZ 2.89Å; L66-L141 HydrophobicContact CD2-CD1 3.44Å; L66-L141 VanDerWaalsContact CD2-CD1 3.44Å; L66-L141 HydrophobicContact CG-CD1 4.17Å
67	G	70.8	Confident	66.6	Low	35 Å²	35	44.6 Å²	44.6	36%	0.361	25%	0.251	S	S	.	.			trans	73	4	178.9	0	0	0	0	0	115.1	N64 Y65 K69	N64-G67 VanDerWaalsContact O-CA 3.3Å; N64-G67 WeakPolarHBondContact O-CA 3.35Å; N64-G67 PolarHBondContact O-N 2.73Å; N64-G67 PolarHBondContact OD1-N 2.84Å; Y65-G67 PolarHBondContact O-N 3.04Å; G67-K69 PolarHBondContact O-N 3.46Å
68	Y	74.6	Confident	67.2	Low	13 Å²	13	44 Å²	44	5%	0.051	25%	0.249	C	C	.	.			trans	-59.7	123.6	177	-58.5	-38	0	0	0	109.6	Y62 P63 N64 L66 E73 A74 S77 L101 E135	Y62-Y68 WeakPolarHBondContact CD1-O 3.23Å; P63-Y68 CarbonylContact C-O 3.58Å; P63-Y68 WeakPolarHBondContact CA-O 3.06Å; N64-Y68 PolarHBondContact N-O 2.77Å; N64-Y68 WeakPolarHBondContact ND2-CD2 3.05Å; N64-Y68 WeakPolarHBondContact OD1-CB 3.33Å; N64-Y68 WeakPolarHBondContact OD1-CD2 3.38Å; N64-Y68 PolarHBondContact OD1-N 3.1Å; L66-Y68 HydrophobicContact CB-CD2 3.92Å; L66-Y68 HydrophobicContact CB-CE1 4.27Å; L66-Y68 HydrophobicContact CB-CE2 3.6Å; L66-Y68 HydrophobicContact CB-CG 4.35Å; L66-Y68 HydrophobicContact CD1-CD2 4.49Å; L66-Y68 HydrophobicContact CD1-CE2 3.62Å; L66-Y68 HydrophobicContact CG-CE2 4.24Å; L66-Y68 PolarHBondContact O-N 2.04Å; Y68-E73 VanDerWaalsContact CA-OE2 3.24Å; Y68-E73 WeakPolarHBondContact CA-OE2 3.23Å; Y68-E73 HydrophobicContact CD1-CB 3.95Å; Y68-E73 HydrophobicContact CG-CB 4.1Å; Y68-A74 HydrophobicContact CD2-CB 3.73Å; Y68-A74 HydrophobicContact CE2-CB 4.49Å; Y68-A74 HydrophobicContact CG-CB 4.32Å; Y68-S77 VanDerWaalsContact CZ-OG 3.26Å; Y68-S77 WeakPolarHBondContact OH-CB 2.99Å; Y68-S77 PolarHBondContact OH-OG 3.25Å; Y68-L101 HydrophobicContact CE2-CD2 4.44Å; Y68-E135 WeakPolarHBondContact CE1-OE2 3.45Å; Y68-E135 VanDerWaalsContact CZ-OE2 3.22Å; Y68-E135 PolarHBondContact OH-OE2 3.07Å
69	K	73.6	Confident	67.8	Low	150 Å²	150	43.8 Å²	43.8	65%	0.652	25%	0.25	S	S	*	.			trans	-86.9	-15.6	-176.6	-61.5	161.4	-165.3	148.3	0	112.5	Y62 P63 G67 E73	Y62-K69 VanDerWaalsContact CB-O 3.24Å; Y62-K69 WeakPolarHBondContact CB-O 3.17Å; P63-K69 HydrophobicContact CB-CG 4.45Å; G67-K69 PolarHBondContact O-N 3.46Å; K69-E73 PolarHBondContact N-OE2 3.31Å
70	T	70.6	Confident	68.3	Low	40 Å²	40	44.8 Å²	44.8	25%	0.245	25%	0.252	C	S	.	.	S	Bend	trans	-139.2	159.7	-174.1	85.9	0	0	0	0	112.9	Y62 E72 E73 A74	Y62-T70 VanDerWaalsContact CE1-O 3.32Å; Y62-T70 WeakPolarHBondContact CE1-O 3.5Å; T70-E72 WeakPolarHBondContact CB-OE2 2.97Å; T70-E72 PolarHBondContact O-N 3.39Å; T70-E72 PolarHBondContact OG1-N 3.01Å; T70-E72 VanDerWaalsContact OG1-N 3.15Å; T70-E72 PolarHBondContact OG1-OE2 2.04Å; T70-E73 PolarHBondContact O-N 3.47Å; T70-E73 PolarHBondContact OG1-N 3.24Å; T70-E73 VanDerWaalsContact OG1-N 3.17Å; T70-A74 PolarHBondContact O-N 3.08Å
71	P	65.9	Low	68.7	Low	18 Å²	18	43.6 Å²	43.6	12%	0.117	24%	0.244	C	C	.	.	H	α-helix	trans	-49	-38.5	165.7	-31.5	39.6	0	0	0	114.3	Y43 V45 Y62 A74 T75	Y43-P71 VanDerWaalsContact O-CG 3.29Å; Y43-P71 WeakPolarHBondContact O-CG 3.38Å; V45-P71 HydrophobicContact CG2-CB 3.47Å; V45-P71 VanDerWaalsContact CG2-CB 3.47Å; V45-P71 WeakPolarHBondContact CG2-O 3.34Å; Y62-P71 HydrophobicContact CD2-CG 4.46Å; Y62-P71 HydrophobicContact CE2-CG 3.81Å; P71-A74 PolarHBondContact O-N 2.71Å; P71-T75 VanDerWaalsContact O-CB 3.31Å; P71-T75 WeakPolarHBondContact O-CB 3.09Å; P71-T75 PolarHBondContact O-N 3.45Å; P71-T75 PolarHBondContact O-OG1 2.03Å
72	E	63	Low	68.8	Low	78 Å²	78	45.3 Å²	45.3	36%	0.364	25%	0.249	S	C	.	.	H	α-helix	trans	-74.1	-42	-176.1	-54.5	69.5	-139.2	0	0	112	Y43 T70 A74 T75 A76	Y43-E72 WeakPolarHBondContact CB-OE1 3.35Å; Y43-E72 VanDerWaalsContact CD2-OE1 3.32Å; Y43-E72 WeakPolarHBondContact CD2-OE1 3.44Å; T70-E72 WeakPolarHBondContact CB-OE2 2.97Å; T70-E72 PolarHBondContact O-N 3.39Å; T70-E72 PolarHBondContact OG1-N 3.01Å; T70-E72 VanDerWaalsContact OG1-N 3.15Å; T70-E72 PolarHBondContact OG1-OE2 2.04Å; E72-A74 VanDerWaalsContact C-N 3.26Å; E72-A74 PolarHBondContact O-N 2.97Å; E72-T75 VanDerWaalsContact O-CB 3.32Å; E72-T75 WeakPolarHBondContact O-CB 3.42Å; E72-T75 PolarHBondContact O-N 3Å; E72-T75 VanDerWaalsContact O-N 3.11Å; E72-A76 PolarHBondContact O-N 2.77Å
73	E	68.8	Low	69	Low	74 Å²	74	46.1 Å²	46.1	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-58.5	-41.8	173.8	-70.9	178.7	-160	0	0	110.5	Y68 K69 T70	Y68-E73 VanDerWaalsContact CA-OE2 3.24Å; Y68-E73 WeakPolarHBondContact CA-OE2 3.23Å; Y68-E73 HydrophobicContact CD1-CB 3.95Å; Y68-E73 HydrophobicContact CG-CB 4.1Å; K69-E73 PolarHBondContact N-OE2 3.31Å; T70-E73 PolarHBondContact O-N 3.47Å; T70-E73 PolarHBondContact OG1-N 3.24Å; T70-E73 VanDerWaalsContact OG1-N 3.17Å
74	A	67.8	Low	69.1	Low	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-38.7	173.5	0	0	0	0	0	112.9	W57 Y62 Y68 T70 P71 E72 A76 S77 L78	W57-A74 HydrophobicContact CH2-CB 4.16Å; Y62-A74 HydrophobicContact CE1-CB 3.97Å; Y68-A74 HydrophobicContact CD2-CB 3.73Å; Y68-A74 HydrophobicContact CE2-CB 4.49Å; Y68-A74 HydrophobicContact CG-CB 4.32Å; T70-A74 PolarHBondContact O-N 3.08Å; P71-A74 PolarHBondContact O-N 2.71Å; E72-A74 VanDerWaalsContact C-N 3.26Å; E72-A74 PolarHBondContact O-N 2.97Å; A74-A76 PolarHBondContact O-N 2.79Å; A74-S77 PolarHBondContact O-N 2.99Å; A74-L78 WeakPolarHBondContact O-CD2 3.08Å; A74-L78 WeakPolarHBondContact O-CG 3.19Å
75	T	67.1	Low	69.2	Low	53 Å²	53	42.4 Å²	42.4	33%	0.325	23%	0.233	S	C	.	.	H	α-helix	trans	-57.5	-44.9	178.7	-66.9	0	0	0	0	112.4	V45 L48 P71 E72 S77 L78	V45-T75 VanDerWaalsContact CG1-OG1 3.26Å; V45-T75 WeakPolarHBondContact CG1-OG1 3.34Å; L48-T75 HydrophobicContact CD1-CG2 3.64Å; P71-T75 VanDerWaalsContact O-CB 3.31Å; P71-T75 WeakPolarHBondContact O-CB 3.09Å; P71-T75 PolarHBondContact O-N 3.45Å; P71-T75 PolarHBondContact O-OG1 2.03Å; E72-T75 VanDerWaalsContact O-CB 3.32Å; E72-T75 WeakPolarHBondContact O-CB 3.42Å; E72-T75 PolarHBondContact O-N 3Å; E72-T75 VanDerWaalsContact O-N 3.11Å; T75-S77 PolarHBondContact O-N 3.26Å; T75-L78 WeakPolarHBondContact O-CG 3.39Å; T75-L78 PolarHBondContact O-N 2.75Å
76	A	65.9	Low	69.3	Low	73 Å²	73	47.4 Å²	47.4	60%	0.603	26%	0.257	S	S	*	.	H	α-helix	trans	-59.1	-34.4	-179.7	0	0	0	0	0	112.3	E72 A74 L78	E72-A76 PolarHBondContact O-N 2.77Å; A74-A76 PolarHBondContact O-N 2.79Å; A76-L78 VanDerWaalsContact C-N 3.35Å; A76-L78 PolarHBondContact O-N 3.34Å
77	S	69.5	Low	69.3	Low	8 Å²	8	53 Å²	53	6%	0.056	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.2	-175.8	-57.7	0	0	0	0	115.1	Y68 A74 T75 S79 F80 F81	Y68-S77 VanDerWaalsContact CZ-OG 3.26Å; Y68-S77 WeakPolarHBondContact OH-CB 2.99Å; Y68-S77 PolarHBondContact OH-OG 3.25Å; A74-S77 PolarHBondContact O-N 2.99Å; T75-S77 PolarHBondContact O-N 3.26Å; S77-S79 PolarHBondContact O-N 2.87Å; S77-F80 WeakPolarHBondContact O-CD2 3.43Å; S77-F80 PolarHBondContact O-N 2.03Å; S77-F81 WeakPolarHBondContact O-CD2 3.02Å
78	L	68.7	Low	69.3	Low	3 Å²	3	56.2 Å²	56.2	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-76.6	-20.1	-169.5	-57.8	-172	0	0	0	114.5	V45 L48 L49 W57 A74 T75 A76 F80 F81 Q82 L101	V45-L78 HydrophobicContact CG1-CD1 3.51Å; L48-L78 HydrophobicContact CB-CB 4.42Å; L48-L78 HydrophobicContact CB-CD1 3.36Å; L48-L78 HydrophobicContact CB-CG 4.5Å; L48-L78 HydrophobicContact CD1-CD1 3.94Å; L48-L78 HydrophobicContact CG-CD1 4.3Å; L49-L78 HydrophobicContact CD1-CD1 4.4Å; L49-L78 HydrophobicContact CD1-CD2 3.83Å; L49-L78 HydrophobicContact CD2-CB 4.18Å; L49-L78 HydrophobicContact CD2-CD2 4.14Å; L49-L78 HydrophobicContact CD2-CG 4.49Å; L49-L78 HydrophobicContact CG-CD1 4.11Å; L49-L78 HydrophobicContact CG-CD2 4.13Å; L49-L78 HydrophobicContact CG-CG 4.49Å; W57-L78 HydrophobicContact CZ2-CD1 4.38Å; A74-L78 WeakPolarHBondContact O-CD2 3.08Å; A74-L78 WeakPolarHBondContact O-CG 3.19Å; T75-L78 WeakPolarHBondContact O-CG 3.39Å; T75-L78 PolarHBondContact O-N 2.75Å; A76-L78 VanDerWaalsContact C-N 3.35Å; A76-L78 PolarHBondContact O-N 3.34Å; L78-F80 VanDerWaalsContact C-N 3.34Å; L78-F80 PolarHBondContact O-N 2.97Å; L78-F81 HydrophobicContact CD2-CD2 3.79Å; L78-F81 HydrophobicContact CD2-CE2 4.38Å; L78-F81 PolarHBondContact O-N 2.75Å; L78-Q82 WeakPolarHBondContact O-CG 3.48Å; L78-Q82 PolarHBondContact O-N 2.73Å; L78-L101 HydrophobicContact CD2-CD1 4.04Å; L78-L101 HydrophobicContact CD2-CD2 4.26Å
79	S	67.6	Low	69.1	Low	59 Å²	59	57.3 Å²	57.3	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-55.9	-46.6	167	50.8	0	0	0	0	111.6	S77 F81 Q82 I83	S77-S79 PolarHBondContact O-N 2.87Å; S79-F81 VanDerWaalsContact C-N 3.34Å; S79-F81 PolarHBondContact O-N 3.08Å; S79-Q82 PolarHBondContact O-N 2.75Å; S79-I83 WeakPolarHBondContact O-CG1 3.27Å; S79-I83 PolarHBondContact O-N 2.75Å
80	F	68.9	Low	69.1	Low	86 Å²	86	52.3 Å²	52.3	38%	0.377	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-41.5	177.7	-57	-68.6	0	0	0	112	S77 L78 I83 M84 T134	S77-F80 WeakPolarHBondContact O-CD2 3.43Å; S77-F80 PolarHBondContact O-N 2.03Å; L78-F80 VanDerWaalsContact C-N 3.34Å; L78-F80 PolarHBondContact O-N 2.97Å; F80-I83 PolarHBondContact O-N 2.99Å; F80-M84 WeakPolarHBondContact O-CG 3.12Å; F80-M84 PolarHBondContact O-N 2.78Å; F80-T134 HydrophobicContact CB-CG2 4.04Å; F80-T134 HydrophobicContact CD1-CG2 3.95Å; F80-T134 HydrophobicContact CG-CG2 4.17Å
81	F	71.2	Confident	69.1	Low	1 Å²	1	56.9 Å²	56.9	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-67.8	-35.4	177.5	-74.9	-70.8	0	0	0	113.3	L49 F51 L66 S77 L78 S79 M84 T85 S97 L100 L101 I136	L49-F81 HydrophobicContact CD2-CB 3.83Å; F51-F81 HydrophobicContact CZ-CB 4.24Å; F51-F81 WeakPolarHBondContact CZ-O 3.32Å; L66-F81 HydrophobicContact CD1-CE2 4Å; L66-F81 HydrophobicContact CD1-CZ 3.52Å; S77-F81 WeakPolarHBondContact O-CD2 3.02Å; L78-F81 HydrophobicContact CD2-CD2 3.79Å; L78-F81 HydrophobicContact CD2-CE2 4.38Å; L78-F81 PolarHBondContact O-N 2.75Å; S79-F81 VanDerWaalsContact C-N 3.34Å; S79-F81 PolarHBondContact O-N 3.08Å; F81-M84 HydrophobicContact CD1-CE 3.71Å; F81-M84 HydrophobicContact CE1-CE 3.99Å; F81-T85 WeakPolarHBondContact O-CG2 3.08Å; F81-T85 PolarHBondContact O-N 3.26Å; F81-T85 PolarHBondContact O-OG1 2.88Å; F81-S97 WeakPolarHBondContact CE1-O 3Å; F81-L100 HydrophobicContact CE1-CB 4.18Å; F81-L100 HydrophobicContact CE1-CD1 3.8Å; F81-L100 HydrophobicContact CZ-CB 4.26Å; F81-L100 HydrophobicContact CZ-CD1 4.37Å; F81-L101 HydrophobicContact CD1-CD1 4.22Å; F81-L101 HydrophobicContact CD2-CD1 3.87Å; F81-L101 HydrophobicContact CD2-CD2 4.28Å; F81-L101 HydrophobicContact CD2-CG 4.28Å; F81-L101 HydrophobicContact CE1-CD1 4.1Å; F81-L101 HydrophobicContact CE1-CG 4.05Å; F81-L101 HydrophobicContact CE2-CD1 3.77Å; F81-L101 HydrophobicContact CE2-CD2 3.52Å; F81-L101 HydrophobicContact CE2-CG 3.66Å; F81-L101 HydrophobicContact CG-CD1 4.07Å; F81-L101 HydrophobicContact CZ-CD1 3.85Å; F81-L101 HydrophobicContact CZ-CD2 3.77Å; F81-L101 HydrophobicContact CZ-CG 3.48Å; F81-L101 VanDerWaalsContact CZ-CG 3.48Å; F81-I136 HydrophobicContact CD1-CD1 4.22Å; F81-I136 HydrophobicContact CE1-CD1 3.63Å; F81-I136 HydrophobicContact CE2-CD1 4.43Å; F81-I136 HydrophobicContact CZ-CD1 3.77Å; F81-I136 HydrophobicContact CZ-CG1 4.38Å
82	Q	69	Low	69.4	Low	69 Å²	69	57 Å²	57	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-44.8	171.6	-70.3	174	8.7	0	0	110.9	L48 L49 F51 L78 S79 T85 Q86	L48-Q82 PolarHBondContact O-NE2 3.24Å; L49-Q82 HydrophobicContact CD2-CG 4.46Å; F51-Q82 HydrophobicContact CE1-CG 4.38Å; L78-Q82 WeakPolarHBondContact O-CG 3.48Å; L78-Q82 PolarHBondContact O-N 2.73Å; S79-Q82 PolarHBondContact O-N 2.75Å; Q82-T85 PolarHBondContact O-N 2.75Å; Q82-T85 PolarHBondContact O-OG1 3.34Å; Q82-Q86 WeakPolarHBondContact O-CB 3.45Å; Q82-Q86 VanDerWaalsContact O-CG 3.23Å; Q82-Q86 WeakPolarHBondContact O-CG 3.39Å; Q82-Q86 PolarHBondContact O-N 3.32Å
83	I	69.9	Low	69.9	Low	79 Å²	79	53.2 Å²	53.2	41%	0.405	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-52.8	176.3	-67.5	163.2	0	0	0	110.8	S79 F80 T85 Q86 Q87	S79-I83 WeakPolarHBondContact O-CG1 3.27Å; S79-I83 PolarHBondContact O-N 2.75Å; F80-I83 PolarHBondContact O-N 2.99Å; I83-T85 PolarHBondContact O-N 2.84Å; I83-Q86 PolarHBondContact O-N 3.29Å; I83-Q87 HydrophobicContact CG2-CG 4.46Å; I83-Q87 WeakPolarHBondContact O-CG 3.09Å; I83-Q87 PolarHBondContact O-N 3.46Å
84	M	68.8	Low	70.1	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-34.5	-179.5	-72	-158.1	-52.2	0	0	113.6	F80 F81 I93 L131 I136	F80-M84 WeakPolarHBondContact O-CG 3.12Å; F80-M84 PolarHBondContact O-N 2.78Å; F81-M84 HydrophobicContact CD1-CE 3.71Å; F81-M84 HydrophobicContact CE1-CE 3.99Å; M84-I93 HydrophobicContact CB-CG1 4.48Å; M84-L131 HydrophobicContact CE-CD2 4.18Å; M84-L131 HydrophobicContact SD-CD2 3.32Å; M84-L131 WeakPolarHBondContact SD-CD2 3.37Å; M84-L131 HydrophobicContact SD-CG 3.79Å; M84-I136 HydrophobicContact CE-CD1 3.37Å; M84-I136 HydrophobicContact SD-CD1 4Å
85	T	71.2	Confident	70.4	Confident	12 Å²	12	57.4 Å²	57.4	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-85.8	-26.2	-179	52.4	0	0	0	0	113.5	F51 F81 Q82 I83 N88 I93 Q94 S97	F51-T85 HydrophobicContact CD2-CG2 4.04Å; F51-T85 HydrophobicContact CE1-CG2 4.12Å; F51-T85 WeakPolarHBondContact CE1-OG1 3.24Å; F51-T85 HydrophobicContact CE2-CG2 3.57Å; F51-T85 HydrophobicContact CZ-CG2 3.58Å; F51-T85 WeakPolarHBondContact CZ-OG1 3.45Å; F81-T85 WeakPolarHBondContact O-CG2 3.08Å; F81-T85 PolarHBondContact O-N 3.26Å; F81-T85 PolarHBondContact O-OG1 2.88Å; Q82-T85 PolarHBondContact O-N 2.75Å; Q82-T85 PolarHBondContact O-OG1 3.34Å; I83-T85 PolarHBondContact O-N 2.84Å; T85-N88 PolarHBondContact O-N 2.73Å; T85-I93 HydrophobicContact CG2-CG2 4.49Å; T85-Q94 HydrophobicContact CG2-CB 4.3Å; T85-Q94 HydrophobicContact CG2-CG 3.71Å; T85-S97 WeakPolarHBondContact CG2-OG 2.99Å
86	Q	71.3	Confident	70.8	Confident	141 Å²	141	55.1 Å²	55.1	66%	0.659	28%	0.282	S	S	*	.	H	α-helix	trans	-66.6	-39.4	167.2	-74.6	168.2	2.4	0	0	112.1	Q82 I83 N88	Q82-Q86 WeakPolarHBondContact O-CB 3.45Å; Q82-Q86 VanDerWaalsContact O-CG 3.23Å; Q82-Q86 WeakPolarHBondContact O-CG 3.39Å; Q82-Q86 PolarHBondContact O-N 3.32Å; I83-Q86 PolarHBondContact O-N 3.29Å; Q86-N88 PolarHBondContact O-N 2.92Å
87	Q	71.7	Confident	71.2	Confident	118 Å²	118	51.6 Å²	51.6	55%	0.551	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.9	177.9	-64	-58	-41.1	0	0	113.5	I83 C89 L130	I83-Q87 HydrophobicContact CG2-CG 4.46Å; I83-Q87 WeakPolarHBondContact O-CG 3.09Å; I83-Q87 PolarHBondContact O-N 3.46Å; Q87-C89 PolarHBondContact O-N 2.03Å; Q87-L130 HydrophobicContact CB-CD1 3.63Å; Q87-L130 HydrophobicContact CG-CD1 3.73Å; Q87-L130 HydrophobicContact CG-CD2 4.36Å
88	N	70.3	Confident	71.5	Confident	102 Å²	102	51.3 Å²	51.3	55%	0.545	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	32.1	173	-162.2	32.5	0	0	0	115.1	T85 Q86 H90	T85-N88 PolarHBondContact O-N 2.73Å; Q86-N88 PolarHBondContact O-N 2.92Å; N88-H90 PolarHBondContact O-N 2.68Å; N88-H90 VanDerWaalsContact O-N 3.07Å
89	C	71.6	Confident	71.7	Confident	36 Å²	36	52 Å²	52	24%	0.243	26%	0.257	C	S	.	.			trans	-62.5	-18.1	-171	51.4	0	0	0	0	114.7	Q87 S126 C127	Q87-C89 PolarHBondContact O-N 2.03Å; C89-S126 WeakPolarHBondContact O-CB 3.24Å; C89-C127 HydrophobicContact CB-CB 4.09Å; C89-C127 WeakPolarHBondContact CB-SG 3.05Å; C89-C127 WeakPolarHBondContact SG-CB 3.48Å; C89-C127 CovalentContact SG-SG 2.04Å; C89-C127 PolarHBondContact SG-SG 3.13Å
90	H	73.6	Confident	71.9	Confident	46 Å²	46	49.2 Å²	49.2	21%	0.213	24%	0.238	C	C	.	.	S	Bend	trans	-147.2	143.5	170.6	-173.3	-93.5	0	0	0	110.4	N88 H92 I93 F118 G122	N88-H90 PolarHBondContact O-N 2.68Å; N88-H90 VanDerWaalsContact O-N 3.07Å; H90-H92 AromaticContact CE1-CD2 3.9Å; H90-H92 PolarHBondContact ND1-N 2.03Å; H90-H92 PolarHBondContact O-N 2.02Å; H90-I93 VanDerWaalsContact O-CB 3.3Å; H90-I93 WeakPolarHBondContact O-CB 3.1Å; H90-I93 WeakPolarHBondContact O-CG2 3.02Å; H90-I93 PolarHBondContact O-N 3.13Å; H90-F118 AromaticContact CE1-CD2 3.83Å; H90-F118 AromaticContact CE1-CE2 3.54Å; H90-F118 AromaticContact ND1-CE2 3.34Å; H90-F118 VanDerWaalsContact ND1-CE2 3.34Å; H90-F118 WeakPolarHBondContact ND1-CE2 3.41Å; H90-G122 PolarHBondContact CD2-O 2.87Å
91	H	70.3	Confident	72	Confident	136 Å²	136	45.1 Å²	45.1	63%	0.63	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-29.3	-175.8	-179.1	-109.4	0	0	0	114.6
92	H	70.5	Confident	71.8	Confident	19 Å²	19	46.2 Å²	46.2	9%	0.088	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	12.7	179.4	-62	-83.6	0	0	0	114.2	H90 Q94 Y95 F96 F118 I156	H90-H92 AromaticContact CE1-CD2 3.9Å; H90-H92 PolarHBondContact ND1-N 2.03Å; H90-H92 PolarHBondContact O-N 2.02Å; H92-Q94 PolarHBondContact O-N 3.19Å; H92-Y95 HydrophobicContact CB-CD2 4.42Å; H92-Y95 AromaticContact ND1-CD2 3.96Å; H92-Y95 WeakPolarHBondContact O-CB 3.12Å; H92-Y95 PolarHBondContact O-N 2.75Å; H92-F96 PolarHBondContact O-N 2.99Å; H92-F118 HydrophobicContact CB-CD2 4.39Å; H92-F118 HydrophobicContact CB-CE1 4.01Å; H92-F118 HydrophobicContact CB-CE2 3.66Å; H92-F118 HydrophobicContact CB-CZ 3.41Å; H92-F118 VanDerWaalsContact CB-CZ 3.41Å; H92-F118 WeakPolarHBondContact O-CZ 3.31Å; H92-I156 PolarHBondContact CE1-O 3.46Å
93	I	74.4	Confident	71.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-31.8	-176.5	-167.8	57.2	0	0	0	112.9	M84 T85 H90 F96 S97 C127	M84-I93 HydrophobicContact CB-CG1 4.48Å; T85-I93 HydrophobicContact CG2-CG2 4.49Å; H90-I93 VanDerWaalsContact O-CB 3.3Å; H90-I93 WeakPolarHBondContact O-CB 3.1Å; H90-I93 WeakPolarHBondContact O-CG2 3.02Å; H90-I93 PolarHBondContact O-N 3.13Å; I93-F96 HydrophobicContact CD1-CB 4.37Å; I93-F96 HydrophobicContact CD1-CD1 3.97Å; I93-F96 PolarHBondContact O-N 3.43Å; I93-S97 WeakPolarHBondContact O-CB 3.31Å; I93-S97 PolarHBondContact O-N 2.88Å; I93-S97 PolarHBondContact O-OG 2.81Å; I93-C127 HydrophobicContact CD1-CB 4.32Å
94	Q	73.4	Confident	70.5	Confident	73 Å²	73	43 Å²	43	34%	0.341	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-48.2	172.2	-67.3	173.6	-0.7	0	0	111.5	F51 T85 H92 F96 S97 C98	F51-Q94 HydrophobicContact CB-CG 4.5Å; F51-Q94 HydrophobicContact CD2-CB 4.21Å; F51-Q94 HydrophobicContact CD2-CG 4.25Å; T85-Q94 HydrophobicContact CG2-CB 4.3Å; T85-Q94 HydrophobicContact CG2-CG 3.71Å; H92-Q94 PolarHBondContact O-N 3.19Å; Q94-F96 VanDerWaalsContact C-N 3.31Å; Q94-F96 PolarHBondContact O-N 3.14Å; Q94-S97 WeakPolarHBondContact O-CB 3.37Å; Q94-S97 PolarHBondContact O-N 3.49Å; Q94-C98 PolarHBondContact O-N 2.91Å; Q94-C98 PolarHBondContact O-SG 3.32Å
95	Y	72.9	Confident	69.6	Low	88 Å²	88	47.4 Å²	47.4	35%	0.345	25%	0.245	S	C	.	.	H	α-helix	trans	-59.8	-40	175.1	-69.5	-97.9	0	0	0	112.1	H55 H92 A99 I156	H55-Y95 AromaticContact CE1-CD1 3.97Å; H55-Y95 AromaticContact CE1-CE1 3.27Å; H55-Y95 WeakPolarHBondContact CE1-CE1 3.45Å; H55-Y95 AromaticContact CE1-CZ 3.41Å; H55-Y95 VanDerWaalsContact CE1-CZ 3.41Å; H55-Y95 PolarHBondContact CE1-OH 3.05Å; H55-Y95 AromaticContact ND1-CD1 3.8Å; H55-Y95 AromaticContact ND1-CE1 3.42Å; H55-Y95 WeakPolarHBondContact ND1-CE1 3.34Å; H92-Y95 HydrophobicContact CB-CD2 4.42Å; H92-Y95 AromaticContact ND1-CD2 3.96Å; H92-Y95 WeakPolarHBondContact O-CB 3.12Å; H92-Y95 PolarHBondContact O-N 2.75Å; Y95-A99 WeakPolarHBondContact O-CB 3.35Å; Y95-A99 PolarHBondContact O-N 2.89Å; Y95-I156 HydrophobicContact CD1-CG2 3.74Å; Y95-I156 HydrophobicContact CD2-CG2 4.44Å; Y95-I156 HydrophobicContact CE1-CG2 3.85Å; Y95-I156 HydrophobicContact CG-CG2 4.05Å
96	F	75.8	Confident	68.7	Low	5 Å²	5	50.7 Å²	50.7	2%	0.022	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-51.5	174.9	-175.8	-115	0	0	0	111.8	H92 I93 Q94 C98 A99 L100 I114 F118 C119 V123 L131 I136	H92-F96 PolarHBondContact O-N 2.99Å; I93-F96 HydrophobicContact CD1-CB 4.37Å; I93-F96 HydrophobicContact CD1-CD1 3.97Å; I93-F96 PolarHBondContact O-N 3.43Å; Q94-F96 VanDerWaalsContact C-N 3.31Å; Q94-F96 PolarHBondContact O-N 3.14Å; F96-C98 VanDerWaalsContact C-N 3.29Å; F96-C98 PolarHBondContact O-N 3.12Å; F96-A99 PolarHBondContact O-N 3.2Å; F96-L100 HydrophobicContact CD1-CD1 3.6Å; F96-L100 HydrophobicContact CD1-CG 4.28Å; F96-L100 HydrophobicContact CD2-CG 4.39Å; F96-L100 HydrophobicContact CE1-CD1 3.35Å; F96-L100 HydrophobicContact CE1-CD2 4.31Å; F96-L100 HydrophobicContact CE1-CG 4.04Å; F96-L100 HydrophobicContact CE2-CD1 4.34Å; F96-L100 HydrophobicContact CE2-CD2 4.11Å; F96-L100 HydrophobicContact CE2-CG 4.13Å; F96-L100 HydrophobicContact CG-CD1 4.22Å; F96-L100 HydrophobicContact CG-CG 4.46Å; F96-L100 HydrophobicContact CZ-CD1 3.76Å; F96-L100 HydrophobicContact CZ-CD2 3.83Å; F96-L100 HydrophobicContact CZ-CG 3.96Å; F96-L100 VanDerWaalsContact O-CG 3.32Å; F96-L100 WeakPolarHBondContact O-CG 3.43Å; F96-L100 PolarHBondContact O-N 3.49Å; F96-I114 HydrophobicContact CD2-CG2 4.25Å; F96-I114 HydrophobicContact CE2-CG2 4Å; F96-F118 HydrophobicContact CB-CE1 3.78Å; F96-F118 HydrophobicContact CB-CZ 3.72Å; F96-F118 HydrophobicContact CD2-CE1 4.27Å; F96-F118 HydrophobicContact CG-CE1 4.46Å; F96-F118 HydrophobicContact CG-CZ 4.46Å; F96-C119 HydrophobicContact CE2-CB 4.36Å; F96-C119 VanDerWaalsContact CE2-SG 3.59Å; F96-V123 HydrophobicContact CB-CG2 4.3Å; F96-V123 HydrophobicContact CD1-CG1 3.84Å; F96-V123 HydrophobicContact CD1-CG2 4.16Å; F96-V123 HydrophobicContact CD2-CG2 4.07Å; F96-V123 HydrophobicContact CE1-CG1 3.51Å; F96-V123 HydrophobicContact CE1-CG2 4.48Å; F96-V123 HydrophobicContact CE2-CG1 4.4Å; F96-V123 HydrophobicContact CE2-CG2 4.43Å; F96-V123 HydrophobicContact CG-CG1 4.39Å; F96-V123 HydrophobicContact CG-CG2 3.93Å; F96-V123 HydrophobicContact CZ-CG1 3.83Å; F96-L131 HydrophobicContact CE1-CD1 4.34Å; F96-L131 HydrophobicContact CE1-CD2 4.1Å; F96-I136 HydrophobicContact CE1-CG2 4.19Å; F96-I136 HydrophobicContact CZ-CG2 4.43Å
97	S	75.5	Confident	67.4	Low	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-51.7	-47	177	-68.7	0	0	0	0	112.2	F81 T85 I93 Q94 L101	F81-S97 WeakPolarHBondContact CE1-O 3Å; T85-S97 WeakPolarHBondContact CG2-OG 2.99Å; I93-S97 WeakPolarHBondContact O-CB 3.31Å; I93-S97 PolarHBondContact O-N 2.88Å; I93-S97 PolarHBondContact O-OG 2.81Å; Q94-S97 WeakPolarHBondContact O-CB 3.37Å; Q94-S97 PolarHBondContact O-N 3.49Å; S97-L101 WeakPolarHBondContact O-CD1 3.01Å; S97-L101 WeakPolarHBondContact O-CG 3.05Å
98	C	75.4	Confident	66	Low	1 Å²	1	52.2 Å²	52.2	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-71	-35.1	178.1	-48.4	0	0	0	0	112.8	C52 H55 Q94 F96 L101 Q102	C52-C98 WeakPolarHBondContact CA-SG 2.94Å; C52-C98 HydrophobicContact CB-CB 3.91Å; C52-C98 WeakPolarHBondContact CB-SG 3.17Å; C52-C98 VanDerWaalsContact SG-CA 3.5Å; C52-C98 WeakPolarHBondContact SG-CB 3.02Å; C52-C98 CovalentContact SG-SG 2.04Å; C52-C98 PolarHBondContact SG-SG 2.82Å; H55-C98 HydrophobicContact CB-CB 3.95Å; Q94-C98 PolarHBondContact O-N 2.91Å; Q94-C98 PolarHBondContact O-SG 3.32Å; F96-C98 VanDerWaalsContact C-N 3.29Å; F96-C98 PolarHBondContact O-N 3.12Å; C98-L101 PolarHBondContact O-N 3.16Å; C98-Q102 WeakPolarHBondContact O-CG 3.39Å; C98-Q102 PolarHBondContact O-N 3.46Å
99	A	72.2	Confident	64.7	Low	18 Å²	18	55.7 Å²	55.7	15%	0.149	30%	0.303	C	S	.	.	H	α-helix	trans	-75.2	-25.7	-179	0	0	0	0	0	114.2	Y65 Y95 F96 L101 I114	Y65-A99 WeakPolarHBondContact CD2-O 3.19Å; Y95-A99 WeakPolarHBondContact O-CB 3.35Å; Y95-A99 PolarHBondContact O-N 2.89Å; F96-A99 PolarHBondContact O-N 3.2Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-I114 HydrophobicContact CB-CG1 4.01Å
100	L	72.8	Confident	63.6	Low	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-32.2	169	-74	167.5	0	0	0	113.3	L66 F81 F96 I114 I136 L141	L66-L100 HydrophobicContact CD1-CB 4.4Å; F81-L100 HydrophobicContact CE1-CB 4.18Å; F81-L100 HydrophobicContact CE1-CD1 3.8Å; F81-L100 HydrophobicContact CZ-CB 4.26Å; F81-L100 HydrophobicContact CZ-CD1 4.37Å; F96-L100 HydrophobicContact CD1-CD1 3.6Å; F96-L100 HydrophobicContact CD1-CG 4.28Å; F96-L100 HydrophobicContact CD2-CG 4.39Å; F96-L100 HydrophobicContact CE1-CD1 3.35Å; F96-L100 HydrophobicContact CE1-CD2 4.31Å; F96-L100 HydrophobicContact CE1-CG 4.04Å; F96-L100 HydrophobicContact CE2-CD1 4.34Å; F96-L100 HydrophobicContact CE2-CD2 4.11Å; F96-L100 HydrophobicContact CE2-CG 4.13Å; F96-L100 HydrophobicContact CG-CD1 4.22Å; F96-L100 HydrophobicContact CG-CG 4.46Å; F96-L100 HydrophobicContact CZ-CD1 3.76Å; F96-L100 HydrophobicContact CZ-CD2 3.83Å; F96-L100 HydrophobicContact CZ-CG 3.96Å; F96-L100 VanDerWaalsContact O-CG 3.32Å; F96-L100 WeakPolarHBondContact O-CG 3.43Å; F96-L100 PolarHBondContact O-N 3.49Å; L100-I114 HydrophobicContact CD2-CD1 3.71Å; L100-I114 HydrophobicContact CG-CD1 4.2Å; L100-I136 HydrophobicContact CD1-CD1 4.04Å; L100-I136 HydrophobicContact CD1-CG1 4.42Å; L100-I136 HydrophobicContact CD1-CG2 3.42Å; L100-I136 VanDerWaalsContact CD1-CG2 3.42Å; L100-I136 HydrophobicContact CD2-CG2 3.83Å; L100-I136 HydrophobicContact CG-CG2 4.29Å; L100-L141 HydrophobicContact CD2-CB 4.04Å; L100-L141 HydrophobicContact CD2-CD1 3.4Å; L100-L141 HydrophobicContact CD2-CG 4.31Å
101	L	70.2	Confident	62.6	Low	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-84.2	-33.7	-177.7	-80.6	173.4	0	0	0	111.5	L49 W57 T60 N64 Y68 L78 F81 S97 C98 A99	L49-L101 HydrophobicContact CD1-CD1 3.19Å; W57-L101 HydrophobicContact CE3-CB 3.63Å; W57-L101 HydrophobicContact CE3-CD1 4.39Å; W57-L101 HydrophobicContact CH2-CB 4.35Å; W57-L101 HydrophobicContact CH2-CD1 4.4Å; W57-L101 HydrophobicContact CH2-CD2 4.07Å; W57-L101 HydrophobicContact CZ3-CB 3.52Å; W57-L101 HydrophobicContact CZ3-CD1 4.27Å; W57-L101 HydrophobicContact CZ3-CD2 4Å; W57-L101 HydrophobicContact CZ3-CG 4.16Å; T60-L101 WeakPolarHBondContact CG2-O 3.29Å; N64-L101 PolarHBondContact ND2-O 3.17Å; Y68-L101 HydrophobicContact CE2-CD2 4.44Å; L78-L101 HydrophobicContact CD2-CD1 4.04Å; L78-L101 HydrophobicContact CD2-CD2 4.26Å; F81-L101 HydrophobicContact CD1-CD1 4.22Å; F81-L101 HydrophobicContact CD2-CD1 3.87Å; F81-L101 HydrophobicContact CD2-CD2 4.28Å; F81-L101 HydrophobicContact CD2-CG 4.28Å; F81-L101 HydrophobicContact CE1-CD1 4.1Å; F81-L101 HydrophobicContact CE1-CG 4.05Å; F81-L101 HydrophobicContact CE2-CD1 3.77Å; F81-L101 HydrophobicContact CE2-CD2 3.52Å; F81-L101 HydrophobicContact CE2-CG 3.66Å; F81-L101 HydrophobicContact CG-CD1 4.07Å; F81-L101 HydrophobicContact CZ-CD1 3.85Å; F81-L101 HydrophobicContact CZ-CD2 3.77Å; F81-L101 HydrophobicContact CZ-CG 3.48Å; F81-L101 VanDerWaalsContact CZ-CG 3.48Å; S97-L101 WeakPolarHBondContact O-CD1 3.01Å; S97-L101 WeakPolarHBondContact O-CG 3.05Å; C98-L101 PolarHBondContact O-N 3.16Å; A99-L101 VanDerWaalsContact C-N 3.31Å
102	Q	67.8	Low	61.8	Low	25 Å²	25	55.4 Å²	55.4	12%	0.117	31%	0.307	C	S	.	.	S	Bend	trans	-57.7	151.9	160.2	-77.4	-176.2	-31	0	0	112.5	H55 G56 Y65 C98	H55-Q102 PolarHBondContact O-NE2 3.03Å; G56-Q102 VanDerWaalsContact C-NE2 3.26Å; G56-Q102 WeakPolarHBondContact O-CG 3.14Å; G56-Q102 PolarHBondContact O-NE2 2.73Å; Y65-Q102 WeakPolarHBondContact CD2-O 3.49Å; C98-Q102 WeakPolarHBondContact O-CG 3.39Å; C98-Q102 PolarHBondContact O-N 3.46Å
103	P	58	Low	61.2	Low	16 Å²	16	56 Å²	56	10%	0.104	31%	0.313	C	S	.	.			trans	-153	178.2	175.1	46.1	-31.8	0	0	0	118.2	T60 C61 N64 C105	T60-P103 HydrophobicContact CG2-CG 4.22Å; C61-P103 VanDerWaalsContact C-CG 3.46Å; C61-P103 HydrophobicContact CB-CG 4.04Å; C61-P103 VanDerWaalsContact N-CD 3.32Å; C61-P103 WeakPolarHBondContact O-CG 3.17Å; N64-P103 HydrophobicContact CB-CB 3.71Å; N64-P103 HydrophobicContact CB-CG 3.9Å; P103-C105 PolarHBondContact O-N 3.33Å
104	P	52.8	Low	60.8	Low	64 Å²	64	56.3 Å²	56.3	42%	0.416	32%	0.315	S	S	.	.			trans	-91.3	97.1	-177.8	35.1	-34	0	0	0	114.7	Y65 S106	Y65-P104 HydrophobicContact CD1-CG 4.37Å; Y65-P104 HydrophobicContact CE1-CG 3.92Å; P104-S106 PolarHBondContact O-N 3.29Å
105	C	49.6	Very low	60.5	Low	95 Å²	95	53.4 Å²	53.4	64%	0.642	30%	0.302	S	S	*	.			trans	-81.8	96.2	143	-100.1	0	0	0	0	109.2	C61 P103	C61-C105 HydrophobicContact CB-CB 3.71Å; P103-C105 PolarHBondContact O-N 3.33Å
106	S	52.2	Low	60.3	Low	82 Å²	82	51.2 Å²	51.2	57%	0.573	29%	0.294	S	S	*	.	S	Bend	trans	-72.7	145.4	176.4	-163.4	0	0	0	0	110.9	P104	P104-S106 PolarHBondContact O-N 3.29Å
107	H	44.1	Very low	59.8	Low	168 Å²	168	51.1 Å²	51.1	78%	0.778	29%	0.294	S	S	*	.	S	Bend	cis	-121.5	118.8	18.1	-72.6	-103	0	0	0	114
108	T	41.7	Very low	59.6	Low	123 Å²	123	52.7 Å²	52.7	76%	0.755	30%	0.301	S	S	*	.			trans	48.9	85.1	150.8	58.7	0	0	0	0	118.3
109	N	44.6	Very low	59.4	Low	175 Å²	175	52.6 Å²	52.6	94%	0.936	30%	0.301	S	S	*	.	S	Bend	trans	-156.4	105.2	138.1	-118.5	-12.7	0	0	0	111.2
110	G	47.5	Very low	59.3	Low	49 Å²	49	54.2 Å²	54.2	51%	0.505	31%	0.305	S	S	.	.	S	Bend	trans	132.2	-51.4	158.4	0	0	0	0	0	118.4	R152	G110-R152 VanDerWaalsContact C-NH1 3.26Å; G110-R152 PolarHBondContact O-NH1 3.44Å
111	R	52.1	Low	58.9	Low	115 Å²	115	55.7 Å²	55.7	43%	0.434	32%	0.317	S	S	.	.			trans	-96.5	165.4	-161.6	-60.5	-179.1	-169.9	120.8	19.9	114.4	D59 R152	D59-R111 PolarHBondContact O-NH1 3.24Å; D59-R111 IonicContact OD1-CZ 2.7Å; D59-R111 IonicContact OD1-NE 3.64Å; D59-R111 IonicContact OD1-NH2 3.24Å; D59-R111 PolarHBondContact OD1-NH2 2.82Å; D59-R111 IonicContact OD2-CZ 3.38Å; D59-R111 IonicContact OD2-NE 2.75Å; D59-R111 PolarHBondContact OD2-NE 3.36Å; D59-R111 IonicContact OD2-NH2 3.75Å; D59-R111 PolarHBondContact OD2-NH2 3.01Å; R111-R152 PolarHBondContact O-NH1 3.19Å
112	I	54.8	Low	58.7	Low	48 Å²	48	55.8 Å²	55.8	25%	0.246	32%	0.318	C	S	.	.			trans	-108	120.4	-171.5	-52.6	-178.8	0	0	0	108.1	R152	I112-R152 HydrophobicContact CD1-CB 4.3Å; I112-R152 HydrophobicContact CG1-CB 4.17Å; I112-R152 HydrophobicContact CG2-CB 3.99Å
113	P	58.3	Low	58.9	Low	30 Å²	30	54.7 Å²	54.7	20%	0.195	31%	0.313	C	S	.	.			trans	-68.2	158.5	173.2	-14.1	28.4	0	0	0	111.3	C115 N146 N148	P113-C115 PolarHBondContact O-N 2.82Å; P113-N146 WeakPolarHBondContact CB-O 3.03Å; P113-N148 HydrophobicContact CB-CB 3.95Å; P113-N148 HydrophobicContact CG-CB 4.01Å
114	I	65.3	Low	59.6	Low	8 Å²	8	56.7 Å²	56.7	4%	0.041	32%	0.32	C	S	.	.			trans	-51.9	125.7	173.8	-61.3	171.6	0	0	0	108.9	Y65 F96 A99 L100 K116 C119 A147 N148	Y65-I114 HydrophobicContact CD2-CD1 4.19Å; Y65-I114 HydrophobicContact CE2-CG1 4.47Å; F96-I114 HydrophobicContact CD2-CG2 4.25Å; F96-I114 HydrophobicContact CE2-CG2 4Å; A99-I114 HydrophobicContact CB-CG1 4.01Å; L100-I114 HydrophobicContact CD2-CD1 3.71Å; L100-I114 HydrophobicContact CG-CD1 4.2Å; I114-K116 PolarHBondContact O-N 2.98Å; I114-C119 HydrophobicContact CG2-CB 3.97Å; I114-A147 CarbonylContact O-C 3.6Å; I114-A147 VanDerWaalsContact O-CA 3.26Å; I114-A147 WeakPolarHBondContact O-CA 3.45Å; I114-N148 PolarHBondContact O-N 2.03Å
115	C	66.4	Low	60.3	Low	11 Å²	11	59.6 Å²	59.6	7%	0.074	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-74.9	110.7	-178.2	-65.4	0	0	0	0	109.1	P113 P117 F118 C119 N148 C153	P113-C115 PolarHBondContact O-N 2.82Å; C115-P117 VanDerWaalsContact C-CD 3.49Å; C115-F118 HydrophobicContact CB-CB 4.1Å; C115-F118 WeakPolarHBondContact O-CB 3.32Å; C115-F118 PolarHBondContact O-N 3.24Å; C115-C119 PolarHBondContact O-N 3.29Å; C115-N148 WeakPolarHBondContact CA-O 3.36Å; C115-C153 VanDerWaalsContact CA-SG 3.54Å; C115-C153 HydrophobicContact CB-CB 3.81Å; C115-C153 WeakPolarHBondContact CB-SG 3.42Å; C115-C153 WeakPolarHBondContact SG-CA 3.26Å; C115-C153 WeakPolarHBondContact SG-CB 3.47Å; C115-C153 CovalentContact SG-SG 2.03Å; C115-C153 PolarHBondContact SG-SG 3.13Å
116	K	69.5	Low	61.4	Low	42 Å²	42	58 Å²	58	18%	0.183	32%	0.323	C	S	.	.	H	α-helix	trans	-53.7	-46	-172.2	-177.6	157.5	176.8	164.7	0	113.4	I114 F118 C119 E120 C142 A147 N148 Y149	I114-K116 PolarHBondContact O-N 2.98Å; K116-F118 VanDerWaalsContact C-N 3.31Å; K116-F118 PolarHBondContact O-N 2.9Å; K116-C119 WeakPolarHBondContact O-CB 3.21Å; K116-C119 PolarHBondContact O-N 2.71Å; K116-C119 VanDerWaalsContact O-N 3.15Å; K116-E120 WeakPolarHBondContact CE-OE1 3.36Å; K116-E120 HydrophobicContact CG-CG 4.24Å; K116-E120 WeakPolarHBondContact CG-OE2 3.34Å; K116-E120 IonicContact NZ-OE1 3.43Å; K116-E120 WeakPolarHBondContact O-CG 3.05Å; K116-E120 PolarHBondContact O-N 3.25Å; K116-C142 WeakPolarHBondContact CD-O 3.39Å; K116-C142 VanDerWaalsContact CE-O 3.24Å; K116-C142 WeakPolarHBondContact CE-O 3.23Å; K116-C142 PolarHBondContact NZ-O 2.66Å; K116-A147 HydrophobicContact CB-CB 3.77Å; K116-A147 HydrophobicContact CD-CB 4.29Å; K116-A147 HydrophobicContact CG-CB 4.32Å; K116-N148 PolarHBondContact N-O 2.9Å; K116-Y149 HydrophobicContact CB-CE1 4.34Å; K116-Y149 HydrophobicContact CB-CE2 4.21Å; K116-Y149 HydrophobicContact CD-CE2 3.93Å; K116-Y149 WeakPolarHBondContact CD-OH 3.42Å; K116-Y149 WeakPolarHBondContact CE-OH 3.35Å; K116-Y149 HydrophobicContact CG-CE1 4.46Å; K116-Y149 HydrophobicContact CG-CE2 4.31Å
117	P	65.7	Low	62.5	Low	3 Å²	3	54.2 Å²	54.2	2%	0.019	30%	0.296	C	S	.	.	H	α-helix	trans	-57.8	-40.1	175.8	-23.6	32.6	0	0	0	113.6	C115 E120 A121 Y149 T167 M169	C115-P117 VanDerWaalsContact C-CD 3.49Å; P117-E120 PolarHBondContact O-N 3.32Å; P117-A121 PolarHBondContact O-N 2.88Å; P117-Y149 HydrophobicContact CG-CD1 3.53Å; P117-Y149 HydrophobicContact CG-CE1 3.67Å; P117-T167 HydrophobicContact CG-CG2 4.08Å; P117-M169 HydrophobicContact CB-CB 3.92Å; P117-M169 HydrophobicContact CB-CE 4.37Å; P117-M169 HydrophobicContact CB-CG 4.17Å; P117-M169 HydrophobicContact CB-SD 3.5Å; P117-M169 WeakPolarHBondContact CB-SD 3.29Å; P117-M169 VanDerWaalsContact O-SD 3.32Å
118	F	69.9	Low	63.9	Low	33 Å²	33	50.9 Å²	50.9	15%	0.145	28%	0.276	C	S	.	.	I	π-helix	trans	-68.9	-39.9	178.8	164.2	-132.2	0	0	0	111.1	H90 H92 F96 C115 K116 G122 V123	H90-F118 AromaticContact CE1-CD2 3.83Å; H90-F118 AromaticContact CE1-CE2 3.54Å; H90-F118 AromaticContact ND1-CE2 3.34Å; H90-F118 VanDerWaalsContact ND1-CE2 3.34Å; H90-F118 WeakPolarHBondContact ND1-CE2 3.41Å; H92-F118 HydrophobicContact CB-CD2 4.39Å; H92-F118 HydrophobicContact CB-CE1 4.01Å; H92-F118 HydrophobicContact CB-CE2 3.66Å; H92-F118 HydrophobicContact CB-CZ 3.41Å; H92-F118 VanDerWaalsContact CB-CZ 3.41Å; H92-F118 WeakPolarHBondContact O-CZ 3.31Å; F96-F118 HydrophobicContact CB-CE1 3.78Å; F96-F118 HydrophobicContact CB-CZ 3.72Å; F96-F118 HydrophobicContact CD2-CE1 4.27Å; F96-F118 HydrophobicContact CG-CE1 4.46Å; F96-F118 HydrophobicContact CG-CZ 4.46Å; C115-F118 HydrophobicContact CB-CB 4.1Å; C115-F118 WeakPolarHBondContact O-CB 3.32Å; C115-F118 PolarHBondContact O-N 3.24Å; K116-F118 VanDerWaalsContact C-N 3.31Å; K116-F118 PolarHBondContact O-N 2.9Å; F118-G122 CarbonylContact O-C 3.47Å; F118-G122 VanDerWaalsContact O-CA 3.23Å; F118-G122 WeakPolarHBondContact O-CA 3.28Å; F118-G122 PolarHBondContact O-N 3.12Å; F118-V123 HydrophobicContact CD2-CG2 4.12Å; F118-V123 HydrophobicContact CE1-CG2 4.42Å; F118-V123 HydrophobicContact CE2-CG2 3.43Å; F118-V123 VanDerWaalsContact CE2-CG2 3.43Å; F118-V123 HydrophobicContact CZ-CG2 3.63Å; F118-V123 PolarHBondContact O-N 2.95Å
119	C	72.5	Confident	65.2	Low	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-62.1	-45.1	174	-160.9	0	0	0	0	111.5	F96 I114 C115 K116 V123 K124 C142	F96-C119 HydrophobicContact CE2-CB 4.36Å; F96-C119 VanDerWaalsContact CE2-SG 3.59Å; I114-C119 HydrophobicContact CG2-CB 3.97Å; C115-C119 PolarHBondContact O-N 3.29Å; K116-C119 WeakPolarHBondContact O-CB 3.21Å; K116-C119 PolarHBondContact O-N 2.71Å; K116-C119 VanDerWaalsContact O-N 3.15Å; C119-V123 WeakPolarHBondContact O-CB 3.39Å; C119-V123 PolarHBondContact O-N 3.21Å; C119-K124 PolarHBondContact O-N 3.12Å; C119-C142 HydrophobicContact CB-CB 3.69Å; C119-C142 WeakPolarHBondContact CB-SG 3.47Å; C119-C142 PolarHBondContact O-SG 2.93Å; C119-C142 VanDerWaalsContact O-SG 3.34Å; C119-C142 WeakPolarHBondContact SG-CA 3.26Å; C119-C142 WeakPolarHBondContact SG-CB 3.38Å; C119-C142 PolarHBondContact SG-N 2.8Å; C119-C142 VanDerWaalsContact SG-N 3.42Å; C119-C142 CovalentContact SG-SG 2.03Å; C119-C142 PolarHBondContact SG-SG 3.12Å
120	E	70	Confident	66.3	Low	51 Å²	51	44.7 Å²	44.7	24%	0.238	24%	0.235	C	C	.	.	I	π-helix	trans	-70.2	-67.1	179.3	-66.1	175.7	142	0	0	111.7	K116 P117 K124 C142	K116-E120 WeakPolarHBondContact CE-OE1 3.36Å; K116-E120 HydrophobicContact CG-CG 4.24Å; K116-E120 WeakPolarHBondContact CG-OE2 3.34Å; K116-E120 IonicContact NZ-OE1 3.43Å; K116-E120 WeakPolarHBondContact O-CG 3.05Å; K116-E120 PolarHBondContact O-N 3.25Å; P117-E120 PolarHBondContact O-N 3.32Å; E120-K124 WeakPolarHBondContact O-CB 3.06Å; E120-K124 PolarHBondContact O-N 2.86Å; E120-C142 HydrophobicContact CG-CB 4.1Å
121	A	64.4	Low	67.3	Low	32 Å²	32	42.6 Å²	42.6	26%	0.264	21%	0.212	S	C	.	.	I	π-helix	trans	-87	-14.7	-169.7	0	0	0	0	0	115.3	P117 M169	P117-A121 PolarHBondContact O-N 2.88Å; A121-M169 HydrophobicContact CB-CE 3.96Å; A121-M169 HydrophobicContact CB-SD 4.17Å
122	G	66	Low	68.2	Low	2 Å²	2	43.6 Å²	43.6	2%	0.021	22%	0.216	C	C	.	.	I	π-helix	trans	-99.3	-40.3	176.1	0	0	0	0	0	112.8	H90 F118 S126	H90-G122 PolarHBondContact CD2-O 2.87Å; F118-G122 CarbonylContact O-C 3.47Å; F118-G122 VanDerWaalsContact O-CA 3.23Å; F118-G122 WeakPolarHBondContact O-CA 3.28Å; F118-G122 PolarHBondContact O-N 3.12Å; G122-S126 WeakPolarHBondContact O-CB 3.43Å; G122-S126 PolarHBondContact O-OG 3.49Å
123	V	70.9	Confident	68.7	Low	1 Å²	1	47.4 Å²	47.4	1%	0.006	24%	0.236	C	C	.	.	I	π-helix	trans	-102.3	-44.8	-169.2	179.2	0	0	0	0	112.9	F96 F118 C119 C127 W128 L131	F96-V123 HydrophobicContact CB-CG2 4.3Å; F96-V123 HydrophobicContact CD1-CG1 3.84Å; F96-V123 HydrophobicContact CD1-CG2 4.16Å; F96-V123 HydrophobicContact CD2-CG2 4.07Å; F96-V123 HydrophobicContact CE1-CG1 3.51Å; F96-V123 HydrophobicContact CE1-CG2 4.48Å; F96-V123 HydrophobicContact CE2-CG1 4.4Å; F96-V123 HydrophobicContact CE2-CG2 4.43Å; F96-V123 HydrophobicContact CG-CG1 4.39Å; F96-V123 HydrophobicContact CG-CG2 3.93Å; F96-V123 HydrophobicContact CZ-CG1 3.83Å; F118-V123 HydrophobicContact CD2-CG2 4.12Å; F118-V123 HydrophobicContact CE1-CG2 4.42Å; F118-V123 HydrophobicContact CE2-CG2 3.43Å; F118-V123 VanDerWaalsContact CE2-CG2 3.43Å; F118-V123 HydrophobicContact CZ-CG2 3.63Å; F118-V123 PolarHBondContact O-N 2.95Å; C119-V123 WeakPolarHBondContact O-CB 3.39Å; C119-V123 PolarHBondContact O-N 3.21Å; V123-C127 HydrophobicContact CG1-CB 4.26Å; V123-C127 WeakPolarHBondContact O-CA 3.2Å; V123-C127 WeakPolarHBondContact O-CB 3.4Å; V123-C127 PolarHBondContact O-N 2.03Å; V123-W128 PolarHBondContact O-N 3.25Å; V123-L131 HydrophobicContact CG1-CD1 3.22Å
124	K	72.6	Confident	69	Low	58 Å²	58	46.5 Å²	46.5	25%	0.252	23%	0.23	S	C	.	.	I	π-helix	trans	-66.3	-40.4	172.4	-66.4	-173	170	179.9	0	111.5	C119 E120 S126 W128 D140	C119-K124 PolarHBondContact O-N 3.12Å; E120-K124 WeakPolarHBondContact O-CB 3.06Å; E120-K124 PolarHBondContact O-N 2.86Å; K124-S126 VanDerWaalsContact C-N 3.33Å; K124-S126 PolarHBondContact O-N 2.9Å; K124-W128 HydrophobicContact CB-CE3 4.4Å; K124-W128 HydrophobicContact CD-CE3 4.5Å; K124-W128 HydrophobicContact CD-CZ3 4.37Å; K124-W128 HydrophobicContact CG-CE3 3.84Å; K124-W128 HydrophobicContact CG-CZ3 4.06Å; K124-W128 WeakPolarHBondContact O-CB 3.48Å; K124-D140 WeakPolarHBondContact CE-OD1 3.42Å; K124-D140 IonicContact NZ-OD1 3.48Å; K124-D140 PolarHBondContact NZ-OD1 3.16Å; K124-D140 IonicContact NZ-OD2 2.68Å; K124-D140 PolarHBondContact NZ-OD2 3.3Å
125	D	69.4	Low	68.9	Low	126 Å²	126	50 Å²	50	67%	0.674	25%	0.246	S	C	*	.	H	α-helix	trans	-72	-22.7	-178.1	-69.6	-9.2	0	0	0	114.3
126	S	72.1	Confident	68.8	Low	62 Å²	62	49.8 Å²	49.8	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-120.7	-24.4	-172.9	-51.7	0	0	0	0	115.7	C89 G122 K124	C89-S126 WeakPolarHBondContact O-CB 3.24Å; G122-S126 WeakPolarHBondContact O-CB 3.43Å; G122-S126 PolarHBondContact O-OG 3.49Å; K124-S126 VanDerWaalsContact C-N 3.33Å; K124-S126 PolarHBondContact O-N 2.9Å
127	C	74.6	Confident	68.5	Low	2 Å²	2	48.2 Å²	48.2	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-122.9	-0.5	-171.9	-61.8	0	0	0	0	114	C89 I93 V123 E129 L130 L131	C89-C127 HydrophobicContact CB-CB 4.09Å; C89-C127 WeakPolarHBondContact CB-SG 3.05Å; C89-C127 WeakPolarHBondContact SG-CB 3.48Å; C89-C127 CovalentContact SG-SG 2.04Å; C89-C127 PolarHBondContact SG-SG 3.13Å; I93-C127 HydrophobicContact CD1-CB 4.32Å; V123-C127 HydrophobicContact CG1-CB 4.26Å; V123-C127 WeakPolarHBondContact O-CA 3.2Å; V123-C127 WeakPolarHBondContact O-CB 3.4Å; V123-C127 PolarHBondContact O-N 2.03Å; C127-E129 VanDerWaalsContact C-N 3.31Å; C127-E129 PolarHBondContact O-N 2.73Å; C127-L130 PolarHBondContact O-N 3.07Å; C127-L130 VanDerWaalsContact O-N 3.08Å; C127-L131 HydrophobicContact CB-CD1 3.81Å; C127-L131 PolarHBondContact O-N 3.09Å
128	W	73.1	Confident	68.4	Low	97 Å²	97	54.9 Å²	54.9	37%	0.367	27%	0.265	S	S	.	.	H	α-helix	trans	-60.6	-35.1	-170.6	-172.8	-111.6	0	0	0	114.6	V123 K124 L130 L131 R132	V123-W128 PolarHBondContact O-N 3.25Å; K124-W128 HydrophobicContact CB-CE3 4.4Å; K124-W128 HydrophobicContact CD-CE3 4.5Å; K124-W128 HydrophobicContact CD-CZ3 4.37Å; K124-W128 HydrophobicContact CG-CE3 3.84Å; K124-W128 HydrophobicContact CG-CZ3 4.06Å; K124-W128 WeakPolarHBondContact O-CB 3.48Å; W128-L130 PolarHBondContact O-N 2.83Å; W128-L131 HydrophobicContact CE3-CB 4.38Å; W128-L131 PolarHBondContact O-N 3.01Å; W128-L131 VanDerWaalsContact O-N 3.15Å; W128-R132 WeakPolarHBondContact O-CB 3.47Å; W128-R132 WeakPolarHBondContact O-CG 3.43Å; W128-R132 PolarHBondContact O-N 2.92Å
129	E	70	Confident	68.2	Low	117 Å²	117	58 Å²	58	55%	0.547	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-28.7	176.4	-80.5	-59.7	121.6	0	0	113.9	C127 R132	C127-E129 VanDerWaalsContact C-N 3.31Å; C127-E129 PolarHBondContact O-N 2.73Å; E129-R132 VanDerWaalsContact CD-NE 3.28Å; E129-R132 IonicContact OE1-CZ 3.86Å; E129-R132 IonicContact OE1-NE 2.99Å; E129-R132 PolarHBondContact OE1-NE 2.8Å; E129-R132 VanDerWaalsContact OE1-NE 3.1Å; E129-R132 IonicContact OE1-NH2 3.94Å; E129-R132 IonicContact OE2-CZ 2.68Å; E129-R132 IonicContact OE2-NE 3.77Å; E129-R132 PolarHBondContact OE2-NE 3.44Å; E129-R132 IonicContact OE2-NH2 2.68Å; E129-R132 PolarHBondContact OE2-NH2 3.47Å
130	L	67.7	Low	67.8	Low	52 Å²	52	60.4 Å²	60.4	27%	0.272	29%	0.291	S	S	.	.	H	α-helix	trans	-85.7	-42.6	172	-63.4	167.3	0	0	0	110.7	Q87 C127 W128 R132 L133	Q87-L130 HydrophobicContact CB-CD1 3.63Å; Q87-L130 HydrophobicContact CG-CD1 3.73Å; Q87-L130 HydrophobicContact CG-CD2 4.36Å; C127-L130 PolarHBondContact O-N 3.07Å; C127-L130 VanDerWaalsContact O-N 3.08Å; W128-L130 PolarHBondContact O-N 2.83Å; L130-R132 PolarHBondContact O-N 3.15Å; L130-L133 WeakPolarHBondContact O-CB 3.19Å; L130-L133 PolarHBondContact O-N 2.99Å
131	L	68.6	Low	67.4	Low	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-34.2	-176.3	-78.7	158.1	0	0	0	113.9	M84 F96 V123 C127 W128 L133 T134 I136 G137	M84-L131 HydrophobicContact CE-CD2 4.18Å; M84-L131 HydrophobicContact SD-CD2 3.32Å; M84-L131 WeakPolarHBondContact SD-CD2 3.37Å; M84-L131 HydrophobicContact SD-CG 3.79Å; F96-L131 HydrophobicContact CE1-CD1 4.34Å; F96-L131 HydrophobicContact CE1-CD2 4.1Å; V123-L131 HydrophobicContact CG1-CD1 3.22Å; C127-L131 HydrophobicContact CB-CD1 3.81Å; C127-L131 PolarHBondContact O-N 3.09Å; W128-L131 HydrophobicContact CE3-CB 4.38Å; W128-L131 PolarHBondContact O-N 3.01Å; W128-L131 VanDerWaalsContact O-N 3.15Å; L131-L133 PolarHBondContact O-N 2.81Å; L131-T134 PolarHBondContact O-N 2.75Å; L131-T134 PolarHBondContact O-OG1 3.45Å; L131-I136 HydrophobicContact CD2-CB 3.71Å; L131-I136 HydrophobicContact CD2-CD1 4.17Å; L131-I136 HydrophobicContact CD2-CG2 3.47Å; L131-I136 VanDerWaalsContact CD2-CG2 3.47Å; L131-G137 WeakPolarHBondContact O-CA 3.24Å; L131-G137 PolarHBondContact O-N 3.28Å
132	R	70.6	Confident	67.5	Low	136 Å²	136	57 Å²	57	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.8	177.1	71.1	-174.8	-175.2	122.5	-9.4	113.3	W128 E129 L130 T134	W128-R132 WeakPolarHBondContact O-CB 3.47Å; W128-R132 WeakPolarHBondContact O-CG 3.43Å; W128-R132 PolarHBondContact O-N 2.92Å; E129-R132 VanDerWaalsContact CD-NE 3.28Å; E129-R132 IonicContact OE1-CZ 3.86Å; E129-R132 IonicContact OE1-NE 2.99Å; E129-R132 PolarHBondContact OE1-NE 2.8Å; E129-R132 VanDerWaalsContact OE1-NE 3.1Å; E129-R132 IonicContact OE1-NH2 3.94Å; E129-R132 IonicContact OE2-CZ 2.68Å; E129-R132 IonicContact OE2-NE 3.77Å; E129-R132 PolarHBondContact OE2-NE 3.44Å; E129-R132 IonicContact OE2-NH2 2.68Å; E129-R132 PolarHBondContact OE2-NH2 3.47Å; L130-R132 PolarHBondContact O-N 3.15Å; R132-T134 VanDerWaalsContact C-N 3.26Å
133	L	64.9	Low	67.3	Low	128 Å²	128	60.1 Å²	60.1	67%	0.67	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	6.4	175	-54.4	176	0	0	0	112.9	L130 L131	L130-L133 WeakPolarHBondContact O-CB 3.19Å; L130-L133 PolarHBondContact O-N 2.99Å; L131-L133 PolarHBondContact O-N 2.81Å
134	T	64.6	Low	66.8	Low	11 Å²	11	62.8 Å²	62.8	7%	0.067	31%	0.305	C	S	.	.	S	Bend	trans	-129	159.9	-177.3	71.6	0	0	0	0	111.4	F80 L131 R132 I136 G137 R138	F80-T134 HydrophobicContact CB-CG2 4.04Å; F80-T134 HydrophobicContact CD1-CG2 3.95Å; F80-T134 HydrophobicContact CG-CG2 4.17Å; L131-T134 PolarHBondContact O-N 2.75Å; L131-T134 PolarHBondContact O-OG1 3.45Å; R132-T134 VanDerWaalsContact C-N 3.26Å; T134-I136 PolarHBondContact O-N 3.25Å; T134-I136 VanDerWaalsContact OG1-CB 3.32Å; T134-I136 WeakPolarHBondContact OG1-CB 3.47Å; T134-I136 PolarHBondContact OG1-N 3.11Å; T134-G137 PolarHBondContact O-N 2.9Å; T134-G137 VanDerWaalsContact O-N 3.16Å; T134-R138 PolarHBondContact O-N 2.76Å
135	E	63.9	Low	66.1	Low	81 Å²	81	68.1 Å²	68.1	38%	0.379	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-20.8	172.6	-56.8	-172.6	151.8	0	0	113.7	Y68 R138 K139	Y68-E135 WeakPolarHBondContact CE1-OE2 3.45Å; Y68-E135 VanDerWaalsContact CZ-OE2 3.22Å; Y68-E135 PolarHBondContact OH-OE2 3.07Å; E135-R138 PolarHBondContact O-N 2.77Å; E135-K139 PolarHBondContact O-N 2.04Å
136	I	63.9	Low	65.3	Low	7 Å²	7	66.6 Å²	66.6	4%	0.036	33%	0.329	C	S	.	.	H	α-helix	trans	-68	-43.8	179.7	-47.4	171.9	0	0	0	110.6	L66 F81 M84 F96 L100 L131 T134 L141	L66-I136 HydrophobicContact CD1-CG1 4.16Å; L66-I136 HydrophobicContact CD2-CB 4.25Å; L66-I136 HydrophobicContact CD2-CG1 3.92Å; F81-I136 HydrophobicContact CD1-CD1 4.22Å; F81-I136 HydrophobicContact CE1-CD1 3.63Å; F81-I136 HydrophobicContact CE2-CD1 4.43Å; F81-I136 HydrophobicContact CZ-CD1 3.77Å; F81-I136 HydrophobicContact CZ-CG1 4.38Å; M84-I136 HydrophobicContact CE-CD1 3.37Å; M84-I136 HydrophobicContact SD-CD1 4Å; F96-I136 HydrophobicContact CE1-CG2 4.19Å; F96-I136 HydrophobicContact CZ-CG2 4.43Å; L100-I136 HydrophobicContact CD1-CD1 4.04Å; L100-I136 HydrophobicContact CD1-CG1 4.42Å; L100-I136 HydrophobicContact CD1-CG2 3.42Å; L100-I136 VanDerWaalsContact CD1-CG2 3.42Å; L100-I136 HydrophobicContact CD2-CG2 3.83Å; L100-I136 HydrophobicContact CG-CG2 4.29Å; L131-I136 HydrophobicContact CD2-CB 3.71Å; L131-I136 HydrophobicContact CD2-CD1 4.17Å; L131-I136 HydrophobicContact CD2-CG2 3.47Å; L131-I136 VanDerWaalsContact CD2-CG2 3.47Å; T134-I136 PolarHBondContact O-N 3.25Å; T134-I136 VanDerWaalsContact OG1-CB 3.32Å; T134-I136 WeakPolarHBondContact OG1-CB 3.47Å; T134-I136 PolarHBondContact OG1-N 3.11Å; I136-L141 HydrophobicContact CB-CD1 4.49Å; I136-L141 HydrophobicContact CG2-CD1 3.83Å
137	G	64.2	Low	64.6	Low	9 Å²	9	64.3 Å²	64.3	9%	0.093	31%	0.314	C	S	.	.	H	α-helix	trans	-67.9	-43.1	173.7	0	0	0	0	0	111.8	L131 T134 K139 D140	L131-G137 WeakPolarHBondContact O-CA 3.24Å; L131-G137 PolarHBondContact O-N 3.28Å; T134-G137 PolarHBondContact O-N 2.9Å; T134-G137 VanDerWaalsContact O-N 3.16Å; G137-K139 PolarHBondContact O-N 3.13Å; G137-K139 VanDerWaalsContact O-N 3.14Å; G137-D140 PolarHBondContact O-N 2.71Å
138	R	62.5	Low	63.9	Low	144 Å²	144	66.7 Å²	66.7	54%	0.543	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-23.7	179.5	-73.4	-175.9	170.3	-168.5	-7.4	114.4	T134 E135 Q593	T134-R138 PolarHBondContact O-N 2.76Å; E135-R138 PolarHBondContact O-N 2.77Å; R138-Q593 VanDerWaalsContact NH2-OE1 3.15Å
139	K	65.3	Low	63.1	Low	99 Å²	99	65.4 Å²	65.4	43%	0.43	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.7	-178.9	-69.1	-179.4	-177.9	171.5	0	114.7	L66 E135 G137 L141	L66-K139 HydrophobicContact CD2-CD 4.44Å; L66-K139 PolarHBondContact O-NZ 2.89Å; E135-K139 PolarHBondContact O-N 2.04Å; G137-K139 PolarHBondContact O-N 3.13Å; G137-K139 VanDerWaalsContact O-N 3.14Å; K139-L141 HydrophobicContact CB-CD1 4.21Å; K139-L141 HydrophobicContact CB-CD2 3.71Å; K139-L141 HydrophobicContact CB-CG 3.84Å; K139-L141 PolarHBondContact O-N 2.78Å
140	D	65	Low	62.3	Low	50 Å²	50	60.5 Å²	60.5	27%	0.267	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	26.7	67	-172.6	-170.9	14.1	0	0	0	114.3	K124 G137 C142 S143	K124-D140 WeakPolarHBondContact CE-OD1 3.42Å; K124-D140 IonicContact NZ-OD1 3.48Å; K124-D140 PolarHBondContact NZ-OD1 3.16Å; K124-D140 IonicContact NZ-OD2 2.68Å; K124-D140 PolarHBondContact NZ-OD2 3.3Å; G137-D140 PolarHBondContact O-N 2.71Å; D140-C142 PolarHBondContact O-N 2.96Å; D140-S143 WeakPolarHBondContact O-CB 3.31Å; D140-S143 PolarHBondContact O-N 3.2Å; D140-S143 WeakPolarHBondContact OD2-CB 3.01Å; D140-S143 PolarHBondContact OD2-OG 2.59Å
141	L	62	Low	61.5	Low	7 Å²	7	62.9 Å²	62.9	4%	0.037	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.9	-166.7	-60.9	160.1	0	0	0	113.1	Y65 L66 L100 I136 K139 S143 L144	Y65-L141 WeakPolarHBondContact O-CD2 3.28Å; L66-L141 HydrophobicContact CD2-CD1 3.44Å; L66-L141 VanDerWaalsContact CD2-CD1 3.44Å; L66-L141 HydrophobicContact CG-CD1 4.17Å; L100-L141 HydrophobicContact CD2-CB 4.04Å; L100-L141 HydrophobicContact CD2-CD1 3.4Å; L100-L141 HydrophobicContact CD2-CG 4.31Å; I136-L141 HydrophobicContact CB-CD1 4.49Å; I136-L141 HydrophobicContact CG2-CD1 3.83Å; K139-L141 HydrophobicContact CB-CD1 4.21Å; K139-L141 HydrophobicContact CB-CD2 3.71Å; K139-L141 HydrophobicContact CB-CG 3.84Å; K139-L141 PolarHBondContact O-N 2.78Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-L144 HydrophobicContact CB-CD1 4.23Å; L141-L144 HydrophobicContact CD2-CD1 3.6Å; L141-L144 HydrophobicContact CD2-CG 4.14Å
142	C	65.3	Low	61	Low	5 Å²	5	67.7 Å²	67.7	3%	0.034	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-20.1	168	-49.5	0	0	0	0	112.8	K116 C119 E120 D140	K116-C142 WeakPolarHBondContact CD-O 3.39Å; K116-C142 VanDerWaalsContact CE-O 3.24Å; K116-C142 WeakPolarHBondContact CE-O 3.23Å; K116-C142 PolarHBondContact NZ-O 2.66Å; C119-C142 HydrophobicContact CB-CB 3.69Å; C119-C142 WeakPolarHBondContact CB-SG 3.47Å; C119-C142 PolarHBondContact O-SG 2.93Å; C119-C142 VanDerWaalsContact O-SG 3.34Å; C119-C142 WeakPolarHBondContact SG-CA 3.26Å; C119-C142 WeakPolarHBondContact SG-CB 3.38Å; C119-C142 PolarHBondContact SG-N 2.8Å; C119-C142 VanDerWaalsContact SG-N 3.42Å; C119-C142 CovalentContact SG-SG 2.03Å; C119-C142 PolarHBondContact SG-SG 3.12Å; E120-C142 HydrophobicContact CG-CB 4.1Å; D140-C142 PolarHBondContact O-N 2.96Å
143	S	62.5	Low	60.4	Low	67 Å²	67	61.4 Å²	61.4	47%	0.469	32%	0.316	S	S	.	.	S	Bend	trans	-94.2	1	179	-65.7	0	0	0	0	113.6	D140 L141	D140-S143 WeakPolarHBondContact O-CB 3.31Å; D140-S143 PolarHBondContact O-N 3.2Å; D140-S143 WeakPolarHBondContact OD2-CB 3.01Å; D140-S143 PolarHBondContact OD2-OG 2.59Å; L141-S143 VanDerWaalsContact C-N 3.31Å
144	L	60.3	Low	60	Low	56 Å²	56	57 Å²	57	29%	0.293	30%	0.296	S	S	.	.			trans	-63.6	132.6	171.8	-74.4	175.9	0	0	0	112.1	Y65 L141 N146 A147	Y65-L144 HydrophobicContact CD1-CD1 3.89Å; Y65-L144 HydrophobicContact CE1-CD1 4.48Å; Y65-L144 HydrophobicContact CG-CD1 4.5Å; L141-L144 HydrophobicContact CB-CD1 4.23Å; L141-L144 HydrophobicContact CD2-CD1 3.6Å; L141-L144 HydrophobicContact CD2-CG 4.14Å; L144-N146 PolarHBondContact O-N 3.07Å; L144-A147 VanDerWaalsContact O-CB 3.31Å; L144-A147 WeakPolarHBondContact O-CB 3.45Å; L144-A147 PolarHBondContact O-N 2.88Å
145	D	57.1	Low	59.8	Low	170 Å²	170	63 Å²	63	91%	0.909	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.8	174.5	-71.6	-44.4	0	0	0	114.3
146	N	54	Low	59.7	Low	95 Å²	95	61.5 Å²	61.5	51%	0.508	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.6	178.7	-68.4	-48.7	0	0	0	113.6	Y65 P113 L144	Y65-N146 HydrophobicContact CE1-CB 4.16Å; P113-N146 WeakPolarHBondContact CB-O 3.03Å; L144-N146 PolarHBondContact O-N 3.07Å
147	A	56.8	Low	59.8	Low	14 Å²	14	62.4 Å²	62.4	12%	0.116	32%	0.324	C	S	.	.			trans	-70.6	131.6	179.6	0	0	0	0	0	110.6	I114 K116 L144	I114-A147 CarbonylContact O-C 3.6Å; I114-A147 VanDerWaalsContact O-CA 3.26Å; I114-A147 WeakPolarHBondContact O-CA 3.45Å; K116-A147 HydrophobicContact CB-CB 3.77Å; K116-A147 HydrophobicContact CD-CB 4.29Å; K116-A147 HydrophobicContact CG-CB 4.32Å; L144-A147 VanDerWaalsContact O-CB 3.31Å; L144-A147 WeakPolarHBondContact O-CB 3.45Å; L144-A147 PolarHBondContact O-N 2.88Å
148	N	59.4	Low	60.2	Low	52 Å²	52	64.3 Å²	64.3	28%	0.278	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-114.1	137.9	-155.7	-163.9	4.5	0	0	0	113.1	P113 I114 C115 K116 G150 C153	P113-N148 HydrophobicContact CB-CB 3.95Å; P113-N148 HydrophobicContact CG-CB 4.01Å; I114-N148 PolarHBondContact O-N 2.03Å; C115-N148 WeakPolarHBondContact CA-O 3.36Å; K116-N148 PolarHBondContact N-O 2.9Å; N148-G150 WeakPolarHBondContact OD1-CA 3.37Å; N148-G150 PolarHBondContact OD1-N 2.84Å; N148-C153 PolarHBondContact O-SG 3.13Å; N148-C153 VanDerWaalsContact O-SG 3.39Å
149	Y	55.7	Low	60.8	Low	69 Å²	69	63.8 Å²	63.8	27%	0.271	35%	0.354	S	S	.	.			trans	-95	0.4	166.8	-63	-85.2	0	0	0	112.4	K116 P117 T167	K116-Y149 HydrophobicContact CB-CE1 4.34Å; K116-Y149 HydrophobicContact CB-CE2 4.21Å; K116-Y149 HydrophobicContact CD-CE2 3.93Å; K116-Y149 WeakPolarHBondContact CD-OH 3.42Å; K116-Y149 WeakPolarHBondContact CE-OH 3.35Å; K116-Y149 HydrophobicContact CG-CE1 4.46Å; K116-Y149 HydrophobicContact CG-CE2 4.31Å; P117-Y149 HydrophobicContact CG-CD1 3.53Å; P117-Y149 HydrophobicContact CG-CE1 3.67Å; Y149-T167 HydrophobicContact CD1-CG2 3.92Å; Y149-T167 HydrophobicContact CE1-CG2 4.2Å
150	G	54.2	Low	61.6	Low	14 Å²	14	62.3 Å²	62.3	14%	0.144	36%	0.356	C	S	.	.	S	Bend	trans	-73.8	170.2	-166	0	0	0	0	0	116.4	N148 R152 C153	N148-G150 WeakPolarHBondContact OD1-CA 3.37Å; N148-G150 PolarHBondContact OD1-N 2.84Å; G150-R152 PolarHBondContact O-N 3.18Å; G150-C153 PolarHBondContact O-N 3.14Å; G150-C153 VanDerWaalsContact O-N 3.08Å
151	P	50.2	Low	62.4	Low	103 Å²	103	61.6 Å²	61.6	67%	0.669	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	5.3	-168.1	28.6	-37.8	0	0	0	116.4	S154	P151-S154 PolarHBondContact O-OG 2.93Å
152	R	58	Low	63.5	Low	104 Å²	104	63.3 Å²	63.3	39%	0.392	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-22.4	173.4	-70.8	176.8	166.1	-132.7	-12	112.8	G110 R111 I112 G150 S154 Q155	G110-R152 VanDerWaalsContact C-NH1 3.26Å; G110-R152 PolarHBondContact O-NH1 3.44Å; R111-R152 PolarHBondContact O-NH1 3.19Å; I112-R152 HydrophobicContact CD1-CB 4.3Å; I112-R152 HydrophobicContact CG1-CB 4.17Å; I112-R152 HydrophobicContact CG2-CB 3.99Å; G150-R152 PolarHBondContact O-N 3.18Å; R152-S154 VanDerWaalsContact C-N 3.27Å; R152-S154 PolarHBondContact O-N 2.03Å; R152-Q155 WeakPolarHBondContact O-CB 3.34Å; R152-Q155 WeakPolarHBondContact O-CG 3.36Å; R152-Q155 PolarHBondContact O-N 2.8Å; R152-Q155 VanDerWaalsContact O-N 3.11Å
153	C	58.8	Low	64.4	Low	5 Å²	5	66.4 Å²	66.4	3%	0.034	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-63.6	-32.8	179.3	-72.6	0	0	0	0	113.2	C115 N148 G150 Q155 K168	C115-C153 VanDerWaalsContact CA-SG 3.54Å; C115-C153 HydrophobicContact CB-CB 3.81Å; C115-C153 WeakPolarHBondContact CB-SG 3.42Å; C115-C153 WeakPolarHBondContact SG-CA 3.26Å; C115-C153 WeakPolarHBondContact SG-CB 3.47Å; C115-C153 CovalentContact SG-SG 2.03Å; C115-C153 PolarHBondContact SG-SG 3.13Å; N148-C153 PolarHBondContact O-SG 3.13Å; N148-C153 VanDerWaalsContact O-SG 3.39Å; G150-C153 PolarHBondContact O-N 3.14Å; G150-C153 VanDerWaalsContact O-N 3.08Å; C153-Q155 PolarHBondContact O-N 2.77Å; C153-K168 HydrophobicContact CB-CB 3.87Å
154	S	56.8	Low	65.4	Low	35 Å²	35	63.2 Å²	63.2	25%	0.245	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-69.5	1.8	174.7	48.9	0	0	0	0	115.1	P151 R152 I163	P151-S154 PolarHBondContact O-OG 2.93Å; R152-S154 VanDerWaalsContact C-N 3.27Å; R152-S154 PolarHBondContact O-N 2.03Å; S154-I163 VanDerWaalsContact CB-CG2 3.47Å
155	Q	59.4	Low	66.4	Low	138 Å²	138	63.5 Å²	63.5	65%	0.645	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-86	-5.5	178.2	-62	-171.6	-55.3	0	0	113.7	R152 C153	R152-Q155 WeakPolarHBondContact O-CB 3.34Å; R152-Q155 WeakPolarHBondContact O-CG 3.36Å; R152-Q155 PolarHBondContact O-N 2.8Å; R152-Q155 VanDerWaalsContact O-N 3.11Å; C153-Q155 PolarHBondContact O-N 2.77Å
156	I	62.3	Low	67.1	Low	49 Å²	49	58.5 Å²	58.5	25%	0.251	33%	0.333	S	S	.	.	S	Bend	trans	-104.8	-9.7	-173.5	-55.8	167.7	0	0	0	112	H92 Y95	H92-I156 PolarHBondContact CE1-O 3.46Å; Y95-I156 HydrophobicContact CD1-CG2 3.74Å; Y95-I156 HydrophobicContact CD2-CG2 4.44Å; Y95-I156 HydrophobicContact CE1-CG2 3.85Å; Y95-I156 HydrophobicContact CG-CG2 4.05Å
157	C	66.1	Low	67.7	Low	26 Å²	26	54 Å²	54	18%	0.176	31%	0.309	C	S	.	.			trans	-68.9	146.4	-177	-50.1	0	0	0	0	113	D161 I163 C170	C157-D161 HydrophobicContact CB-CB 4.2Å; C157-I163 HydrophobicContact CB-CD1 4.09Å; C157-I163 HydrophobicContact CB-CG1 4.16Å; C157-C170 WeakPolarHBondContact CA-SG 3.5Å; C157-C170 HydrophobicContact CB-CB 3.64Å; C157-C170 WeakPolarHBondContact CB-SG 3.08Å; C157-C170 PolarHBondContact N-SG 2.98Å; C157-C170 WeakPolarHBondContact SG-CB 3.09Å; C157-C170 CovalentContact SG-SG 2.03Å; C157-C170 PolarHBondContact SG-SG 3.39Å
158	S	71.9	Confident	68.6	Low	48 Å²	48	55.8 Å²	55.8	34%	0.336	32%	0.315	S	S	.	.			trans	-67.8	157.5	166.1	173	0	0	0	0	110.4	S160 D161	S158-S160 VanDerWaalsContact CB-OG 3.31Å; S158-S160 WeakPolarHBondContact CB-OG 3.18Å; S158-S160 PolarHBondContact O-N 3.17Å; S158-S160 VanDerWaalsContact O-N 3.12Å; S158-S160 PolarHBondContact OG-N 3.27Å; S158-S160 PolarHBondContact OG-OG 3.14Å; S158-D161 VanDerWaalsContact CB-OD2 3.32Å; S158-D161 WeakPolarHBondContact CB-OD2 3.37Å; S158-D161 PolarHBondContact N-OD2 2.78Å; S158-D161 PolarHBondContact O-N 2.8Å; S158-D161 VanDerWaalsContact O-N 3.08Å
159	S	76.3	Confident	69	Low	134 Å²	134	54.4 Å²	54.4	94%	0.937	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.6	175.2	56.3	0	0	0	0	114
160	S	81.3	Confident	70	Confident	67 Å²	67	52.6 Å²	52.6	47%	0.469	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.9	171.9	47.6	0	0	0	0	114.8	S158	S158-S160 VanDerWaalsContact CB-OG 3.31Å; S158-S160 WeakPolarHBondContact CB-OG 3.18Å; S158-S160 PolarHBondContact O-N 3.17Å; S158-S160 VanDerWaalsContact O-N 3.12Å; S158-S160 PolarHBondContact OG-N 3.27Å; S158-S160 PolarHBondContact OG-OG 3.14Å
161	D	82.9	Confident	71.2	Confident	35 Å²	35	52.2 Å²	52.2	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.5	-159.6	-53.4	-12.8	0	0	0	111.3	C157 S158 C170 I171	C157-D161 HydrophobicContact CB-CB 4.2Å; S158-D161 VanDerWaalsContact CB-OD2 3.32Å; S158-D161 WeakPolarHBondContact CB-OD2 3.37Å; S158-D161 PolarHBondContact N-OD2 2.78Å; S158-D161 PolarHBondContact O-N 2.8Å; S158-D161 VanDerWaalsContact O-N 3.08Å; D161-C170 HydrophobicContact CB-CB 4.12Å; D161-I171 CarbonylContact C-O 3.59Å; D161-I171 WeakPolarHBondContact CA-O 3.33Å
162	F	85.5	Confident	72.7	Confident	43 Å²	43	50.8 Å²	50.8	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.9	168.8	-178.9	-99.9	0	0	0	109.8	I171 R176 S189 D190	F162-I171 HydrophobicContact CB-CG1 3.9Å; F162-I171 HydrophobicContact CD1-CD1 3.99Å; F162-I171 HydrophobicContact CD1-CG1 4.02Å; F162-I171 HydrophobicContact CG-CG1 4.47Å; F162-I171 PolarHBondContact N-O 2.85Å; F162-I171 PolarHBondContact O-N 2.94Å; F162-R176 HydrophobicContact CG-CG 4.43Å; F162-S189 VanDerWaalsContact CE1-C 3.47Å; F162-S189 WeakPolarHBondContact CE1-O 3.25Å; F162-S189 WeakPolarHBondContact CZ-O 3.37Å; F162-D190 HydrophobicContact CE1-CB 4.49Å
163	I	84.3	Confident	73.9	Confident	70 Å²	70	52.2 Å²	52.2	36%	0.359	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.7	-179	-52.4	-174.6	0	0	0	109.6	S154 C157 M169	S154-I163 VanDerWaalsContact CB-CG2 3.47Å; C157-I163 HydrophobicContact CB-CD1 4.09Å; C157-I163 HydrophobicContact CB-CG1 4.16Å; I163-M169 WeakPolarHBondContact CA-O 3.42Å
164	C	82.4	Confident	75.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.329	C	S	.	.			trans	-58.9	133.1	178.2	-61.9	0	0	0	0	111.6	K166 T167 K168 M169 C183 D187	C164-K166 PolarHBondContact O-N 3.31Å; C164-T167 VanDerWaalsContact CB-OG1 3.27Å; C164-T167 WeakPolarHBondContact CB-OG1 3.1Å; C164-K168 VanDerWaalsContact O-CA 3.23Å; C164-K168 WeakPolarHBondContact O-CA 3.21Å; C164-K168 WeakPolarHBondContact O-CD 3.38Å; C164-K168 PolarHBondContact O-N 3.01Å; C164-K168 VanDerWaalsContact O-N 3.14Å; C164-M169 HydrophobicContact CB-CB 4.45Å; C164-M169 PolarHBondContact N-O 2.81Å; C164-M169 PolarHBondContact SG-O 3.43Å; C164-C183 HydrophobicContact CB-CB 3.61Å; C164-C183 WeakPolarHBondContact CB-SG 3.17Å; C164-C183 WeakPolarHBondContact SG-CA 3.15Å; C164-C183 WeakPolarHBondContact SG-CB 3.39Å; C164-C183 CovalentContact SG-SG 2.03Å; C164-C183 PolarHBondContact SG-SG 3.29Å; C164-D187 WeakPolarHBondContact CB-OD2 3.02Å
165	A	81	Confident	76.5	Confident	63 Å²	63	63.3 Å²	63.3	52%	0.521	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-20.6	-163.4	0	0	0	0	0	114.2	K168 D187 S189	A165-K168 WeakPolarHBondContact O-CE 3.49Å; A165-K168 PolarHBondContact O-NZ 2.89Å; A165-D187 PolarHBondContact N-OD2 2.68Å; A165-D187 VanDerWaalsContact N-OD2 3.14Å; A165-S189 WeakPolarHBondContact CA-OG 3.42Å; A165-S189 WeakPolarHBondContact CB-OG 2.93Å; A165-S189 VanDerWaalsContact N-CB 3.33Å; A165-S189 PolarHBondContact N-OG 2.7Å
166	K	71.9	Confident	77.8	Confident	64 Å²	64	60.4 Å²	60.4	28%	0.278	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-55.8	178.4	-162.7	-166	-161.4	-168.8	0	111.1	C164 K168 G186 D187 E220 E222	C164-K166 PolarHBondContact O-N 3.31Å; K166-K168 VanDerWaalsContact C-N 3.35Å; K166-G186 WeakPolarHBondContact CD-O 2.94Å; K166-G186 PolarHBondContact NZ-O 3.16Å; K166-D187 WeakPolarHBondContact CA-OD2 3.49Å; K166-D187 HydrophobicContact CB-CB 3.91Å; K166-D187 VanDerWaalsContact CB-CG 3.5Å; K166-D187 VanDerWaalsContact CB-OD2 3.32Å; K166-D187 WeakPolarHBondContact CB-OD2 3.45Å; K166-D187 HydrophobicContact CD-CB 4.48Å; K166-D187 PolarHBondContact N-OD2 2.99Å; K166-E220 WeakPolarHBondContact CE-OE2 3.16Å; K166-E220 IonicContact NZ-OE2 2.65Å; K166-E220 PolarHBondContact NZ-OE2 3.43Å; K166-E222 WeakPolarHBondContact CE-OE1 3.15Å; K166-E222 IonicContact NZ-OE1 3.41Å; K166-E222 PolarHBondContact NZ-OE1 2.03Å
167	T	67.9	Low	78.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.2	-177	53.4	0	0	0	0	113.6	P117 Y149 C164 M169 C183 D187	P117-T167 HydrophobicContact CG-CG2 4.08Å; Y149-T167 HydrophobicContact CD1-CG2 3.92Å; Y149-T167 HydrophobicContact CE1-CG2 4.2Å; C164-T167 VanDerWaalsContact CB-OG1 3.27Å; C164-T167 WeakPolarHBondContact CB-OG1 3.1Å; T167-M169 PolarHBondContact O-N 2.87Å; T167-C183 WeakPolarHBondContact CB-O 2.98Å; T167-C183 WeakPolarHBondContact CG2-O 3.39Å; T167-C183 PolarHBondContact OG1-O 3.29Å; T167-D187 HydrophobicContact CG2-CB 3.61Å; T167-D187 PolarHBondContact N-OD2 2.76Å; T167-D187 PolarHBondContact OG1-OD2 3.47Å; T167-D187 VanDerWaalsContact OG1-OD2 3.13Å
168	K	73.8	Confident	79.6	Confident	53 Å²	53	62.7 Å²	62.7	23%	0.23	34%	0.335	C	S	.	.			trans	61.6	17.8	-177.9	-53.8	-49.8	-168.3	-169	0	115	C153 C164 A165 K166	C153-K168 HydrophobicContact CB-CB 3.87Å; C164-K168 VanDerWaalsContact O-CA 3.23Å; C164-K168 WeakPolarHBondContact O-CA 3.21Å; C164-K168 WeakPolarHBondContact O-CD 3.38Å; C164-K168 PolarHBondContact O-N 3.01Å; C164-K168 VanDerWaalsContact O-N 3.14Å; A165-K168 WeakPolarHBondContact O-CE 3.49Å; A165-K168 PolarHBondContact O-NZ 2.89Å; K166-K168 VanDerWaalsContact C-N 3.35Å
169	M	68.7	Low	79.7	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.113	34%	0.339	C	S	.	.			trans	-69.2	149.6	172.5	-164.4	156.2	68.5	0	0	111.5	P117 A121 I163 C164 T167 I171 D182	P117-M169 HydrophobicContact CB-CB 3.92Å; P117-M169 HydrophobicContact CB-CE 4.37Å; P117-M169 HydrophobicContact CB-CG 4.17Å; P117-M169 HydrophobicContact CB-SD 3.5Å; P117-M169 WeakPolarHBondContact CB-SD 3.29Å; P117-M169 VanDerWaalsContact O-SD 3.32Å; A121-M169 HydrophobicContact CB-CE 3.96Å; A121-M169 HydrophobicContact CB-SD 4.17Å; I163-M169 WeakPolarHBondContact CA-O 3.42Å; C164-M169 HydrophobicContact CB-CB 4.45Å; C164-M169 PolarHBondContact N-O 2.81Å; C164-M169 PolarHBondContact SG-O 3.43Å; T167-M169 PolarHBondContact O-N 2.87Å; M169-I171 HydrophobicContact CE-CG2 4.26Å; M169-D182 WeakPolarHBondContact CE-O 3.3Å
170	C	75.8	Confident	79.6	Confident	31 Å²	31	62.2 Å²	62.2	21%	0.209	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.3	171.9	-37	0	0	0	0	108.3	C157 D161	C157-C170 WeakPolarHBondContact CA-SG 3.5Å; C157-C170 HydrophobicContact CB-CB 3.64Å; C157-C170 WeakPolarHBondContact CB-SG 3.08Å; C157-C170 PolarHBondContact N-SG 2.98Å; C157-C170 WeakPolarHBondContact SG-CB 3.09Å; C157-C170 CovalentContact SG-SG 2.03Å; C157-C170 PolarHBondContact SG-SG 3.39Å; D161-C170 HydrophobicContact CB-CB 4.12Å
171	I	80.5	Confident	79.3	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146	169.6	68.4	177.4	0	0	0	110	D161 F162 M169 E173 R175 D182 D190	D161-I171 CarbonylContact C-O 3.59Å; D161-I171 WeakPolarHBondContact CA-O 3.33Å; F162-I171 HydrophobicContact CB-CG1 3.9Å; F162-I171 HydrophobicContact CD1-CD1 3.99Å; F162-I171 HydrophobicContact CD1-CG1 4.02Å; F162-I171 HydrophobicContact CG-CG1 4.47Å; F162-I171 PolarHBondContact N-O 2.85Å; F162-I171 PolarHBondContact O-N 2.94Å; M169-I171 HydrophobicContact CE-CG2 4.26Å; I171-E173 PolarHBondContact O-N 2.8Å; I171-R175 HydrophobicContact CB-CB 4.27Å; I171-R175 HydrophobicContact CD1-CB 4.03Å; I171-R175 HydrophobicContact CG1-CB 4.36Å; I171-D182 HydrophobicContact CD1-CB 4.23Å; I171-D190 HydrophobicContact CD1-CB 3.79Å
172	D	81.6	Confident	79.1	Confident	72 Å²	72	61.8 Å²	61.8	39%	0.385	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	133.7	170.6	-176.8	-48.8	0	0	0	109.4	K174 R175	D172-K174 PolarHBondContact O-N 3.05Å; D172-K174 VanDerWaalsContact OD1-CB 3.28Å; D172-K174 WeakPolarHBondContact OD1-CB 3.45Å; D172-K174 WeakPolarHBondContact OD1-CG 3.49Å; D172-K174 PolarHBondContact OD1-N 3.11Å; D172-K174 IonicContact OD1-NZ 3.21Å; D172-K174 PolarHBondContact OD1-NZ 3.36Å; D172-K174 IonicContact OD2-NZ 3.39Å; D172-K174 PolarHBondContact OD2-NZ 3.37Å; D172-R175 HydrophobicContact CB-CG 4.48Å; D172-R175 WeakPolarHBondContact O-CB 3.21Å; D172-R175 PolarHBondContact O-N 2.68Å
173	E	83.5	Confident	78.8	Confident	135 Å²	135	59.7 Å²	59.7	63%	0.631	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-55.9	-21.7	-176.5	-168.8	173.1	-151.2	0	0	113.2	I171 R175 R176	I171-E173 PolarHBondContact O-N 2.8Å; E173-R175 VanDerWaalsContact C-N 3.31Å; E173-R175 PolarHBondContact O-N 3.04Å; E173-R176 WeakPolarHBondContact O-CB 3.14Å; E173-R176 PolarHBondContact O-N 2.03Å
174	K	83.6	Confident	78	Confident	165 Å²	165	56.7 Å²	56.7	72%	0.717	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.8	172.4	-60.7	173.2	-146.6	71.7	0	114.3	D172	D172-K174 PolarHBondContact O-N 3.05Å; D172-K174 VanDerWaalsContact OD1-CB 3.28Å; D172-K174 WeakPolarHBondContact OD1-CB 3.45Å; D172-K174 WeakPolarHBondContact OD1-CG 3.49Å; D172-K174 PolarHBondContact OD1-N 3.11Å; D172-K174 IonicContact OD1-NZ 3.21Å; D172-K174 PolarHBondContact OD1-NZ 3.36Å; D172-K174 IonicContact OD2-NZ 3.39Å; D172-K174 PolarHBondContact OD2-NZ 3.37Å
175	R	85.8	Confident	76.9	Confident	107 Å²	107	60.1 Å²	60.1	40%	0.404	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-79	-6.4	177.1	-67.1	-172.9	76.7	165.8	-0.2	112.5	I171 D172 E173 D182	I171-R175 HydrophobicContact CB-CB 4.27Å; I171-R175 HydrophobicContact CD1-CB 4.03Å; I171-R175 HydrophobicContact CG1-CB 4.36Å; D172-R175 HydrophobicContact CB-CG 4.48Å; D172-R175 WeakPolarHBondContact O-CB 3.21Å; D172-R175 PolarHBondContact O-N 2.68Å; E173-R175 VanDerWaalsContact C-N 3.31Å; E173-R175 PolarHBondContact O-N 3.04Å; R175-D182 HydrophobicContact CB-CB 4.38Å; R175-D182 WeakPolarHBondContact CB-OD2 3.37Å; R175-D182 IonicContact CZ-OD1 3.58Å; R175-D182 IonicContact CZ-OD2 2.76Å; R175-D182 VanDerWaalsContact NE-CG 3.26Å; R175-D182 IonicContact NE-OD1 3.07Å; R175-D182 IonicContact NE-OD2 2.75Å; R175-D182 PolarHBondContact NE-OD2 3.3Å; R175-D182 IonicContact NH2-OD1 2.65Å; R175-D182 PolarHBondContact NH2-OD1 3.17Å; R175-D182 IonicContact NH2-OD2 3.99Å; R175-D182 PolarHBondContact NH2-OD2 3.08Å
176	R	87.2	Confident	76.2	Confident	77 Å²	77	58 Å²	58	29%	0.291	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	129.5	178	-165.3	178.2	177.4	-132.6	-15.5	111.3	F162 E173 D190 L192	F162-R176 HydrophobicContact CG-CG 4.43Å; E173-R176 WeakPolarHBondContact O-CB 3.14Å; E173-R176 PolarHBondContact O-N 2.03Å; R176-D190 WeakPolarHBondContact CG-O 3.36Å; R176-L192 PolarHBondContact NH2-O 3.24Å
177	C	84.9	Confident	76.3	Confident	59 Å²	59	55.3 Å²	55.3	40%	0.399	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	32.5	-177.8	-50.1	0	0	0	0	113.9	D190 E191 C194	C177-D190 PolarHBondContact N-O 3.35Å; C177-E191 WeakPolarHBondContact CA-OE1 3.41Å; C177-E191 PolarHBondContact N-OE1 2.98Å; C177-E191 VanDerWaalsContact N-OE1 3.12Å; C177-C194 VanDerWaalsContact CA-SG 3.55Å; C177-C194 HydrophobicContact CB-CB 3.8Å; C177-C194 WeakPolarHBondContact CB-SG 3.46Å; C177-C194 WeakPolarHBondContact SG-CA 3.06Å; C177-C194 WeakPolarHBondContact SG-CB 3.44Å; C177-C194 CovalentContact SG-SG 2.03Å; C177-C194 PolarHBondContact SG-SG 3.12Å
178	D	81.3	Confident	77	Confident	64 Å²	64	58 Å²	58	34%	0.342	30%	0.298	S	S	.	.	S	Bend	trans	-93.1	-7	176.6	108	-37.8	0	0	0	113.3	K180 E191	D178-K180 WeakPolarHBondContact OD1-CB 3.47Å; D178-K180 WeakPolarHBondContact OD1-CG 3.14Å; D178-K180 PolarHBondContact OD1-N 3.22Å; D178-K180 WeakPolarHBondContact OD2-CE 3.04Å; D178-K180 IonicContact OD2-NZ 2.76Å; D178-K180 PolarHBondContact OD2-NZ 3.06Å; D178-E191 PolarHBondContact N-OE1 2.95Å
179	A	73	Confident	77.6	Confident	52 Å²	52	56.1 Å²	56.1	43%	0.43	29%	0.291	S	S	.	.	S	Bend	trans	73.9	18.7	-176.5	0	0	0	0	0	116.6	E191 Y198	A179-E191 WeakPolarHBondContact CA-OE2 3.05Å; A179-E191 VanDerWaalsContact N-CD 3.35Å; A179-E191 PolarHBondContact N-OE1 2.83Å; A179-E191 PolarHBondContact N-OE2 3.12Å; A179-Y198 HydrophobicContact CB-CD1 4.26Å; A179-Y198 HydrophobicContact CB-CD2 4.44Å; A179-Y198 HydrophobicContact CB-CE1 4.5Å; A179-Y198 HydrophobicContact CB-CG 4.23Å
180	K	75.6	Confident	78.3	Confident	120 Å²	120	55 Å²	55	52%	0.522	29%	0.286	S	S	.	.	S	Bend	trans	-95.9	176	159.8	-60.5	176.3	-165.4	126.3	0	111.2	D178 D182 E191	D178-K180 WeakPolarHBondContact OD1-CB 3.47Å; D178-K180 WeakPolarHBondContact OD1-CG 3.14Å; D178-K180 PolarHBondContact OD1-N 3.22Å; D178-K180 WeakPolarHBondContact OD2-CE 3.04Å; D178-K180 IonicContact OD2-NZ 2.76Å; D178-K180 PolarHBondContact OD2-NZ 3.06Å; K180-D182 WeakPolarHBondContact CB-OD1 3.21Å; K180-E191 VanDerWaalsContact O-CG 3.29Å; K180-E191 WeakPolarHBondContact O-CG 3.25Å
181	L	74.9	Confident	78.7	Confident	79 Å²	79	55 Å²	55	41%	0.414	28%	0.283	S	S	.	.			trans	-104.2	53.6	177.3	-153.3	106	0	0	0	109.7	C183 G184 L188 L201	L181-C183 PolarHBondContact O-N 3.46Å; L181-G184 WeakPolarHBondContact CD2-O 3.01Å; L181-G184 PolarHBondContact O-N 2.68Å; L181-L188 HydrophobicContact CD1-CD2 3.54Å; L181-L201 HydrophobicContact CD1-CD2 4.36Å
182	D	79.3	Confident	78.8	Confident	14 Å²	14	59.5 Å²	59.5	8%	0.075	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.7	-168.3	-78.3	-12.2	0	0	0	113	M169 I171 R175 K180 G184 D190	M169-D182 WeakPolarHBondContact CE-O 3.3Å; I171-D182 HydrophobicContact CD1-CB 4.23Å; R175-D182 HydrophobicContact CB-CB 4.38Å; R175-D182 WeakPolarHBondContact CB-OD2 3.37Å; R175-D182 IonicContact CZ-OD1 3.58Å; R175-D182 IonicContact CZ-OD2 2.76Å; R175-D182 VanDerWaalsContact NE-CG 3.26Å; R175-D182 IonicContact NE-OD1 3.07Å; R175-D182 IonicContact NE-OD2 2.75Å; R175-D182 PolarHBondContact NE-OD2 3.3Å; R175-D182 IonicContact NH2-OD1 2.65Å; R175-D182 PolarHBondContact NH2-OD1 3.17Å; R175-D182 IonicContact NH2-OD2 3.99Å; R175-D182 PolarHBondContact NH2-OD2 3.08Å; K180-D182 WeakPolarHBondContact CB-OD1 3.21Å; D182-G184 VanDerWaalsContact C-N 3.25Å; D182-G184 PolarHBondContact O-N 3.12Å; D182-D190 WeakPolarHBondContact CA-OD2 3.37Å; D182-D190 PolarHBondContact N-OD2 2.91Å
183	C	79.1	Confident	78.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.9	169.7	-81.9	0	0	0	0	115.2	C164 T167 L181 D187 D190	C164-C183 HydrophobicContact CB-CB 3.61Å; C164-C183 WeakPolarHBondContact CB-SG 3.17Å; C164-C183 WeakPolarHBondContact SG-CA 3.15Å; C164-C183 WeakPolarHBondContact SG-CB 3.39Å; C164-C183 CovalentContact SG-SG 2.03Å; C164-C183 PolarHBondContact SG-SG 3.29Å; T167-C183 WeakPolarHBondContact CB-O 2.98Å; T167-C183 WeakPolarHBondContact CG2-O 3.39Å; T167-C183 PolarHBondContact OG1-O 3.29Å; L181-C183 PolarHBondContact O-N 3.46Å; C183-D187 HydrophobicContact CB-CB 3.88Å; C183-D190 HydrophobicContact CB-CB 4.47Å; C183-D190 PolarHBondContact N-OD2 3.4Å; C183-D190 VanDerWaalsContact SG-CG 3.55Å; C183-D190 PolarHBondContact SG-N 3.01Å
184	G	65.8	Low	78.1	Confident	7 Å²	7	58.2 Å²	58.2	7%	0.072	31%	0.306	C	S	.	.			trans	90	167.9	179.3	0	0	0	0	0	114.2	L181 D182 G186 D187	L181-G184 WeakPolarHBondContact CD2-O 3.01Å; L181-G184 PolarHBondContact O-N 2.68Å; D182-G184 VanDerWaalsContact C-N 3.25Å; D182-G184 PolarHBondContact O-N 3.12Å; G184-G186 PolarHBondContact O-N 2.81Å; G184-D187 PolarHBondContact O-N 3.12Å; G184-D187 VanDerWaalsContact O-N 3.11Å
185	P	60.3	Low	77.4	Confident	72 Å²	72	56.7 Å²	56.7	47%	0.468	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	122.2	-167.2	23.3	-34.1	0	0	0	112.4
186	G	66.9	Low	75.9	Confident	19 Å²	19	60 Å²	60	20%	0.196	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	1.3	178.5	0	0	0	0	0	115.6	K166 G184	K166-G186 WeakPolarHBondContact CD-O 2.94Å; K166-G186 PolarHBondContact NZ-O 3.16Å; G184-G186 PolarHBondContact O-N 2.81Å
187	D	73.9	Confident	73.9	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.032	36%	0.358	C	S	.	.			trans	-111.7	139.1	166.7	-164	-10.6	0	0	0	110.9	C164 A165 K166 T167 C183 G184 S189	C164-D187 WeakPolarHBondContact CB-OD2 3.02Å; A165-D187 PolarHBondContact N-OD2 2.68Å; A165-D187 VanDerWaalsContact N-OD2 3.14Å; K166-D187 WeakPolarHBondContact CA-OD2 3.49Å; K166-D187 HydrophobicContact CB-CB 3.91Å; K166-D187 VanDerWaalsContact CB-CG 3.5Å; K166-D187 VanDerWaalsContact CB-OD2 3.32Å; K166-D187 WeakPolarHBondContact CB-OD2 3.45Å; K166-D187 HydrophobicContact CD-CB 4.48Å; K166-D187 PolarHBondContact N-OD2 2.99Å; T167-D187 HydrophobicContact CG2-CB 3.61Å; T167-D187 PolarHBondContact N-OD2 2.76Å; T167-D187 PolarHBondContact OG1-OD2 3.47Å; T167-D187 VanDerWaalsContact OG1-OD2 3.13Å; C183-D187 HydrophobicContact CB-CB 3.88Å; G184-D187 PolarHBondContact O-N 3.12Å; G184-D187 VanDerWaalsContact O-N 3.11Å; D187-S189 VanDerWaalsContact OD1-CB 3.25Å; D187-S189 WeakPolarHBondContact OD1-CB 3.48Å; D187-S189 PolarHBondContact OD1-N 3.31Å; D187-S189 PolarHBondContact OD1-OG 3.36Å
188	L	82.6	Confident	71.8	Confident	57 Å²	57	68 Å²	68	30%	0.298	37%	0.373	S	S	.	.			trans	-125.5	11.2	-173	-49.6	-179.2	0	0	0	111.7	L181 D190 E191 L192 L201	L181-L188 HydrophobicContact CD1-CD2 3.54Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 WeakPolarHBondContact CA-OD1 3.05Å; L188-D190 PolarHBondContact O-N 3.16Å; L188-E191 CarbonylContact O-C 3.58Å; L188-E191 PolarHBondContact O-N 2.83Å; L188-L192 HydrophobicContact CB-CD1 4.06Å; L188-L192 HydrophobicContact CB-CG 4.24Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.24Å; L188-L192 PolarHBondContact O-N 2.04Å; L188-L201 HydrophobicContact CB-CD1 4.33Å; L188-L201 HydrophobicContact CD1-CB 4.49Å; L188-L201 HydrophobicContact CD1-CD1 4.45Å; L188-L201 HydrophobicContact CD1-CD2 4.17Å; L188-L201 HydrophobicContact CD2-CD1 4.01Å; L188-L201 HydrophobicContact CD2-CD2 3.6Å; L188-L201 HydrophobicContact CD2-CG 4.41Å; L188-L201 HydrophobicContact CG-CD1 4.5Å; L188-L201 HydrophobicContact CG-CD2 4.49Å
189	S	85.7	Confident	70.1	Confident	13 Å²	13	76 Å²	76	9%	0.091	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.4	-165.5	-64.9	0	0	0	0	114.2	F162 A165 D187	F162-S189 VanDerWaalsContact CE1-C 3.47Å; F162-S189 WeakPolarHBondContact CE1-O 3.25Å; F162-S189 WeakPolarHBondContact CZ-O 3.37Å; A165-S189 WeakPolarHBondContact CA-OG 3.42Å; A165-S189 WeakPolarHBondContact CB-OG 2.93Å; A165-S189 VanDerWaalsContact N-CB 3.33Å; A165-S189 PolarHBondContact N-OG 2.7Å; D187-S189 VanDerWaalsContact OD1-CB 3.25Å; D187-S189 WeakPolarHBondContact OD1-CB 3.48Å; D187-S189 PolarHBondContact OD1-N 3.31Å; D187-S189 PolarHBondContact OD1-OG 3.36Å
190	D	84	Confident	68.8	Low	0 Å²	0	81 Å²	81	0%	0	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-55.1	168.5	44.1	1.6	0	0	0	111.5	F162 I171 R176 C177 D182 C183 L188 L192 C194	F162-D190 HydrophobicContact CE1-CB 4.49Å; I171-D190 HydrophobicContact CD1-CB 3.79Å; R176-D190 WeakPolarHBondContact CG-O 3.36Å; C177-D190 PolarHBondContact N-O 3.35Å; D182-D190 WeakPolarHBondContact CA-OD2 3.37Å; D182-D190 PolarHBondContact N-OD2 2.91Å; C183-D190 HydrophobicContact CB-CB 4.47Å; C183-D190 PolarHBondContact N-OD2 3.4Å; C183-D190 VanDerWaalsContact SG-CG 3.55Å; C183-D190 PolarHBondContact SG-N 3.01Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 WeakPolarHBondContact CA-OD1 3.05Å; L188-D190 PolarHBondContact O-N 3.16Å; D190-L192 VanDerWaalsContact C-N 3.29Å; D190-L192 PolarHBondContact O-N 3.47Å; D190-C194 PolarHBondContact O-SG 2.86Å
191	E	83	Confident	67.2	Low	32 Å²	32	80 Å²	80	15%	0.15	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.9	-178.1	-67.4	-57.9	120.4	0	0	113.5	C177 D178 A179 K180 L188 C194 L201	C177-E191 WeakPolarHBondContact CA-OE1 3.41Å; C177-E191 PolarHBondContact N-OE1 2.98Å; C177-E191 VanDerWaalsContact N-OE1 3.12Å; D178-E191 PolarHBondContact N-OE1 2.95Å; A179-E191 WeakPolarHBondContact CA-OE2 3.05Å; A179-E191 VanDerWaalsContact N-CD 3.35Å; A179-E191 PolarHBondContact N-OE1 2.83Å; A179-E191 PolarHBondContact N-OE2 3.12Å; K180-E191 VanDerWaalsContact O-CG 3.29Å; K180-E191 WeakPolarHBondContact O-CG 3.25Å; L188-E191 CarbonylContact O-C 3.58Å; L188-E191 PolarHBondContact O-N 2.83Å; E191-C194 VanDerWaalsContact C-SG 3.52Å; E191-C194 PolarHBondContact O-SG 3.12Å; E191-C194 VanDerWaalsContact O-SG 3.35Å; E191-L201 HydrophobicContact CB-CD1 3.8Å; E191-L201 HydrophobicContact CG-CD1 4.41Å
192	L	82.6	Confident	66	Low	99 Å²	99	79.2 Å²	79.2	52%	0.518	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	141.3	175.5	-80.5	169.9	0	0	0	112.7	R176 L188 D190 C194	R176-L192 PolarHBondContact NH2-O 3.24Å; L188-L192 HydrophobicContact CB-CD1 4.06Å; L188-L192 HydrophobicContact CB-CG 4.24Å; L188-L192 WeakPolarHBondContact O-CB 3.47Å; L188-L192 WeakPolarHBondContact O-CG 3.24Å; L188-L192 PolarHBondContact O-N 2.04Å; D190-L192 VanDerWaalsContact C-N 3.29Å; D190-L192 PolarHBondContact O-N 3.47Å; L192-C194 PolarHBondContact O-N 3.01Å
193	N	76.1	Confident	64.7	Low	152 Å²	152	82.9 Å²	82.9	81%	0.813	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	29.6	179.4	-155.5	32	0	0	0	114.2
194	C	74	Confident	63.6	Low	29 Å²	29	85.3 Å²	85.3	20%	0.196	46%	0.457	C	S	.	.			trans	-70.5	134.4	173.4	-65.9	0	0	0	0	112.5	C177 D190 E191 L192 K196	C177-C194 VanDerWaalsContact CA-SG 3.55Å; C177-C194 HydrophobicContact CB-CB 3.8Å; C177-C194 WeakPolarHBondContact CB-SG 3.46Å; C177-C194 WeakPolarHBondContact SG-CA 3.06Å; C177-C194 WeakPolarHBondContact SG-CB 3.44Å; C177-C194 CovalentContact SG-SG 2.03Å; C177-C194 PolarHBondContact SG-SG 3.12Å; D190-C194 PolarHBondContact O-SG 2.86Å; E191-C194 VanDerWaalsContact C-SG 3.52Å; E191-C194 PolarHBondContact O-SG 3.12Å; E191-C194 VanDerWaalsContact O-SG 3.35Å; L192-C194 PolarHBondContact O-N 3.01Å; C194-K196 PolarHBondContact O-N 3.05Å
195	S	69.1	Low	62.9	Low	133 Å²	133	95.5 Å²	95.5	93%	0.93	49%	0.493	S	S	*	.	S	Bend	trans	-66.5	-2.9	179.5	-56.2	0	0	0	0	114.8
196	K	55.1	Low	62.7	Low	177 Å²	177	99.9 Å²	99.9	77%	0.77	51%	0.507	S	S	*	.	S	Bend	trans	-131.1	125.5	172	-65.7	175.5	-176	168.8	0	107.9	C194 Y198	C194-K196 PolarHBondContact O-N 3.05Å; K196-Y198 PolarHBondContact O-N 3.36Å
197	P	44.7	Very low	62.1	Low	125 Å²	125	102.3 Å²	102.3	81%	0.812	52%	0.516	S	S	*	.			trans	-84.4	107.6	-174.7	31.2	-33.5	0	0	0	112.3
198	Y	41.6	Very low	61.3	Low	178 Å²	178	109.6 Å²	109.6	70%	0.698	55%	0.554	S	S	*	*			trans	-80.7	153.1	159.6	-124.5	-94.1	0	0	0	110.6	A179 K196	A179-Y198 HydrophobicContact CB-CD1 4.26Å; A179-Y198 HydrophobicContact CB-CD2 4.44Å; A179-Y198 HydrophobicContact CB-CE1 4.5Å; A179-Y198 HydrophobicContact CB-CG 4.23Å; K196-Y198 PolarHBondContact O-N 3.36Å
199	R	45.7	Very low	60.6	Low	233 Å²	233	111.3 Å²	111.3	88%	0.879	57%	0.57	S	S	*	*	S	Bend	trans	-106.4	-1.1	-154.5	-98.4	-174.1	176.4	-175.7	-0.3	117.7
200	Q	44.6	Very low	59.6	Low	156 Å²	156	112.4 Å²	112.4	73%	0.729	58%	0.575	S	S	*	*	S	Bend	trans	-97	-20.3	-162.4	-76.8	168.1	-68.8	0	0	116.4	A202	Q200-A202 VanDerWaalsContact C-N 3.29Å; Q200-A202 PolarHBondContact O-N 2.97Å; Q200-A202 VanDerWaalsContact O-N 3.13Å
201	L	43.2	Very low	58.8	Low	98 Å²	98	118.8 Å²	118.8	51%	0.513	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	25.3	-173.2	-72.2	170.7	0	0	0	116	L181 L188 E191	L181-L201 HydrophobicContact CD1-CD2 4.36Å; L188-L201 HydrophobicContact CB-CD1 4.33Å; L188-L201 HydrophobicContact CD1-CB 4.49Å; L188-L201 HydrophobicContact CD1-CD1 4.45Å; L188-L201 HydrophobicContact CD1-CD2 4.17Å; L188-L201 HydrophobicContact CD2-CD1 4.01Å; L188-L201 HydrophobicContact CD2-CD2 3.6Å; L188-L201 HydrophobicContact CD2-CG 4.41Å; L188-L201 HydrophobicContact CG-CD1 4.5Å; L188-L201 HydrophobicContact CG-CD2 4.49Å; E191-L201 HydrophobicContact CB-CD1 3.8Å; E191-L201 HydrophobicContact CG-CD1 4.41Å
202	A	48.3	Very low	58.3	Low	64 Å²	64	120.9 Å²	120.9	53%	0.529	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-7.1	-174.6	0	0	0	0	0	115.5	Q200	Q200-A202 VanDerWaalsContact C-N 3.29Å; Q200-A202 PolarHBondContact O-N 2.97Å; Q200-A202 VanDerWaalsContact O-N 3.13Å
203	V	53.3	Low	58	Low	91 Å²	91	118.8 Å²	118.8	55%	0.552	61%	0.606	S	S	*	*	S	Bend	trans	-81.3	-48.1	-159.6	-176.4	0	0	0	0	113.9	R205 Q206	V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 2.74Å; V203-Q206 PolarHBondContact O-N 2.95Å
204	C	55	Low	57.5	Low	51 Å²	51	118.1 Å²	118.1	35%	0.345	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-29.4	-166.6	-93.1	0	0	0	0	116.1	Q206 C218	C204-Q206 VanDerWaalsContact C-N 3.34Å; C204-Q206 PolarHBondContact O-N 3.36Å; C204-C218 VanDerWaalsContact CA-SG 3.6Å; C204-C218 HydrophobicContact CB-CB 3.81Å; C204-C218 WeakPolarHBondContact CB-SG 3.44Å; C204-C218 WeakPolarHBondContact SG-CA 3.35Å; C204-C218 WeakPolarHBondContact SG-CB 3.44Å; C204-C218 CovalentContact SG-SG 2.03Å; C204-C218 PolarHBondContact SG-SG 3.06Å
205	R	50.5	Low	57.3	Low	221 Å²	221	120.3 Å²	120.3	83%	0.834	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-5.5	-179.9	-75.7	-171.9	175.3	176.3	2.3	115.2	V203	V203-R205 VanDerWaalsContact C-N 3.33Å; V203-R205 PolarHBondContact O-N 2.74Å
206	Q	57.2	Low	57.2	Low	164 Å²	164	117.5 Å²	117.5	77%	0.766	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	-17.2	-171.6	-59.4	-166.6	12.3	0	0	114.8	V203 C204 L208	V203-Q206 PolarHBondContact O-N 2.95Å; C204-Q206 VanDerWaalsContact C-N 3.34Å; C204-Q206 PolarHBondContact O-N 3.36Å; Q206-L208 PolarHBondContact O-N 3.1Å
207	N	54	Low	57.8	Low	70 Å²	70	112.5 Å²	112.5	37%	0.374	57%	0.571	S	S	.	*			trans	-94.4	99.9	-173.8	-162.9	5.7	0	0	0	111.8	S209 L210	N207-S209 PolarHBondContact O-N 3.44Å; N207-S209 VanDerWaalsContact O-N 3.09Å; N207-L210 HydrophobicContact CB-CD1 3.84Å; N207-L210 HydrophobicContact CB-CG 3.94Å; N207-L210 PolarHBondContact O-N 2.89Å; N207-L210 VanDerWaalsContact O-N 3.07Å
208	L	57.3	Low	59	Low	159 Å²	159	107.9 Å²	107.9	83%	0.832	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-56.9	-23.4	-178.1	-83.8	152.9	0	0	0	114.6	Q206 L210	Q206-L208 PolarHBondContact O-N 3.1Å; L208-L210 VanDerWaalsContact C-N 3.27Å; L208-L210 PolarHBondContact O-N 2.84Å
209	S	67.6	Low	59.5	Low	92 Å²	92	100.4 Å²	100.4	64%	0.643	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-75.7	-13.4	178.9	-52.4	0	0	0	0	114.1	N207 N213	N207-S209 PolarHBondContact O-N 3.44Å; N207-S209 VanDerWaalsContact O-N 3.09Å; S209-N213 PolarHBondContact O-ND2 3.38Å; S209-N213 VanDerWaalsContact O-ND2 3.15Å
210	L	63.8	Low	59.9	Low	36 Å²	36	92.3 Å²	92.3	19%	0.188	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-101.2	23.5	-179.1	-48.7	179.9	0	0	0	111.9	N207 L208 D217 D223	N207-L210 HydrophobicContact CB-CD1 3.84Å; N207-L210 HydrophobicContact CB-CG 3.94Å; N207-L210 PolarHBondContact O-N 2.89Å; N207-L210 VanDerWaalsContact O-N 3.07Å; L208-L210 VanDerWaalsContact C-N 3.27Å; L208-L210 PolarHBondContact O-N 2.84Å; L210-D217 HydrophobicContact CB-CB 4.09Å; L210-D217 HydrophobicContact CD1-CB 4.43Å; L210-D217 HydrophobicContact CD2-CB 4.17Å; L210-D217 WeakPolarHBondContact CD2-OD2 3.2Å; L210-D217 HydrophobicContact CG-CB 4.44Å; L210-D223 WeakPolarHBondContact O-CB 2.98Å
211	R	69.1	Low	61	Low	134 Å²	134	91.4 Å²	91.4	51%	0.506	48%	0.48	S	S	.	.	S	Bend	trans	-133.4	134.1	-176.8	-89.5	-169.1	151.8	-116.5	-22.2	112.3	N213 E222 D223	R211-N213 VanDerWaalsContact C-N 3.26Å; R211-N213 PolarHBondContact O-N 2.95Å; R211-E222 PolarHBondContact NH2-O 3.49Å; R211-D223 HydrophobicContact CG-CB 4.44Å
212	C	71.8	Confident	61.9	Low	76 Å²	76	90 Å²	90	51%	0.514	47%	0.471	S	S	.	.	S	Bend	trans	52.8	41.9	-173.7	-56.6	0	0	0	0	112.5	D223 E224 C227	C212-D223 PolarHBondContact N-O 3.45Å; C212-E224 VanDerWaalsContact C-OE2 3.3Å; C212-E224 VanDerWaalsContact CA-CD 3.49Å; C212-E224 WeakPolarHBondContact CA-OE1 3.32Å; C212-E224 VanDerWaalsContact CA-OE2 3.25Å; C212-E224 WeakPolarHBondContact CA-OE2 3.33Å; C212-E224 PolarHBondContact N-OE1 2.97Å; C212-C227 WeakPolarHBondContact CA-SG 3.39Å; C212-C227 HydrophobicContact CB-CB 4.09Å; C212-C227 WeakPolarHBondContact CB-SG 3.44Å; C212-C227 WeakPolarHBondContact SG-CB 3.3Å; C212-C227 CovalentContact SG-SG 2.04Å; C212-C227 PolarHBondContact SG-SG 3.49Å
213	N	75.6	Confident	62.8	Low	56 Å²	56	87 Å²	87	30%	0.299	45%	0.446	S	S	.	.	S	Bend	trans	-108.3	1.4	-178.1	74.2	4.8	0	0	0	114	S209 R211 V215 D217 E224	S209-N213 PolarHBondContact O-ND2 3.38Å; S209-N213 VanDerWaalsContact O-ND2 3.15Å; R211-N213 VanDerWaalsContact C-N 3.26Å; R211-N213 PolarHBondContact O-N 2.95Å; N213-V215 VanDerWaalsContact C-N 3.3Å; N213-V215 WeakPolarHBondContact OD1-CA 3.42Å; N213-V215 WeakPolarHBondContact OD1-CB 3.29Å; N213-V215 PolarHBondContact OD1-N 2.83Å; N213-V215 PolarHBondContact OD1-O 2.8Å; N213-D217 PolarHBondContact ND2-OD2 2.94Å; N213-E224 VanDerWaalsContact N-CD 3.35Å; N213-E224 PolarHBondContact N-OE1 3.21Å; N213-E224 PolarHBondContact N-OE2 2.84Å; N213-E224 VanDerWaalsContact N-OE2 3.17Å
214	N	66.2	Low	63.6	Low	137 Å²	137	84 Å²	84	73%	0.733	43%	0.426	S	S	*	.	S	Bend	trans	59.6	25.7	-170.7	-69.3	-42.7	0	0	0	115.5	E224	N214-E224 WeakPolarHBondContact CA-OE2 3.33Å; N214-E224 VanDerWaalsContact N-CD 3.26Å; N214-E224 PolarHBondContact N-OE2 2.02Å
215	V	69.5	Low	64.1	Low	75 Å²	75	86.9 Å²	86.9	46%	0.455	44%	0.437	S	S	.	.	S	Bend	trans	-124.5	134.1	173.6	-173.2	0	0	0	0	108.9	N213 D217	N213-V215 VanDerWaalsContact C-N 3.3Å; N213-V215 WeakPolarHBondContact OD1-CA 3.42Å; N213-V215 WeakPolarHBondContact OD1-CB 3.29Å; N213-V215 PolarHBondContact OD1-N 2.83Å; N213-V215 PolarHBondContact OD1-O 2.8Å; V215-D217 PolarHBondContact O-N 3.1Å
216	N	66.8	Low	64.8	Low	74 Å²	74	79.2 Å²	79.2	40%	0.396	43%	0.426	S	S	.	.			trans	-82	68.2	176	180	28.9	0	0	0	109.9	C218 G219 E220 W221	N216-C218 VanDerWaalsContact C-N 3.29Å; N216-G219 WeakPolarHBondContact OD1-CA 3.12Å; N216-G219 PolarHBondContact OD1-N 3.23Å; N216-E220 PolarHBondContact OD1-N 3.02Å; N216-W221 HydrophobicContact CB-CD2 4.36Å; N216-W221 HydrophobicContact CB-CG 4.47Å; N216-W221 PolarHBondContact OD1-N 3.33Å
217	D	68.9	Low	65.3	Low	73 Å²	73	74.3 Å²	74.3	39%	0.39	41%	0.409	S	S	.	.	S	Bend	trans	-70.8	-23.3	179.3	-74.1	-44.8	0	0	0	112.6	L210 N213 V215 D223	L210-D217 HydrophobicContact CB-CB 4.09Å; L210-D217 HydrophobicContact CD1-CB 4.43Å; L210-D217 HydrophobicContact CD2-CB 4.17Å; L210-D217 WeakPolarHBondContact CD2-OD2 3.2Å; L210-D217 HydrophobicContact CG-CB 4.44Å; N213-D217 PolarHBondContact ND2-OD2 2.94Å; V215-D217 PolarHBondContact O-N 3.1Å; D217-D223 PolarHBondContact N-OD2 3.45Å
218	C	68.5	Low	65.1	Low	28 Å²	28	75.9 Å²	75.9	19%	0.189	43%	0.426	C	S	.	.	S	Bend	trans	-120.4	1	-167.7	-73.3	0	0	0	0	116	C204 N216 D223	C204-C218 VanDerWaalsContact CA-SG 3.6Å; C204-C218 HydrophobicContact CB-CB 3.81Å; C204-C218 WeakPolarHBondContact CB-SG 3.44Å; C204-C218 WeakPolarHBondContact SG-CA 3.35Å; C204-C218 WeakPolarHBondContact SG-CB 3.44Å; C204-C218 CovalentContact SG-SG 2.03Å; C204-C218 PolarHBondContact SG-SG 3.06Å; N216-C218 VanDerWaalsContact C-N 3.29Å; C218-D223 HydrophobicContact CB-CB 4.44Å; C218-D223 WeakPolarHBondContact CB-OD2 3.43Å; C218-D223 PolarHBondContact N-OD2 2.93Å
219	G	53	Low	64.5	Low	20 Å²	20	74.4 Å²	74.4	21%	0.206	42%	0.424	C	S	.	.	S	Bend	trans	85.3	143.9	179.8	0	0	0	0	0	112.9	N216 W221 E222	N216-G219 WeakPolarHBondContact OD1-CA 3.12Å; N216-G219 PolarHBondContact OD1-N 3.23Å; G219-W221 PolarHBondContact O-N 2.85Å; G219-E222 PolarHBondContact O-N 2.96Å
220	E	54	Low	63.2	Low	63 Å²	63	79.2 Å²	79.2	29%	0.294	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	24.7	-174.8	-63.9	-170.7	164.3	0	0	115.6	K166 N216 E222	K166-E220 WeakPolarHBondContact CE-OE2 3.16Å; K166-E220 IonicContact NZ-OE2 2.65Å; K166-E220 PolarHBondContact NZ-OE2 3.43Å; N216-E220 PolarHBondContact OD1-N 3.02Å; E220-E222 VanDerWaalsContact C-N 3.28Å; E220-E222 PolarHBondContact O-N 3.35Å
221	W	67.2	Low	61.8	Low	138 Å²	138	89.5 Å²	89.5	52%	0.523	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	29.7	-175.8	-54.5	70.7	0	0	0	113.6	N216 G219 D223 E224 I225	N216-W221 HydrophobicContact CB-CD2 4.36Å; N216-W221 HydrophobicContact CB-CG 4.47Å; N216-W221 PolarHBondContact OD1-N 3.33Å; G219-W221 PolarHBondContact O-N 2.85Å; W221-D223 WeakPolarHBondContact CA-OD1 3.35Å; W221-D223 PolarHBondContact O-N 2.81Å; W221-D223 VanDerWaalsContact O-N 3.12Å; W221-E224 HydrophobicContact CB-CB 4.32Å; W221-E224 HydrophobicContact CE3-CB 4.03Å; W221-E224 HydrophobicContact CE3-CG 3.76Å; W221-E224 HydrophobicContact CZ3-CG 4.36Å; W221-E224 CarbonylContact O-C 3.27Å; W221-E224 PolarHBondContact O-N 3.5Å; W221-I225 VanDerWaalsContact O-CG1 3.27Å; W221-I225 WeakPolarHBondContact O-CG1 3.27Å; W221-I225 PolarHBondContact O-N 2.02Å
222	E	62.2	Low	60.1	Low	68 Å²	68	90.6 Å²	90.6	32%	0.318	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.1	177.7	-86.3	-153.8	-166.5	0	0	114.8	K166 R211 G219 E220	K166-E222 WeakPolarHBondContact CE-OE1 3.15Å; K166-E222 IonicContact NZ-OE1 3.41Å; K166-E222 PolarHBondContact NZ-OE1 2.03Å; R211-E222 PolarHBondContact NH2-O 3.49Å; G219-E222 PolarHBondContact O-N 2.96Å; E220-E222 VanDerWaalsContact C-N 3.28Å; E220-E222 PolarHBondContact O-N 3.35Å
223	D	67.8	Low	58.2	Low	2 Å²	2	96.7 Å²	96.7	1%	0.011	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-43.5	172	29.7	37.1	0	0	0	112.4	L210 R211 C212 D217 C218 W221	L210-D223 WeakPolarHBondContact O-CB 2.98Å; R211-D223 HydrophobicContact CG-CB 4.44Å; C212-D223 PolarHBondContact N-O 3.45Å; D217-D223 PolarHBondContact N-OD2 3.45Å; C218-D223 HydrophobicContact CB-CB 4.44Å; C218-D223 WeakPolarHBondContact CB-OD2 3.43Å; C218-D223 PolarHBondContact N-OD2 2.93Å; W221-D223 WeakPolarHBondContact CA-OD1 3.35Å; W221-D223 PolarHBondContact O-N 2.81Å; W221-D223 VanDerWaalsContact O-N 3.12Å
224	E	70.2	Confident	56.1	Low	28 Å²	28	99.6 Å²	99.6	13%	0.131	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.7	-179.1	-54.2	-54	102.4	0	0	113.8	C212 N213 N214 W221 G226 C227	C212-E224 VanDerWaalsContact C-OE2 3.3Å; C212-E224 VanDerWaalsContact CA-CD 3.49Å; C212-E224 WeakPolarHBondContact CA-OE1 3.32Å; C212-E224 VanDerWaalsContact CA-OE2 3.25Å; C212-E224 WeakPolarHBondContact CA-OE2 3.33Å; C212-E224 PolarHBondContact N-OE1 2.97Å; N213-E224 VanDerWaalsContact N-CD 3.35Å; N213-E224 PolarHBondContact N-OE1 3.21Å; N213-E224 PolarHBondContact N-OE2 2.84Å; N213-E224 VanDerWaalsContact N-OE2 3.17Å; N214-E224 WeakPolarHBondContact CA-OE2 3.33Å; N214-E224 VanDerWaalsContact N-CD 3.26Å; N214-E224 PolarHBondContact N-OE2 2.02Å; W221-E224 HydrophobicContact CB-CB 4.32Å; W221-E224 HydrophobicContact CE3-CB 4.03Å; W221-E224 HydrophobicContact CE3-CG 3.76Å; W221-E224 HydrophobicContact CZ3-CG 4.36Å; W221-E224 CarbonylContact O-C 3.27Å; W221-E224 PolarHBondContact O-N 3.5Å; E224-G226 PolarHBondContact O-N 2.92Å; E224-C227 PolarHBondContact O-N 2.73Å; E224-C227 PolarHBondContact O-SG 3.29Å
225	I	65.5	Low	54.5	Low	111 Å²	111	103.7 Å²	103.7	57%	0.569	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	119.7	173.8	-76	165	0	0	0	110.5	W221	W221-I225 VanDerWaalsContact O-CG1 3.27Å; W221-I225 WeakPolarHBondContact O-CG1 3.27Å; W221-I225 PolarHBondContact O-N 2.02Å
226	G	64.7	Low	52.7	Low	60 Å²	60	106.3 Å²	106.3	62%	0.619	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	100	6	175.6	0	0	0	0	0	115.4	E224 S228	E224-G226 PolarHBondContact O-N 2.92Å; G226-S228 PolarHBondContact O-N 3.37Å
227	C	67.4	Low	51.2	Low	60 Å²	60	111.9 Å²	111.9	41%	0.405	55%	0.547	S	S	.	.			trans	-67.6	11.6	172.9	-50.7	0	0	0	0	114	C212 E224	C212-C227 WeakPolarHBondContact CA-SG 3.39Å; C212-C227 HydrophobicContact CB-CB 4.09Å; C212-C227 WeakPolarHBondContact CB-SG 3.44Å; C212-C227 WeakPolarHBondContact SG-CB 3.3Å; C212-C227 CovalentContact SG-SG 2.04Å; C212-C227 PolarHBondContact SG-SG 3.49Å; E224-C227 PolarHBondContact O-N 2.73Å; E224-C227 PolarHBondContact O-SG 3.29Å
228	S	50.8	Low	49.6	Very low	104 Å²	104	115.2 Å²	115.2	73%	0.727	57%	0.565	S	S	*	*			trans	-94.7	102	-171.7	50.5	0	0	0	0	113.7	G226	G226-S228 PolarHBondContact O-N 3.37Å
229	T	44.7	Very low	48.2	Very low	128 Å²	128	118.2 Å²	118.2	79%	0.785	59%	0.592	S	S	*	*			trans	-123.8	12.3	171.2	48.5	0	0	0	0	114.3
230	F	39.4	Very low	47.5	Very low	193 Å²	193	124.7 Å²	124.7	85%	0.846	62%	0.62	S	S	*	*	S	Bend	trans	-141.2	66.5	-165.8	-93.4	-89.5	0	0	0	116.7
231	R	35.2	Very low	46.5	Very low	252 Å²	252	130.8 Å²	130.8	95%	0.951	65%	0.649	S	S	*	*			trans	166.9	176	141.1	-91.6	163.9	173.2	177	-2.4	113.4
232	Q	32.6	Very low	44.9	Very low	156 Å²	156	128.8 Å²	128.8	73%	0.729	66%	0.661	S	S	*	*			trans	-154.6	138.6	-152.1	-77.2	-170.9	14.2	0	0	117.2
233	R	32.4	Very low	43.7	Very low	204 Å²	204	134.4 Å²	134.4	77%	0.77	69%	0.692	S	S	*	*			trans	70	157.8	136.3	-61.8	173.5	178.8	-142.4	-2.2	121.2
234	L	31.2	Very low	42.5	Very low	118 Å²	118	138.1 Å²	138.1	62%	0.618	72%	0.722	S	S	*	*			cis	-170.4	134.1	-19.1	-98.9	169.2	0	0	0	113.2
235	Y	32.3	Very low	42	Very low	223 Å²	223	141.5 Å²	141.5	88%	0.875	76%	0.755	S	S	*	*			trans	77.3	174.8	138	-83.4	-142.1	0	0	0	124.3
236	D	32.8	Very low	42	Very low	130 Å²	130	138 Å²	138	70%	0.695	74%	0.74	S	S	*	*			trans	-142.9	171.8	-152.7	172	35.5	0	0	0	112.4
237	F	35.1	Very low	42.3	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.833	74%	0.741	S	S	*	*			trans	163.1	162.6	146.3	-106.8	-96.8	0	0	0	117.2
238	N	34.8	Very low	42.6	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	77%	0.766	S	S	*	*			trans	-107.2	161.2	-166.4	-70.1	-83.2	0	0	0	117.9
239	A	40	Very low	43.6	Very low	91 Å²	91	147.2 Å²	147.2	75%	0.752	76%	0.755	S	S	*	*			trans	-162.3	114.6	159.1	0	0	0	0	0	119.4
240	I	37.3	Very low	45.6	Very low	156 Å²	156	145.4 Å²	145.4	80%	0.8	73%	0.734	S	S	*	*			trans	61.5	117.4	131.3	-55.6	175	0	0	0	123.8
241	Q	32.2	Very low	47.5	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	71%	0.709	S	S	*	*			trans	23.4	131.8	144.4	-63.4	-177.8	-33.7	0	0	123.9
242	A	34.9	Very low	49.7	Very low	95 Å²	95	132.1 Å²	132.1	79%	0.785	69%	0.688	S	S	*	*			trans	-145.1	145	143.3	0	0	0	0	0	110.3	A244	A242-A244 PolarHBondContact O-N 3.43Å
243	I	36.6	Very low	52.2	Low	187 Å²	187	124.7 Å²	124.7	96%	0.959	65%	0.653	S	S	*	*			trans	-85.5	103.6	173.2	-60.9	173.2	0	0	0	108.2
244	A	43	Very low	54.3	Low	79 Å²	79	119.5 Å²	119.5	65%	0.653	65%	0.648	S	S	*	*			trans	-143.5	172.2	175.5	0	0	0	0	0	108.9	A242	A242-A244 PolarHBondContact O-N 3.43Å
245	A	59.1	Low	56.2	Low	100 Å²	100	121.7 Å²	121.7	83%	0.826	66%	0.655	S	S	*	*	S	Bend	trans	-55.2	146.9	176.5	0	0	0	0	0	111.6	R247	A245-R247 PolarHBondContact O-N 2.82Å
246	C	66.5	Low	58.1	Low	38 Å²	38	114.5 Å²	114.5	26%	0.257	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-54.7	137.9	178.5	-53.1	0	0	0	0	110.5	W250 C259	C246-W250 HydrophobicContact CB-CB 3.95Å; C246-W250 WeakPolarHBondContact CB-O 3.08Å; C246-C259 WeakPolarHBondContact CA-SG 3.48Å; C246-C259 HydrophobicContact CB-CB 3.86Å; C246-C259 WeakPolarHBondContact CB-SG 3.37Å; C246-C259 WeakPolarHBondContact SG-CB 2.96Å; C246-C259 CovalentContact SG-SG 2.04Å; C246-C259 PolarHBondContact SG-SG 3.36Å
247	R	70.6	Confident	60.1	Low	170 Å²	170	110.6 Å²	110.6	64%	0.642	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-62.3	162.8	179.1	63.6	176.9	176.7	172.8	-1.7	111.4	A245 G249 W250	A245-R247 PolarHBondContact O-N 2.82Å; R247-G249 PolarHBondContact O-N 2.68Å; R247-W250 HydrophobicContact CG-CB 4.12Å; R247-W250 HydrophobicContact CG-CD2 4.47Å; R247-W250 HydrophobicContact CG-CG 3.76Å; R247-W250 VanDerWaalsContact NE-CD1 3.28Å; R247-W250 VanDerWaalsContact NH2-NE1 3.15Å; R247-W250 WeakPolarHBondContact O-CB 3.37Å; R247-W250 PolarHBondContact O-N 3.22Å
248	E	73.2	Confident	62.1	Low	197 Å²	197	106.4 Å²	106.4	92%	0.921	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	137.4	171.2	-83.7	-178.2	131.2	0	0	111.4
249	G	72.5	Confident	64.3	Low	49 Å²	49	101.7 Å²	101.7	51%	0.505	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	74.7	15.7	-173	0	0	0	0	0	115.4	R247 S262	R247-G249 PolarHBondContact O-N 2.68Å; G249-S262 WeakPolarHBondContact O-CB 3Å; G249-S262 PolarHBondContact O-N 2.91Å; G249-S262 PolarHBondContact O-OG 3.11Å
250	W	85.4	Confident	66.3	Low	90 Å²	90	97.6 Å²	97.6	34%	0.341	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.7	136.5	174.1	-73.6	55.7	0	0	0	111.4	C246 R247 C259 F260 P261 S262	C246-W250 HydrophobicContact CB-CB 3.95Å; C246-W250 WeakPolarHBondContact CB-O 3.08Å; R247-W250 HydrophobicContact CG-CB 4.12Å; R247-W250 HydrophobicContact CG-CD2 4.47Å; R247-W250 HydrophobicContact CG-CG 3.76Å; R247-W250 VanDerWaalsContact NE-CD1 3.28Å; R247-W250 VanDerWaalsContact NH2-NE1 3.15Å; R247-W250 WeakPolarHBondContact O-CB 3.37Å; R247-W250 PolarHBondContact O-N 3.22Å; W250-C259 HydrophobicContact CE3-CB 3.93Å; W250-C259 WeakPolarHBondContact CZ3-O 3.41Å; W250-F260 CarbonylContact C-O 3.52Å; W250-F260 WeakPolarHBondContact CA-O 3.28Å; W250-F260 WeakPolarHBondContact CB-O 3.2Å; W250-P261 HydrophobicContact CD2-CB 4.23Å; W250-P261 HydrophobicContact CH2-CB 4.43Å; W250-P261 HydrophobicContact CH2-CG 4.42Å; W250-P261 HydrophobicContact CZ2-CB 3.81Å; W250-P261 HydrophobicContact CZ2-CG 4.22Å; W250-S262 PolarHBondContact N-OG 3.42Å
251	K	79.8	Confident	68.4	Low	71 Å²	71	91.9 Å²	91.9	31%	0.309	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	172.1	175.9	-75	-174.1	172.1	-175.7	0	110.8	C259 F260 W265	K251-C259 CarbonylContact O-C 3.41Å; K251-C259 WeakPolarHBondContact O-CA 2.99Å; K251-F260 HydrophobicContact CB-CD1 4.48Å; K251-F260 HydrophobicContact CB-CD2 4.32Å; K251-F260 HydrophobicContact CB-CE1 3.99Å; K251-F260 HydrophobicContact CB-CE2 3.8Å; K251-F260 HydrophobicContact CB-CZ 3.64Å; K251-F260 HydrophobicContact CD-CE2 4.4Å; K251-F260 HydrophobicContact CD-CZ 4.43Å; K251-F260 PolarHBondContact N-O 3.05Å; K251-F260 WeakPolarHBondContact O-CD1 3.36Å; K251-F260 PolarHBondContact O-N 2.64Å; K251-W265 HydrophobicContact CD-CD2 3.93Å; K251-W265 HydrophobicContact CD-CE3 3.21Å; K251-W265 HydrophobicContact CD-CZ3 3.57Å
252	N	82.4	Confident	70.6	Confident	96 Å²	96	85.4 Å²	85.4	51%	0.513	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.9	179.7	66.5	-80.9	0	0	0	112.7	Q258	N252-Q258 CarbonylContact C-O 3.57Å; N252-Q258 WeakPolarHBondContact CA-O 3.04Å
253	C	84.8	Confident	72.6	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	50%	0.495	C	S	.	.			trans	-67.9	146.9	172.2	-52.4	0	0	0	0	110.9	Q255 T256 G257 Q258 C272	C253-Q255 PolarHBondContact O-N 3.05Å; C253-T256 VanDerWaalsContact CB-OG1 3.29Å; C253-T256 WeakPolarHBondContact CB-OG1 2.91Å; C253-G257 PolarHBondContact O-N 2.7Å; C253-G257 VanDerWaalsContact O-N 3.16Å; C253-Q258 PolarHBondContact N-O 3.44Å; C253-Q258 PolarHBondContact SG-O 2.82Å; C253-C272 VanDerWaalsContact CA-SG 3.51Å; C253-C272 HydrophobicContact CB-CB 3.76Å; C253-C272 WeakPolarHBondContact CB-SG 2.95Å; C253-C272 WeakPolarHBondContact SG-CA 3.44Å; C253-C272 WeakPolarHBondContact SG-CB 3.3Å; C253-C272 CovalentContact SG-SG 2.04Å; C253-C272 PolarHBondContact SG-SG 3.47Å
254	S	75.6	Confident	74.7	Confident	94 Å²	94	76.8 Å²	76.8	66%	0.657	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-38.5	-168.4	-54.5	0	0	0	0	114	D274 S276	S254-D274 PolarHBondContact N-OD2 2.79Å; S254-S276 WeakPolarHBondContact CB-OG 3.37Å; S254-S276 PolarHBondContact N-OG 2.84Å; S254-S276 VanDerWaalsContact OG-CB 3.29Å; S254-S276 WeakPolarHBondContact OG-CB 2.83Å; S254-S276 PolarHBondContact OG-OG 3.22Å
255	Q	70.7	Confident	76.4	Confident	164 Å²	164	76.9 Å²	76.9	77%	0.766	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-35.4	-175.9	-53.3	-175.5	37	0	0	112.7	C253 D274	C253-Q255 PolarHBondContact O-N 3.05Å; Q255-D274 WeakPolarHBondContact CA-OD2 3.22Å; Q255-D274 HydrophobicContact CB-CB 4.28Å; Q255-D274 VanDerWaalsContact CB-OD2 3.23Å; Q255-D274 WeakPolarHBondContact CB-OD2 3.41Å; Q255-D274 HydrophobicContact CG-CB 4.05Å; Q255-D274 WeakPolarHBondContact CG-OD2 3.47Å; Q255-D274 PolarHBondContact N-OD2 3.23Å
256	T	73.4	Confident	77.2	Confident	73 Å²	73	74.5 Å²	74.5	45%	0.448	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-21.7	-175.8	69.4	0	0	0	0	113.8	C253 Q258 A273	C253-T256 VanDerWaalsContact CB-OG1 3.29Å; C253-T256 WeakPolarHBondContact CB-OG1 2.91Å; T256-Q258 PolarHBondContact O-N 3.24Å; T256-Q258 WeakPolarHBondContact OG1-CB 3.15Å; T256-Q258 PolarHBondContact OG1-N 2.75Å; T256-A273 HydrophobicContact CG2-CB 4.45Å
257	G	74	Confident	77.8	Confident	47 Å²	47	75.7 Å²	75.7	49%	0.485	42%	0.415	S	S	.	.			trans	65.6	8.9	-172.1	0	0	0	0	0	114.4	C253	C253-G257 PolarHBondContact O-N 2.7Å; C253-G257 VanDerWaalsContact O-N 3.16Å
258	Q	76.7	Confident	77.7	Confident	102 Å²	102	75.7 Å²	75.7	48%	0.477	42%	0.422	S	S	.	.			trans	-64.8	131.6	175.9	178.1	176.8	-49.6	0	0	110	N252 C253 T256 D271	N252-Q258 CarbonylContact C-O 3.57Å; N252-Q258 WeakPolarHBondContact CA-O 3.04Å; C253-Q258 PolarHBondContact N-O 3.44Å; C253-Q258 PolarHBondContact SG-O 2.82Å; T256-Q258 PolarHBondContact O-N 3.24Å; T256-Q258 WeakPolarHBondContact OG1-CB 3.15Å; T256-Q258 PolarHBondContact OG1-N 2.75Å; Q258-D271 PolarHBondContact NE2-O 3.39Å
259	C	81.6	Confident	78	Confident	46 Å²	46	70.8 Å²	70.8	31%	0.311	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.4	174.8	-59	0	0	0	0	111.2	C246 W250 K251	C246-C259 WeakPolarHBondContact CA-SG 3.48Å; C246-C259 HydrophobicContact CB-CB 3.86Å; C246-C259 WeakPolarHBondContact CB-SG 3.37Å; C246-C259 WeakPolarHBondContact SG-CB 2.96Å; C246-C259 CovalentContact SG-SG 2.04Å; C246-C259 PolarHBondContact SG-SG 3.36Å; W250-C259 HydrophobicContact CE3-CB 3.93Å; W250-C259 WeakPolarHBondContact CZ3-O 3.41Å; K251-C259 CarbonylContact O-C 3.41Å; K251-C259 WeakPolarHBondContact O-CA 2.99Å
260	F	82.8	Confident	78.5	Confident	4 Å²	4	74.4 Å²	74.4	2%	0.018	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.9	172.6	60.9	-87.3	0	0	0	109.9	W250 K251 A264 W265 D271 C272 D277	W250-F260 CarbonylContact C-O 3.52Å; W250-F260 WeakPolarHBondContact CA-O 3.28Å; W250-F260 WeakPolarHBondContact CB-O 3.2Å; K251-F260 HydrophobicContact CB-CD1 4.48Å; K251-F260 HydrophobicContact CB-CD2 4.32Å; K251-F260 HydrophobicContact CB-CE1 3.99Å; K251-F260 HydrophobicContact CB-CE2 3.8Å; K251-F260 HydrophobicContact CB-CZ 3.64Å; K251-F260 HydrophobicContact CD-CE2 4.4Å; K251-F260 HydrophobicContact CD-CZ 4.43Å; K251-F260 PolarHBondContact N-O 3.05Å; K251-F260 WeakPolarHBondContact O-CD1 3.36Å; K251-F260 PolarHBondContact O-N 2.64Å; F260-A264 HydrophobicContact CD2-CB 4.29Å; F260-A264 WeakPolarHBondContact CD2-O 3.48Å; F260-A264 WeakPolarHBondContact CE2-O 3.35Å; F260-W265 HydrophobicContact CE2-CB 4.33Å; F260-W265 AromaticContact CE2-CE3 3.9Å; F260-W265 HydrophobicContact CE2-CE3 3.9Å; F260-W265 AromaticContact CZ-CE3 3.65Å; F260-W265 HydrophobicContact CZ-CE3 3.65Å; F260-W265 HydrophobicContact CZ-CZ3 4.06Å; F260-D271 HydrophobicContact CB-CB 4.48Å; F260-C272 WeakPolarHBondContact CD1-SG 3.35Å; F260-C272 WeakPolarHBondContact CE1-SG 3.15Å; F260-D277 HydrophobicContact CE2-CB 4.15Å; F260-D277 HydrophobicContact CZ-CB 4.11Å
261	P	81	Confident	78.3	Confident	36 Å²	36	73.1 Å²	73.1	23%	0.234	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	144.8	178	29	-34.2	0	0	0	110.5	W250 S263 A264	W250-P261 HydrophobicContact CD2-CB 4.23Å; W250-P261 HydrophobicContact CH2-CB 4.43Å; W250-P261 HydrophobicContact CH2-CG 4.42Å; W250-P261 HydrophobicContact CZ2-CB 3.81Å; W250-P261 HydrophobicContact CZ2-CG 4.22Å; P261-S263 PolarHBondContact O-N 2.69Å; P261-A264 HydrophobicContact CG-CB 4.16Å; P261-A264 PolarHBondContact O-N 3.36Å
262	S	78.1	Confident	78.3	Confident	56 Å²	56	69.8 Å²	69.8	39%	0.392	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-7.8	178.9	-62.3	0	0	0	0	114.5	G249 W250 A264	G249-S262 WeakPolarHBondContact O-CB 3Å; G249-S262 PolarHBondContact O-N 2.91Å; G249-S262 PolarHBondContact O-OG 3.11Å; W250-S262 PolarHBondContact N-OG 3.42Å; S262-A264 VanDerWaalsContact C-N 3.35Å
263	S	77.3	Confident	78.2	Confident	98 Å²	98	69.4 Å²	69.4	69%	0.685	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.2	171.2	59.1	0	0	0	0	114	P261	P261-S263 PolarHBondContact O-N 2.69Å
264	A	81.3	Confident	77.9	Confident	3 Å²	3	71 Å²	71	3%	0.025	40%	0.403	C	S	.	.	S	Bend	trans	-106.2	62.5	176.3	0	0	0	0	0	109.8	F260 P261 S262 D271	F260-A264 HydrophobicContact CD2-CB 4.29Å; F260-A264 WeakPolarHBondContact CD2-O 3.48Å; F260-A264 WeakPolarHBondContact CE2-O 3.35Å; P261-A264 HydrophobicContact CG-CB 4.16Å; P261-A264 PolarHBondContact O-N 3.36Å; S262-A264 VanDerWaalsContact C-N 3.35Å; A264-D271 WeakPolarHBondContact CB-OD2 3.09Å
265	W	78.6	Confident	78.1	Confident	81 Å²	81	70.9 Å²	70.9	31%	0.307	39%	0.392	S	S	.	.	S	Bend	trans	-144.8	120.3	177	178	-68.2	0	0	0	107.5	K251 F260 D267	K251-W265 HydrophobicContact CD-CD2 3.93Å; K251-W265 HydrophobicContact CD-CE3 3.21Å; K251-W265 HydrophobicContact CD-CZ3 3.57Å; F260-W265 HydrophobicContact CE2-CB 4.33Å; F260-W265 AromaticContact CE2-CE3 3.9Å; F260-W265 HydrophobicContact CE2-CE3 3.9Å; F260-W265 AromaticContact CZ-CE3 3.65Å; F260-W265 HydrophobicContact CZ-CE3 3.65Å; F260-W265 HydrophobicContact CZ-CZ3 4.06Å; W265-D267 PolarHBondContact O-N 3.15Å
266	C	76.2	Confident	78.6	Confident	49 Å²	49	63.6 Å²	63.6	33%	0.331	36%	0.36	S	S	.	.	S	Bend	trans	52.8	37.2	-163.1	-51.1	0	0	0	0	111.7	D277 E278 C281	C266-D277 PolarHBondContact N-O 3.27Å; C266-E278 WeakPolarHBondContact CA-OE1 3.39Å; C266-E278 WeakPolarHBondContact CA-OE2 3.02Å; C266-E278 PolarHBondContact N-OE1 2.79Å; C266-C281 HydrophobicContact CB-CB 4.14Å; C266-C281 WeakPolarHBondContact CB-SG 3Å; C266-C281 WeakPolarHBondContact SG-CB 2.99Å; C266-C281 CovalentContact SG-SG 2.04Å; C266-C281 PolarHBondContact SG-SG 3.27Å
267	D	77.2	Confident	78.8	Confident	64 Å²	64	60.1 Å²	60.1	34%	0.342	34%	0.339	S	S	.	.	S	Bend	trans	-93.9	4.9	176.8	94.2	-28.7	0	0	0	113.2	W265 K269 E278	W265-D267 PolarHBondContact O-N 3.15Å; D267-K269 VanDerWaalsContact C-N 3.25Å; D267-K269 PolarHBondContact O-N 3.26Å; D267-K269 WeakPolarHBondContact OD1-CA 3.12Å; D267-K269 WeakPolarHBondContact OD1-CB 2.99Å; D267-K269 PolarHBondContact OD1-N 2.87Å; D267-K269 IonicContact OD1-NZ 2.93Å; D267-K269 PolarHBondContact OD1-NZ 2.93Å; D267-K269 IonicContact OD2-NZ 2.69Å; D267-K269 PolarHBondContact OD2-NZ 2.67Å; D267-E278 PolarHBondContact N-OE1 3.5Å
268	Q	70.1	Confident	78.9	Confident	169 Å²	169	59.9 Å²	59.9	79%	0.79	33%	0.325	S	S	*	.	S	Bend	trans	66.4	16.3	-176.6	-51.3	-176.4	15	0	0	114.7	E278	Q268-E278 WeakPolarHBondContact CA-OE2 3.08Å; Q268-E278 VanDerWaalsContact N-CD 3.28Å; Q268-E278 PolarHBondContact N-OE1 2.94Å; Q268-E278 PolarHBondContact N-OE2 3.44Å
269	K	79.1	Confident	78.5	Confident	95 Å²	95	58.2 Å²	58.2	41%	0.413	32%	0.321	S	S	.	.	S	Bend	trans	-139.5	113.7	-178.9	177.5	-157.8	89.5	-57.9	0	112.4	D267 D271	D267-K269 VanDerWaalsContact C-N 3.25Å; D267-K269 PolarHBondContact O-N 3.26Å; D267-K269 WeakPolarHBondContact OD1-CA 3.12Å; D267-K269 WeakPolarHBondContact OD1-CB 2.99Å; D267-K269 PolarHBondContact OD1-N 2.87Å; D267-K269 IonicContact OD1-NZ 2.93Å; D267-K269 PolarHBondContact OD1-NZ 2.93Å; D267-K269 IonicContact OD2-NZ 2.69Å; D267-K269 PolarHBondContact OD2-NZ 2.67Å; K269-D271 WeakPolarHBondContact CE-OD1 2.88Å; K269-D271 VanDerWaalsContact CE-OD2 3.31Å; K269-D271 WeakPolarHBondContact CE-OD2 2.99Å; K269-D271 VanDerWaalsContact NZ-CG 3.28Å; K269-D271 IonicContact NZ-OD1 2.75Å; K269-D271 IonicContact NZ-OD2 2.73Å; K269-D271 PolarHBondContact NZ-OD2 3.43Å; K269-D271 PolarHBondContact O-N 2.78Å
270	F	82.3	Confident	77.6	Confident	125 Å²	125	60.4 Å²	60.4	55%	0.548	33%	0.327	S	S	.	.			trans	-59.4	92.2	177.6	-44.6	-52.6	0	0	0	113.6	H275 D277 E278	F270-H275 HydrophobicContact CD1-CB 3.82Å; F270-H275 AromaticContact CD1-CD2 3.7Å; F270-H275 AromaticContact CD1-CG 3.66Å; F270-H275 AromaticContact CD2-CD2 3.98Å; F270-H275 AromaticContact CD2-NE2 3.85Å; F270-H275 HydrophobicContact CE1-CB 4.06Å; F270-H275 AromaticContact CE1-CG 3.91Å; F270-H275 AromaticContact CG-CD2 3.53Å; F270-H275 AromaticContact CG-CG 3.97Å; F270-H275 AromaticContact CG-NE2 3.89Å; F270-D277 WeakPolarHBondContact CA-OD2 3.32Å; F270-E278 HydrophobicContact CD1-CB 4.03Å; F270-E278 HydrophobicContact CD1-CG 3.73Å; F270-E278 HydrophobicContact CE1-CB 3.83Å; F270-E278 HydrophobicContact CE1-CG 3.87Å
271	D	82.1	Confident	76.9	Confident	62 Å²	62	62.3 Å²	62.3	33%	0.332	34%	0.34	S	S	.	.			trans	-82.8	-21.8	163.7	-82.7	-45.2	0	0	0	111.5	Q258 F260 A264 K269 D277	Q258-D271 PolarHBondContact NE2-O 3.39Å; F260-D271 HydrophobicContact CB-CB 4.48Å; A264-D271 WeakPolarHBondContact CB-OD2 3.09Å; K269-D271 WeakPolarHBondContact CE-OD1 2.88Å; K269-D271 VanDerWaalsContact CE-OD2 3.31Å; K269-D271 WeakPolarHBondContact CE-OD2 2.99Å; K269-D271 VanDerWaalsContact NZ-CG 3.28Å; K269-D271 IonicContact NZ-OD1 2.75Å; K269-D271 IonicContact NZ-OD2 2.73Å; K269-D271 PolarHBondContact NZ-OD2 3.43Å; K269-D271 PolarHBondContact O-N 2.78Å; D271-D277 WeakPolarHBondContact CA-OD2 3.5Å; D271-D277 PolarHBondContact N-OD2 2.96Å
272	C	80.3	Confident	76	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.014	35%	0.351	C	S	.	.	S	Bend	trans	-92.5	126.1	170.4	-70.7	0	0	0	0	112.2	C253 F260 D274 H275 D277	C253-C272 VanDerWaalsContact CA-SG 3.51Å; C253-C272 HydrophobicContact CB-CB 3.76Å; C253-C272 WeakPolarHBondContact CB-SG 2.95Å; C253-C272 WeakPolarHBondContact SG-CA 3.44Å; C253-C272 WeakPolarHBondContact SG-CB 3.3Å; C253-C272 CovalentContact SG-SG 2.04Å; C253-C272 PolarHBondContact SG-SG 3.47Å; F260-C272 WeakPolarHBondContact CD1-SG 3.35Å; F260-C272 WeakPolarHBondContact CE1-SG 3.15Å; C272-D274 WeakPolarHBondContact CB-OD1 3.39Å; C272-D274 PolarHBondContact O-N 3.25Å; C272-H275 PolarHBondContact O-N 2.93Å; C272-D277 HydrophobicContact CB-CB 4.34Å; C272-D277 PolarHBondContact N-OD2 3.11Å
273	A	79.4	Confident	75.5	Confident	88 Å²	88	63.3 Å²	63.3	73%	0.727	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-1.1	176.8	0	0	0	0	0	115	T256	T256-A273 HydrophobicContact CG2-CB 4.45Å
274	D	78.8	Confident	75	Confident	32 Å²	32	59.9 Å²	59.9	17%	0.171	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	5	173.6	58.2	25.2	0	0	0	113	S254 Q255 C272 S276	S254-D274 PolarHBondContact N-OD2 2.79Å; Q255-D274 WeakPolarHBondContact CA-OD2 3.22Å; Q255-D274 HydrophobicContact CB-CB 4.28Å; Q255-D274 VanDerWaalsContact CB-OD2 3.23Å; Q255-D274 WeakPolarHBondContact CB-OD2 3.41Å; Q255-D274 HydrophobicContact CG-CB 4.05Å; Q255-D274 WeakPolarHBondContact CG-OD2 3.47Å; Q255-D274 PolarHBondContact N-OD2 3.23Å; C272-D274 WeakPolarHBondContact CB-OD1 3.39Å; C272-D274 PolarHBondContact O-N 3.25Å; D274-S276 PolarHBondContact O-N 2.93Å; D274-S276 VanDerWaalsContact OD1-CB 3.24Å; D274-S276 WeakPolarHBondContact OD1-CB 3.43Å; D274-S276 PolarHBondContact OD1-N 3.02Å; D274-S276 PolarHBondContact OD1-OG 3.02Å; D274-S276 PolarHBondContact OD2-OG 3.21Å
275	H	79.1	Confident	74.2	Confident	92 Å²	92	66.5 Å²	66.5	43%	0.426	36%	0.361	S	S	.	.			trans	58.1	21	-177.7	-46.1	165	0	0	0	115.2	F270 C272 D277 E278 T279	F270-H275 HydrophobicContact CD1-CB 3.82Å; F270-H275 AromaticContact CD1-CD2 3.7Å; F270-H275 AromaticContact CD1-CG 3.66Å; F270-H275 AromaticContact CD2-CD2 3.98Å; F270-H275 AromaticContact CD2-NE2 3.85Å; F270-H275 HydrophobicContact CE1-CB 4.06Å; F270-H275 AromaticContact CE1-CG 3.91Å; F270-H275 AromaticContact CG-CD2 3.53Å; F270-H275 AromaticContact CG-CG 3.97Å; F270-H275 AromaticContact CG-NE2 3.89Å; C272-H275 PolarHBondContact O-N 2.93Å; H275-D277 VanDerWaalsContact CA-OD1 3.26Å; H275-D277 WeakPolarHBondContact CA-OD1 3.39Å; H275-D277 PolarHBondContact O-N 2.94Å; H275-D277 VanDerWaalsContact O-N 3.17Å; H275-E278 PolarHBondContact O-N 2.87Å; H275-T279 PolarHBondContact O-N 3.22Å
276	S	82	Confident	73.7	Confident	12 Å²	12	67.2 Å²	67.2	8%	0.084	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.4	179.5	-59.1	0	0	0	0	114.9	S254 D274 T279	S254-S276 WeakPolarHBondContact CB-OG 3.37Å; S254-S276 PolarHBondContact N-OG 2.84Å; S254-S276 VanDerWaalsContact OG-CB 3.29Å; S254-S276 WeakPolarHBondContact OG-CB 2.83Å; S254-S276 PolarHBondContact OG-OG 3.22Å; D274-S276 PolarHBondContact O-N 2.93Å; D274-S276 VanDerWaalsContact OD1-CB 3.24Å; D274-S276 WeakPolarHBondContact OD1-CB 3.43Å; D274-S276 PolarHBondContact OD1-N 3.02Å; D274-S276 PolarHBondContact OD1-OG 3.02Å; D274-S276 PolarHBondContact OD2-OG 3.21Å; S276-T279 PolarHBondContact O-OG1 3.15Å
277	D	76.9	Confident	73.6	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-31.5	178.6	44.8	-6.5	0	0	0	113.2	F260 C266 F270 D271 C272 H275	F260-D277 HydrophobicContact CE2-CB 4.15Å; F260-D277 HydrophobicContact CZ-CB 4.11Å; C266-D277 PolarHBondContact N-O 3.27Å; F270-D277 WeakPolarHBondContact CA-OD2 3.32Å; D271-D277 WeakPolarHBondContact CA-OD2 3.5Å; D271-D277 PolarHBondContact N-OD2 2.96Å; C272-D277 HydrophobicContact CB-CB 4.34Å; C272-D277 PolarHBondContact N-OD2 3.11Å; H275-D277 VanDerWaalsContact CA-OD1 3.26Å; H275-D277 WeakPolarHBondContact CA-OD1 3.39Å; H275-D277 PolarHBondContact O-N 2.94Å; H275-D277 VanDerWaalsContact O-N 3.17Å
278	E	77.3	Confident	73.7	Confident	42 Å²	42	66.9 Å²	66.9	20%	0.196	36%	0.359	C	S	.	.	S	Bend	trans	-105.7	4	-178.3	-64.4	-54.8	117	0	0	113.6	C266 D267 Q268 F270 H275	C266-E278 WeakPolarHBondContact CA-OE1 3.39Å; C266-E278 WeakPolarHBondContact CA-OE2 3.02Å; C266-E278 PolarHBondContact N-OE1 2.79Å; D267-E278 PolarHBondContact N-OE1 3.5Å; Q268-E278 WeakPolarHBondContact CA-OE2 3.08Å; Q268-E278 VanDerWaalsContact N-CD 3.28Å; Q268-E278 PolarHBondContact N-OE1 2.94Å; Q268-E278 PolarHBondContact N-OE2 3.44Å; F270-E278 HydrophobicContact CD1-CB 4.03Å; F270-E278 HydrophobicContact CD1-CG 3.73Å; F270-E278 HydrophobicContact CE1-CB 3.83Å; F270-E278 HydrophobicContact CE1-CG 3.87Å; H275-E278 PolarHBondContact O-N 2.87Å
279	T	68.2	Low	74.1	Confident	66 Å²	66	64.3 Å²	64.3	41%	0.405	35%	0.345	S	S	.	.	S	Bend	trans	-96.2	144.6	166.2	55.6	0	0	0	0	110.9	H275 S276	H275-T279 PolarHBondContact O-N 3.22Å; S276-T279 PolarHBondContact O-OG1 3.15Å
280	E	62.2	Low	74.3	Confident	93 Å²	93	60 Å²	60	44%	0.435	33%	0.326	S	S	.	.			trans	84.9	45.4	173.7	-45.1	-136.2	122.6	0	0	117.9	E33 T34	E33-E280 VanDerWaalsContact N-CA 3.34Å; E33-E280 PolarHBondContact N-OE1 3.1Å; E33-E280 VanDerWaalsContact N-OE1 3.17Å; T34-E280 WeakPolarHBondContact CG2-O 3.47Å
281	C	67.5	Low	74.3	Confident	43 Å²	43	62.1 Å²	62.1	29%	0.291	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-102.5	122.8	173.5	-39.7	0	0	0	0	112.1	E33 C266	E33-C281 WeakPolarHBondContact CG-O 3.46Å; C266-C281 HydrophobicContact CB-CB 4.14Å; C266-C281 WeakPolarHBondContact CB-SG 3Å; C266-C281 WeakPolarHBondContact SG-CB 2.99Å; C266-C281 CovalentContact SG-SG 2.04Å; C266-C281 PolarHBondContact SG-SG 3.27Å
282	L	62	Low	73.9	Confident	88 Å²	88	62.6 Å²	62.6	46%	0.461	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-88.5	149.9	166.2	-89	167.2	0	0	0	108.4	E33 T34 A284	E33-L282 HydrophobicContact CB-CD2 4.45Å; E33-L282 HydrophobicContact CB-CG 4.19Å; E33-L282 HydrophobicContact CG-CD2 4Å; E33-L282 HydrophobicContact CG-CG 3.93Å; E33-L282 VanDerWaalsContact OE1-CD2 3.27Å; E33-L282 WeakPolarHBondContact OE1-CD2 3.44Å; T34-L282 HydrophobicContact CG2-CB 3.5Å; T34-L282 HydrophobicContact CG2-CD1 3.86Å; T34-L282 HydrophobicContact CG2-CG 3.48Å; T34-L282 VanDerWaalsContact CG2-CG 3.48Å; T34-L282 WeakPolarHBondContact OG1-CD1 3.43Å; T34-L282 WeakPolarHBondContact OG1-CG 3.25Å; L282-A284 PolarHBondContact O-N 3.38Å
283	C	67.5	Low	73.5	Confident	25 Å²	25	63.9 Å²	63.9	17%	0.169	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.6	131.8	157.9	-47.6	0	0	0	0	109.2	Q287 C295	C283-Q287 HydrophobicContact CB-CB 4Å; C283-C295 WeakPolarHBondContact CA-SG 3.15Å; C283-C295 HydrophobicContact CB-CB 3.66Å; C283-C295 WeakPolarHBondContact CB-SG 3.46Å; C283-C295 PolarHBondContact N-SG 2.77Å; C283-C295 VanDerWaalsContact SG-CA 3.57Å; C283-C295 WeakPolarHBondContact SG-CB 3.22Å; C283-C295 CovalentContact SG-SG 2.04Å; C283-C295 PolarHBondContact SG-SG 3.23Å
284	A	67.1	Low	73.4	Confident	27 Å²	27	63.1 Å²	63.1	22%	0.223	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-68	161.1	176	0	0	0	0	0	111.1	L282 H286 Q287	L282-A284 PolarHBondContact O-N 3.38Å; A284-H286 WeakPolarHBondContact CB-CE1 3.41Å; A284-H286 PolarHBondContact O-N 3.04Å; A284-Q287 HydrophobicContact CB-CG 4.38Å; A284-Q287 WeakPolarHBondContact O-CB 3.41Å; A284-Q287 PolarHBondContact O-N 3.25Å
285	P	64.1	Low	73.4	Confident	142 Å²	142	63.4 Å²	63.4	92%	0.922	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	1.4	-174.1	-25.1	35.5	0	0	0	117.2
286	H	67.8	Low	73.4	Confident	95 Å²	95	61.9 Å²	61.9	44%	0.44	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	18.1	178.1	54.1	-90.6	0	0	0	111.6	P39 A284 A298	P39-H286 VanDerWaalsContact CG-CE1 3.44Å; P39-H286 WeakPolarHBondContact CG-CE1 3.16Å; A284-H286 WeakPolarHBondContact CB-CE1 3.41Å; A284-H286 PolarHBondContact O-N 3.04Å; H286-A298 WeakPolarHBondContact O-CB 3.43Å; H286-A298 PolarHBondContact O-N 2.94Å
287	Q	75.6	Confident	73.4	Confident	66 Å²	66	63.6 Å²	63.6	31%	0.308	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.8	174.3	-67.4	173.3	-22.6	0	0	108.4	C283 A284 R296	C283-Q287 HydrophobicContact CB-CB 4Å; A284-Q287 HydrophobicContact CB-CG 4.38Å; A284-Q287 WeakPolarHBondContact O-CB 3.41Å; A284-Q287 PolarHBondContact O-N 3.25Å; Q287-R296 CarbonylContact C-O 3.57Å; Q287-R296 WeakPolarHBondContact CA-O 3.06Å; Q287-R296 VanDerWaalsContact CB-O 3.31Å; Q287-R296 WeakPolarHBondContact CB-O 3.48Å
288	F	77.7	Confident	73.4	Confident	41 Å²	41	66.7 Å²	66.7	18%	0.18	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	169.8	164.9	76.9	-81	0	0	0	110	C295 R296 P297 D300 R301 D313	F288-C295 WeakPolarHBondContact O-CA 3.17Å; F288-R296 HydrophobicContact CD1-CB 4.25Å; F288-R296 WeakPolarHBondContact CD1-O 3.25Å; F288-R296 HydrophobicContact CE1-CB 3.54Å; F288-R296 HydrophobicContact CZ-CB 3.67Å; F288-R296 HydrophobicContact CZ-CG 4.34Å; F288-R296 PolarHBondContact N-O 2.73Å; F288-R296 PolarHBondContact O-N 3.47Å; F288-R296 VanDerWaalsContact O-N 3.07Å; F288-P297 WeakPolarHBondContact CD1-O 3.19Å; F288-P297 VanDerWaalsContact CE1-O 3.28Å; F288-P297 WeakPolarHBondContact CE1-O 3.48Å; F288-D300 HydrophobicContact CE1-CB 4.09Å; F288-R301 HydrophobicContact CD1-CB 4.09Å; F288-R301 HydrophobicContact CE1-CB 3.88Å; F288-R301 HydrophobicContact CZ-CB 4.24Å; F288-D313 HydrophobicContact CE2-CB 4.3Å; F288-D313 HydrophobicContact CZ-CB 3.85Å
289	K	78.9	Confident	73.6	Confident	114 Å²	114	68.7 Å²	68.7	50%	0.496	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.1	179.1	-164.7	164.7	-169.9	162.7	0	108.5	E33 L294	E33-K289 IonicContact OE2-NZ 2.74Å; E33-K289 PolarHBondContact OE2-NZ 3.46Å; K289-L294 WeakPolarHBondContact CA-O 3.34Å
290	C	84.3	Confident	74.2	Confident	4 Å²	4	66.3 Å²	66.3	3%	0.027	37%	0.372	C	S	.	.			trans	-60.1	161.2	170	-60.7	0	0	0	0	110.7	N292 G293 L294 C308	C290-N292 VanDerWaalsContact C-N 3.28Å; C290-N292 VanDerWaalsContact CB-OD1 3.26Å; C290-N292 WeakPolarHBondContact CB-OD1 3.48Å; C290-N292 PolarHBondContact O-N 3.38Å; C290-G293 WeakPolarHBondContact O-CA 3.45Å; C290-G293 PolarHBondContact O-N 2.61Å; C290-L294 HydrophobicContact CB-CB 4.09Å; C290-L294 WeakPolarHBondContact CB-O 3.36Å; C290-L294 PolarHBondContact N-O 2.88Å; C290-C308 HydrophobicContact CB-CB 3.65Å; C290-C308 WeakPolarHBondContact CB-SG 3.23Å; C290-C308 WeakPolarHBondContact SG-CA 3.5Å; C290-C308 WeakPolarHBondContact SG-CB 3.24Å; C290-C308 CovalentContact SG-SG 2.03Å; C290-C308 PolarHBondContact SG-SG 3.47Å
291	Q	80.8	Confident	75.1	Confident	170 Å²	170	67 Å²	67	79%	0.794	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-31.8	-178.6	-168.1	75.4	-24.3	0	0	112.2	G293 S312	Q291-G293 PolarHBondContact O-N 3.45Å; Q291-S312 WeakPolarHBondContact CB-OG 3.39Å; Q291-S312 PolarHBondContact N-OG 3.3Å; Q291-S312 VanDerWaalsContact N-OG 3.14Å
292	N	74.7	Confident	75.4	Confident	73 Å²	73	66.8 Å²	66.8	39%	0.39	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.1	168.6	65	24.2	0	0	0	114.8	C290 L294 C308 D310	C290-N292 VanDerWaalsContact C-N 3.28Å; C290-N292 VanDerWaalsContact CB-OD1 3.26Å; C290-N292 WeakPolarHBondContact CB-OD1 3.48Å; C290-N292 PolarHBondContact O-N 3.38Å; N292-L294 WeakPolarHBondContact OD1-CB 3.39Å; N292-L294 PolarHBondContact OD1-N 3.44Å; N292-C308 PolarHBondContact ND2-O 3.05Å; N292-D310 WeakPolarHBondContact CB-OD2 3.05Å; N292-D310 PolarHBondContact N-OD2 2.94Å; N292-D310 PolarHBondContact ND2-OD2 3Å
293	G	71.8	Confident	75.9	Confident	28 Å²	28	65.8 Å²	65.8	29%	0.289	36%	0.364	S	S	.	.	S	Bend	trans	93.5	-2	178.6	0	0	0	0	0	115.6	C290 Q291	C290-G293 WeakPolarHBondContact O-CA 3.45Å; C290-G293 PolarHBondContact O-N 2.61Å; Q291-G293 PolarHBondContact O-N 3.45Å
294	L	77	Confident	76.1	Confident	73 Å²	73	65.1 Å²	65.1	38%	0.382	36%	0.362	S	S	.	.			trans	-63.1	134	175.5	-174.1	66.3	0	0	0	110.8	K289 C290 N292 R296	K289-L294 WeakPolarHBondContact CA-O 3.34Å; C290-L294 HydrophobicContact CB-CB 4.09Å; C290-L294 WeakPolarHBondContact CB-O 3.36Å; C290-L294 PolarHBondContact N-O 2.88Å; N292-L294 WeakPolarHBondContact OD1-CB 3.39Å; N292-L294 PolarHBondContact OD1-N 3.44Å; L294-R296 HydrophobicContact CD2-CG 4.08Å; L294-R296 HydrophobicContact CG-CG 4.27Å
295	C	78.6	Confident	76.5	Confident	37 Å²	37	67.5 Å²	67.5	25%	0.25	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	108.1	173.8	-60.1	0	0	0	0	109.6	C283 F288	C283-C295 WeakPolarHBondContact CA-SG 3.15Å; C283-C295 HydrophobicContact CB-CB 3.66Å; C283-C295 WeakPolarHBondContact CB-SG 3.46Å; C283-C295 PolarHBondContact N-SG 2.77Å; C283-C295 VanDerWaalsContact SG-CA 3.57Å; C283-C295 WeakPolarHBondContact SG-CB 3.22Å; C283-C295 CovalentContact SG-SG 2.04Å; C283-C295 PolarHBondContact SG-SG 3.23Å; F288-C295 WeakPolarHBondContact O-CA 3.17Å
296	R	80	Confident	77.2	Confident	60 Å²	60	63.4 Å²	63.4	23%	0.226	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.6	173.9	-69.4	-58.9	-56	-123.4	4.1	110.1	Q287 F288 L294 D300 D307	Q287-R296 CarbonylContact C-O 3.57Å; Q287-R296 WeakPolarHBondContact CA-O 3.06Å; Q287-R296 VanDerWaalsContact CB-O 3.31Å; Q287-R296 WeakPolarHBondContact CB-O 3.48Å; F288-R296 HydrophobicContact CD1-CB 4.25Å; F288-R296 WeakPolarHBondContact CD1-O 3.25Å; F288-R296 HydrophobicContact CE1-CB 3.54Å; F288-R296 HydrophobicContact CZ-CB 3.67Å; F288-R296 HydrophobicContact CZ-CG 4.34Å; F288-R296 PolarHBondContact N-O 2.73Å; F288-R296 PolarHBondContact O-N 3.47Å; F288-R296 VanDerWaalsContact O-N 3.07Å; L294-R296 HydrophobicContact CD2-CG 4.08Å; L294-R296 HydrophobicContact CG-CG 4.27Å; R296-D300 HydrophobicContact CB-CB 4.1Å; R296-D300 IonicContact CZ-OD2 3.18Å; R296-D300 IonicContact NE-OD2 2.62Å; R296-D300 PolarHBondContact NE-OD2 2.55Å; R296-D300 IonicContact NH2-OD2 2.67Å; R296-D300 PolarHBondContact NH2-OD2 3.14Å; R296-D307 WeakPolarHBondContact CD-O 3.37Å; R296-D307 VanDerWaalsContact CZ-CB 3.44Å; R296-D307 IonicContact CZ-OD1 2.7Å; R296-D307 VanDerWaalsContact NH1-CG 3.35Å; R296-D307 PolarHBondContact NH1-O 2.93Å; R296-D307 IonicContact NH1-OD1 2.99Å; R296-D307 PolarHBondContact NH1-OD1 2.92Å; R296-D307 IonicContact NH2-OD1 2.84Å; R296-D307 PolarHBondContact NH2-OD1 3.43Å; R296-D307 IonicContact NH2-OD2 3.17Å; R296-D307 PolarHBondContact NH2-OD2 3.3Å
297	P	82.4	Confident	77.9	Confident	49 Å²	49	60.7 Å²	60.7	32%	0.318	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-42.7	145.5	167.4	-31	32	0	0	0	113.9	F288 S299 D300	F288-P297 WeakPolarHBondContact CD1-O 3.19Å; F288-P297 VanDerWaalsContact CE1-O 3.28Å; F288-P297 WeakPolarHBondContact CE1-O 3.48Å; P297-S299 VanDerWaalsContact CB-OG 3.29Å; P297-S299 WeakPolarHBondContact CB-OG 3.38Å; P297-S299 PolarHBondContact O-N 2.94Å; P297-D300 WeakPolarHBondContact CD-OD2 3.28Å; P297-D300 WeakPolarHBondContact O-CB 3.32Å; P297-D300 PolarHBondContact O-N 2.92Å
298	A	76.8	Confident	78.1	Confident	64 Å²	64	57.8 Å²	57.8	53%	0.529	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-63	-13.6	178.2	0	0	0	0	0	114.2	H286	H286-A298 WeakPolarHBondContact O-CB 3.43Å; H286-A298 PolarHBondContact O-N 2.94Å
299	S	81.4	Confident	78.1	Confident	85 Å²	85	58.6 Å²	58.6	59%	0.594	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-70.6	-16.5	169.3	46.2	0	0	0	0	114.3	P297	P297-S299 VanDerWaalsContact CB-OG 3.29Å; P297-S299 WeakPolarHBondContact CB-OG 3.38Å; P297-S299 PolarHBondContact O-N 2.94Å
300	D	81	Confident	78.3	Confident	16 Å²	16	55.8 Å²	55.8	9%	0.086	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-100.6	9.8	-168.8	-47.7	-1.4	0	0	0	111.4	F288 R296 P297 D307 D313	F288-D300 HydrophobicContact CE1-CB 4.09Å; R296-D300 HydrophobicContact CB-CB 4.1Å; R296-D300 IonicContact CZ-OD2 3.18Å; R296-D300 IonicContact NE-OD2 2.62Å; R296-D300 PolarHBondContact NE-OD2 2.55Å; R296-D300 IonicContact NH2-OD2 2.67Å; R296-D300 PolarHBondContact NH2-OD2 3.14Å; P297-D300 WeakPolarHBondContact CD-OD2 3.28Å; P297-D300 WeakPolarHBondContact O-CB 3.32Å; P297-D300 PolarHBondContact O-N 2.92Å; D300-D307 HydrophobicContact CB-CB 4.09Å; D300-D313 WeakPolarHBondContact O-CB 3.34Å
301	R	80	Confident	77.8	Confident	106 Å²	106	61.5 Å²	61.5	40%	0.4	35%	0.354	S	S	.	.	S	Bend	trans	-98.6	125.5	171.7	-174.8	-176.5	-174	-90.5	-11.2	108.6	F288 D313 F315 D316	F288-R301 HydrophobicContact CD1-CB 4.09Å; F288-R301 HydrophobicContact CE1-CB 3.88Å; F288-R301 HydrophobicContact CZ-CB 4.24Å; R301-D313 WeakPolarHBondContact CG-O 3.07Å; R301-F315 PolarHBondContact NH2-O 2.04Å; R301-D316 PolarHBondContact NH1-O 3.4Å; R301-D316 PolarHBondContact NH2-O 2.92Å
302	C	74.9	Confident	78	Confident	40 Å²	40	55.1 Å²	55.1	27%	0.27	33%	0.328	S	S	.	.	S	Bend	trans	60.5	40.1	-179.3	-54.4	0	0	0	0	113.7	D313 E314 C317	C302-D313 PolarHBondContact N-O 3.13Å; C302-E314 VanDerWaalsContact C-OE1 3.26Å; C302-E314 WeakPolarHBondContact CA-OE1 3.38Å; C302-E314 PolarHBondContact N-OE1 2.03Å; C302-C317 VanDerWaalsContact CA-SG 3.55Å; C302-C317 HydrophobicContact CB-CB 3.72Å; C302-C317 WeakPolarHBondContact CB-SG 3.33Å; C302-C317 WeakPolarHBondContact SG-CA 3.43Å; C302-C317 WeakPolarHBondContact SG-CB 3.32Å; C302-C317 CovalentContact SG-SG 2.03Å; C302-C317 PolarHBondContact SG-SG 2.9Å
303	N	72.7	Confident	78.1	Confident	66 Å²	66	51.6 Å²	51.6	35%	0.353	31%	0.31	S	S	.	.	S	Bend	trans	-97.9	-4.4	178.9	78.3	4.4	0	0	0	113.6	V305 D307 E314	N303-V305 WeakPolarHBondContact OD1-CA 3.39Å; N303-V305 VanDerWaalsContact OD1-CB 3.24Å; N303-V305 WeakPolarHBondContact OD1-CB 3.4Å; N303-V305 PolarHBondContact OD1-N 2.68Å; N303-V305 PolarHBondContact OD1-O 2.03Å; N303-D307 PolarHBondContact ND2-OD2 3.01Å; N303-E314 PolarHBondContact N-OE1 3.34Å
304	G	69.7	Low	78.4	Confident	11 Å²	11	50.5 Å²	50.5	11%	0.113	30%	0.297	C	S	.	.	S	Bend	trans	88.9	17.6	-178.4	0	0	0	0	0	115.2	E314 K332	G304-E314 WeakPolarHBondContact CA-OE2 3.03Å; G304-E314 VanDerWaalsContact N-CD 3.26Å; G304-E314 PolarHBondContact N-OE1 3.42Å; G304-E314 PolarHBondContact N-OE2 3.05Å; G304-K332 PolarHBondContact O-NZ 3.38Å
305	V	76.4	Confident	78.2	Confident	77 Å²	77	52.8 Å²	52.8	47%	0.467	30%	0.304	S	S	.	.	S	Bend	trans	-139.6	137.7	-176.6	-171.7	0	0	0	0	110.6	N303 D307 E314	N303-V305 WeakPolarHBondContact OD1-CA 3.39Å; N303-V305 VanDerWaalsContact OD1-CB 3.24Å; N303-V305 WeakPolarHBondContact OD1-CB 3.4Å; N303-V305 PolarHBondContact OD1-N 2.68Å; N303-V305 PolarHBondContact OD1-O 2.03Å; V305-D307 VanDerWaalsContact C-N 3.28Å; V305-D307 PolarHBondContact O-N 3.48Å; V305-E314 WeakPolarHBondContact O-CG 3.27Å
306	D	79.1	Confident	77.8	Confident	56 Å²	56	57.3 Å²	57.3	30%	0.299	33%	0.326	S	S	.	.			trans	-76.4	79.8	169.1	177.4	30.7	0	0	0	110	G309 D310 F311	D306-G309 WeakPolarHBondContact OD1-CA 3.35Å; D306-G309 PolarHBondContact OD1-N 2.98Å; D306-G309 WeakPolarHBondContact OD2-CA 3.32Å; D306-D310 PolarHBondContact OD1-N 2.95Å; D306-F311 HydrophobicContact CB-CD1 4.1Å; D306-F311 HydrophobicContact CB-CD2 4.14Å; D306-F311 HydrophobicContact CB-CE1 3.88Å; D306-F311 HydrophobicContact CB-CE2 3.9Å; D306-F311 HydrophobicContact CB-CG 4.24Å; D306-F311 HydrophobicContact CB-CZ 3.77Å; D306-F311 PolarHBondContact OD1-N 2.62Å; D306-F311 VanDerWaalsContact OD2-CE2 3.24Å; D306-F311 WeakPolarHBondContact OD2-CE2 2.99Å
307	D	81.4	Confident	77.3	Confident	38 Å²	38	55.6 Å²	55.6	20%	0.203	32%	0.323	C	S	.	.	S	Bend	trans	-82.2	-20.9	177.9	-98.6	-40.9	0	0	0	112.3	R296 D300 N303 V305 D313	R296-D307 WeakPolarHBondContact CD-O 3.37Å; R296-D307 VanDerWaalsContact CZ-CB 3.44Å; R296-D307 IonicContact CZ-OD1 2.7Å; R296-D307 VanDerWaalsContact NH1-CG 3.35Å; R296-D307 PolarHBondContact NH1-O 2.93Å; R296-D307 IonicContact NH1-OD1 2.99Å; R296-D307 PolarHBondContact NH1-OD1 2.92Å; R296-D307 IonicContact NH2-OD1 2.84Å; R296-D307 PolarHBondContact NH2-OD1 3.43Å; R296-D307 IonicContact NH2-OD2 3.17Å; R296-D307 PolarHBondContact NH2-OD2 3.3Å; D300-D307 HydrophobicContact CB-CB 4.09Å; N303-D307 PolarHBondContact ND2-OD2 3.01Å; V305-D307 VanDerWaalsContact C-N 3.28Å; V305-D307 PolarHBondContact O-N 3.48Å; D307-D313 WeakPolarHBondContact CA-OD2 3.47Å; D307-D313 WeakPolarHBondContact CB-OD2 3.36Å; D307-D313 PolarHBondContact N-OD2 2.74Å
308	C	81.6	Confident	76.5	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.034	35%	0.347	C	S	.	.	S	Bend	trans	-77.3	-28.7	170.9	-75.2	0	0	0	0	112.8	C290 N292 D310 D313	C290-C308 HydrophobicContact CB-CB 3.65Å; C290-C308 WeakPolarHBondContact CB-SG 3.23Å; C290-C308 WeakPolarHBondContact SG-CA 3.5Å; C290-C308 WeakPolarHBondContact SG-CB 3.24Å; C290-C308 CovalentContact SG-SG 2.03Å; C290-C308 PolarHBondContact SG-SG 3.47Å; N292-C308 PolarHBondContact ND2-O 3.05Å; C308-D310 WeakPolarHBondContact CB-OD1 3.39Å; C308-D313 WeakPolarHBondContact CB-OD2 3.43Å; C308-D313 PolarHBondContact N-OD2 3.15Å
309	G	77.9	Confident	76	Confident	58 Å²	58	58.6 Å²	58.6	60%	0.598	34%	0.335	S	S	*	.	S	Bend	trans	73.2	17.5	-168.6	0	0	0	0	0	113.3	D306	D306-G309 WeakPolarHBondContact OD1-CA 3.35Å; D306-G309 PolarHBondContact OD1-N 2.98Å; D306-G309 WeakPolarHBondContact OD2-CA 3.32Å
310	D	81	Confident	75	Confident	55 Å²	55	61.3 Å²	61.3	29%	0.294	34%	0.338	S	S	.	.	S	Bend	trans	-150.2	8.5	179.4	73.7	10.3	0	0	0	114	N292 D306 C308 S312	N292-D310 WeakPolarHBondContact CB-OD2 3.05Å; N292-D310 PolarHBondContact N-OD2 2.94Å; N292-D310 PolarHBondContact ND2-OD2 3Å; D306-D310 PolarHBondContact OD1-N 2.95Å; C308-D310 WeakPolarHBondContact CB-OD1 3.39Å; D310-S312 VanDerWaalsContact C-N 3.26Å; D310-S312 PolarHBondContact O-N 3.01Å; D310-S312 WeakPolarHBondContact OD1-CB 3.06Å; D310-S312 PolarHBondContact OD1-N 3.37Å; D310-S312 PolarHBondContact OD1-OG 3.2Å; D310-S312 PolarHBondContact OD2-OG 2.86Å
311	F	75.7	Confident	73.9	Confident	124 Å²	124	65.6 Å²	65.6	54%	0.544	38%	0.376	S	S	.	.	S	Bend	trans	58.9	20.4	-178.6	-66.7	-99.5	0	0	0	116.1	D306 D313	D306-F311 HydrophobicContact CB-CD1 4.1Å; D306-F311 HydrophobicContact CB-CD2 4.14Å; D306-F311 HydrophobicContact CB-CE1 3.88Å; D306-F311 HydrophobicContact CB-CE2 3.9Å; D306-F311 HydrophobicContact CB-CG 4.24Å; D306-F311 HydrophobicContact CB-CZ 3.77Å; D306-F311 PolarHBondContact OD1-N 2.62Å; D306-F311 VanDerWaalsContact OD2-CE2 3.24Å; D306-F311 WeakPolarHBondContact OD2-CE2 2.99Å; F311-D313 VanDerWaalsContact C-N 3.31Å; F311-D313 VanDerWaalsContact CA-OD1 3.25Å; F311-D313 WeakPolarHBondContact CA-OD1 3.28Å
312	S	83.1	Confident	73	Confident	36 Å²	36	64 Å²	64	25%	0.252	38%	0.375	S	S	.	.	S	Bend	trans	-73	-21.6	176.7	-56.8	0	0	0	0	114.8	Q291 D310	Q291-S312 WeakPolarHBondContact CB-OG 3.39Å; Q291-S312 PolarHBondContact N-OG 3.3Å; Q291-S312 VanDerWaalsContact N-OG 3.14Å; D310-S312 VanDerWaalsContact C-N 3.26Å; D310-S312 PolarHBondContact O-N 3.01Å; D310-S312 WeakPolarHBondContact OD1-CB 3.06Å; D310-S312 PolarHBondContact OD1-N 3.37Å; D310-S312 PolarHBondContact OD1-OG 3.2Å; D310-S312 PolarHBondContact OD2-OG 2.86Å
313	D	78.7	Confident	72.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	37%	0.373	C	S	.	.	S	Bend	trans	-72.5	-48	173.2	35.9	14.1	0	0	0	112.7	F288 D300 R301 C302 D307 C308 F311 F315	F288-D313 HydrophobicContact CE2-CB 4.3Å; F288-D313 HydrophobicContact CZ-CB 3.85Å; D300-D313 WeakPolarHBondContact O-CB 3.34Å; R301-D313 WeakPolarHBondContact CG-O 3.07Å; C302-D313 PolarHBondContact N-O 3.13Å; D307-D313 WeakPolarHBondContact CA-OD2 3.47Å; D307-D313 WeakPolarHBondContact CB-OD2 3.36Å; D307-D313 PolarHBondContact N-OD2 2.74Å; C308-D313 WeakPolarHBondContact CB-OD2 3.43Å; C308-D313 PolarHBondContact N-OD2 3.15Å; F311-D313 VanDerWaalsContact C-N 3.31Å; F311-D313 VanDerWaalsContact CA-OD1 3.25Å; F311-D313 WeakPolarHBondContact CA-OD1 3.28Å; D313-F315 PolarHBondContact O-N 3.02Å
314	E	77.6	Confident	72.2	Confident	5 Å²	5	62.2 Å²	62.2	2%	0.023	36%	0.36	C	S	.	.	S	Bend	trans	-85.4	19.5	-178	-62.1	-58.6	111.4	0	0	112.4	C302 N303 G304 V305 L330	C302-E314 VanDerWaalsContact C-OE1 3.26Å; C302-E314 WeakPolarHBondContact CA-OE1 3.38Å; C302-E314 PolarHBondContact N-OE1 2.03Å; N303-E314 PolarHBondContact N-OE1 3.34Å; G304-E314 WeakPolarHBondContact CA-OE2 3.03Å; G304-E314 VanDerWaalsContact N-CD 3.26Å; G304-E314 PolarHBondContact N-OE1 3.42Å; G304-E314 PolarHBondContact N-OE2 3.05Å; V305-E314 WeakPolarHBondContact O-CG 3.27Å; E314-L330 HydrophobicContact CB-CD1 4.46Å; E314-L330 HydrophobicContact CG-CD1 4.45Å; E314-L330 VanDerWaalsContact OE2-CD1 3.29Å; E314-L330 WeakPolarHBondContact OE2-CD1 3.36Å
315	F	73	Confident	72.1	Confident	121 Å²	121	65.4 Å²	65.4	53%	0.531	38%	0.375	S	S	.	.	S	Bend	trans	-111	139.6	175.9	-121.3	-93.5	0	0	0	112.1	R301 D313 H329	R301-F315 PolarHBondContact NH2-O 2.04Å; D313-F315 PolarHBondContact O-N 3.02Å; F315-H329 AromaticContact CZ-CE1 3.91Å
316	D	68.7	Low	71.7	Confident	131 Å²	131	61.8 Å²	61.8	70%	0.701	35%	0.352	S	S	*	.	S	Bend	trans	62.2	51.9	179.8	-162	41.4	0	0	0	113.9	R301	R301-D316 PolarHBondContact NH1-O 3.4Å; R301-D316 PolarHBondContact NH2-O 2.92Å
317	C	69.9	Low	71	Confident	25 Å²	25	61.6 Å²	61.6	17%	0.169	35%	0.351	C	S	.	.			trans	-94.3	143.6	-177.7	-60.9	0	0	0	0	113	C302	C302-C317 VanDerWaalsContact CA-SG 3.55Å; C302-C317 HydrophobicContact CB-CB 3.72Å; C302-C317 WeakPolarHBondContact CB-SG 3.33Å; C302-C317 WeakPolarHBondContact SG-CA 3.43Å; C302-C317 WeakPolarHBondContact SG-CB 3.32Å; C302-C317 CovalentContact SG-SG 2.03Å; C302-C317 PolarHBondContact SG-SG 2.9Å
318	T	66.1	Low	69.9	Low	136 Å²	136	67.4 Å²	67.4	83%	0.834	38%	0.375	S	S	*	.			trans	-120.3	112.1	176.6	-59.7	0	0	0	0	108.7
319	C	65.8	Low	69	Low	40 Å²	40	70.8 Å²	70.8	27%	0.27	39%	0.39	S	S	.	.			trans	-75.7	153.8	-176	-44.9	0	0	0	0	112.7	Q323 C331	C319-Q323 HydrophobicContact CB-CB 4.15Å; C319-C331 WeakPolarHBondContact CA-SG 3.34Å; C319-C331 HydrophobicContact CB-CB 3.68Å; C319-C331 WeakPolarHBondContact CB-SG 3.33Å; C319-C331 PolarHBondContact N-SG 3.14Å; C319-C331 VanDerWaalsContact N-SG 3.4Å; C319-C331 VanDerWaalsContact SG-CA 3.6Å; C319-C331 WeakPolarHBondContact SG-CB 3.48Å; C319-C331 CovalentContact SG-SG 2.04Å; C319-C331 PolarHBondContact SG-SG 3.26Å
320	E	61	Low	68.2	Low	142 Å²	142	69.7 Å²	69.7	66%	0.664	37%	0.37	S	S	*	.			trans	-77	167.7	170	-59.9	-157.4	131.2	0	0	111.9	D322 Q323	E320-D322 VanDerWaalsContact C-N 3.33Å; E320-D322 PolarHBondContact O-N 3.41Å; E320-Q323 PolarHBondContact O-N 3.21Å
321	A	56.7	Low	67.4	Low	106 Å²	106	68.2 Å²	68.2	88%	0.876	36%	0.364	S	S	*	.	S	Bend	trans	-70.3	-23	-164.4	0	0	0	0	0	115.2
322	D	61.7	Low	66.6	Low	72 Å²	72	67.1 Å²	67.1	39%	0.385	36%	0.359	S	S	.	.	S	Bend	trans	-85.6	-28.1	175.9	65.4	-38.5	0	0	0	112.6	E320 A335 K358	E320-D322 VanDerWaalsContact C-N 3.33Å; E320-D322 PolarHBondContact O-N 3.41Å; D322-A335 PolarHBondContact O-N 2.73Å; D322-K358 PolarHBondContact O-NZ 3.43Å
323	Q	65.5	Low	65.7	Low	46 Å²	46	68.1 Å²	68.1	22%	0.215	36%	0.358	C	S	.	.			trans	-74.7	175.8	177.4	-65.5	168.9	3.7	0	0	112.7	C319 E320 Y333 K358	C319-Q323 HydrophobicContact CB-CB 4.15Å; E320-Q323 PolarHBondContact O-N 3.21Å; Q323-Y333 VanDerWaalsContact CA-O 3.29Å; Q323-Y333 WeakPolarHBondContact CA-O 3.39Å; Q323-K358 PolarHBondContact O-NZ 2.98Å
324	F	66.1	Low	65	Low	22 Å²	22	74.5 Å²	74.5	10%	0.096	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	164.6	164.9	67.8	-85.1	0	0	0	112.1	Y333 Y334 D337 W338 D350	F324-Y333 WeakPolarHBondContact CD1-O 3.2Å; F324-Y333 HydrophobicContact CZ-CG 4.49Å; F324-Y333 PolarHBondContact N-O 3.16Å; F324-Y334 WeakPolarHBondContact CE1-O 3.41Å; F324-D337 HydrophobicContact CE1-CB 4.18Å; F324-D337 HydrophobicContact CZ-CB 4.44Å; F324-W338 HydrophobicContact CD1-CB 4.33Å; F324-W338 HydrophobicContact CD1-CE3 4.38Å; F324-W338 AromaticContact CD2-CE3 3.97Å; F324-W338 HydrophobicContact CD2-CE3 3.97Å; F324-W338 HydrophobicContact CD2-CZ3 4.29Å; F324-W338 HydrophobicContact CE1-CB 3.96Å; F324-W338 HydrophobicContact CE1-CE3 4.45Å; F324-W338 HydrophobicContact CE2-CE3 4.07Å; F324-W338 HydrophobicContact CG-CE3 4.13Å; F324-W338 HydrophobicContact CZ-CB 4.48Å; F324-W338 HydrophobicContact CZ-CE3 4.31Å; F324-D350 HydrophobicContact CE2-CB 3.6Å; F324-D350 HydrophobicContact CZ-CB 3.6Å
325	L	67.3	Low	64.3	Low	79 Å²	79	75.5 Å²	75.5	41%	0.414	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	95.9	-169.7	-172.3	75.8	0	0	0	111.3	K328 H329	L325-K328 WeakPolarHBondContact CD2-O 3.38Å; L325-H329 VanDerWaalsContact CD1-C 3.49Å
326	C	68.1	Low	64	Low	0 Å²	0	73.4 Å²	73.4	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	157.1	166.9	-76.5	0	0	0	0	111.3	K328 H329 L330 Y333 C345	C326-K328 PolarHBondContact O-N 3.17Å; C326-H329 PolarHBondContact O-N 3.06Å; C326-H329 VanDerWaalsContact O-N 3.09Å; C326-L330 PolarHBondContact N-O 2.64Å; C326-L330 PolarHBondContact O-N 2.67Å; C326-Y333 HydrophobicContact CB-CD2 4.28Å; C326-Y333 HydrophobicContact CB-CE2 4.41Å; C326-Y333 WeakPolarHBondContact SG-CD2 3.06Å; C326-Y333 VanDerWaalsContact SG-CE2 3.58Å; C326-C345 VanDerWaalsContact CA-SG 3.54Å; C326-C345 HydrophobicContact CB-CB 3.75Å; C326-C345 WeakPolarHBondContact CB-SG 2.95Å; C326-C345 WeakPolarHBondContact SG-CA 3.46Å; C326-C345 WeakPolarHBondContact SG-CB 3.4Å; C326-C345 CovalentContact SG-SG 2.03Å; C326-C345 PolarHBondContact SG-SG 2.76Å
327	D	64.4	Low	64.2	Low	52 Å²	52	68.8 Å²	68.8	28%	0.278	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	26.3	163.7	-56.2	-51.3	0	0	0	113.5	H329 A346 D347	D327-H329 PolarHBondContact O-N 3.08Å; D327-H329 VanDerWaalsContact O-N 3.12Å; D327-A346 WeakPolarHBondContact OD1-CA 3.41Å; D327-A346 WeakPolarHBondContact OD1-CB 3.01Å; D327-A346 PolarHBondContact OD1-N 3.06Å; D327-A346 PolarHBondContact OD2-N 3.45Å; D327-D347 WeakPolarHBondContact CA-OD2 3.48Å; D327-D347 WeakPolarHBondContact OD1-CB 3.03Å; D327-D347 PolarHBondContact OD1-N 2.03Å
328	K	58.1	Low	64.4	Low	160 Å²	160	70.4 Å²	70.4	70%	0.696	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	-5.5	-173.8	-57.3	175.3	-176.9	172.3	0	117.4	L325 C326	L325-K328 WeakPolarHBondContact CD2-O 3.38Å; C326-K328 PolarHBondContact O-N 3.17Å
329	H	61.6	Low	65.1	Low	76 Å²	76	64.2 Å²	64.2	35%	0.352	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-16.2	-171.2	-63.4	-71.4	0	0	0	114.8	F315 L325 C326 D327	F315-H329 AromaticContact CZ-CE1 3.91Å; L325-H329 VanDerWaalsContact CD1-C 3.49Å; C326-H329 PolarHBondContact O-N 3.06Å; C326-H329 VanDerWaalsContact O-N 3.09Å; D327-H329 PolarHBondContact O-N 3.08Å; D327-H329 VanDerWaalsContact O-N 3.12Å
330	L	61.1	Low	65.5	Low	35 Å²	35	63.9 Å²	63.9	18%	0.183	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	109.7	-165.7	-131.2	71.1	0	0	0	112.8	E314 C326 K332	E314-L330 HydrophobicContact CB-CD1 4.46Å; E314-L330 HydrophobicContact CG-CD1 4.45Å; E314-L330 VanDerWaalsContact OE2-CD1 3.29Å; E314-L330 WeakPolarHBondContact OE2-CD1 3.36Å; C326-L330 PolarHBondContact N-O 2.64Å; C326-L330 PolarHBondContact O-N 2.67Å; L330-K332 HydrophobicContact CB-CB 4.41Å; L330-K332 HydrophobicContact CD2-CB 4.11Å; L330-K332 HydrophobicContact CD2-CD 3.51Å; L330-K332 HydrophobicContact CD2-CG 4.46Å; L330-K332 HydrophobicContact CG-CB 4.15Å; L330-K332 HydrophobicContact CG-CD 4.27Å; L330-K332 PolarHBondContact O-N 3.49Å
331	C	64.1	Low	66.1	Low	24 Å²	24	59.8 Å²	59.8	16%	0.162	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	49.9	176	-59.5	0	0	0	0	112.5	C319	C319-C331 WeakPolarHBondContact CA-SG 3.34Å; C319-C331 HydrophobicContact CB-CB 3.68Å; C319-C331 WeakPolarHBondContact CB-SG 3.33Å; C319-C331 PolarHBondContact N-SG 3.14Å; C319-C331 VanDerWaalsContact N-SG 3.4Å; C319-C331 VanDerWaalsContact SG-CA 3.6Å; C319-C331 WeakPolarHBondContact SG-CB 3.48Å; C319-C331 CovalentContact SG-SG 2.04Å; C319-C331 PolarHBondContact SG-SG 3.26Å
332	K	60.1	Low	67.2	Low	102 Å²	102	61.4 Å²	61.4	44%	0.443	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-14.2	-159.2	-170.3	158.9	-170.2	156.9	0	116	G304 L330	G304-K332 PolarHBondContact O-NZ 3.38Å; L330-K332 HydrophobicContact CB-CB 4.41Å; L330-K332 HydrophobicContact CD2-CB 4.11Å; L330-K332 HydrophobicContact CD2-CD 3.51Å; L330-K332 HydrophobicContact CD2-CG 4.46Å; L330-K332 HydrophobicContact CG-CB 4.15Å; L330-K332 HydrophobicContact CG-CD 4.27Å; L330-K332 PolarHBondContact O-N 3.49Å
333	Y	63	Low	68.2	Low	56 Å²	56	65 Å²	65	22%	0.22	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	-164.5	-68.4	-76.4	0	0	0	112.9	Q323 F324 C326 D337 N344	Q323-Y333 VanDerWaalsContact CA-O 3.29Å; Q323-Y333 WeakPolarHBondContact CA-O 3.39Å; F324-Y333 WeakPolarHBondContact CD1-O 3.2Å; F324-Y333 HydrophobicContact CZ-CG 4.49Å; F324-Y333 PolarHBondContact N-O 3.16Å; C326-Y333 HydrophobicContact CB-CD2 4.28Å; C326-Y333 HydrophobicContact CB-CE2 4.41Å; C326-Y333 WeakPolarHBondContact SG-CD2 3.06Å; C326-Y333 VanDerWaalsContact SG-CE2 3.58Å; Y333-D337 HydrophobicContact CD1-CB 4Å; Y333-D337 HydrophobicContact CG-CB 4.27Å; Y333-N344 HydrophobicContact CD1-CB 4.06Å; Y333-N344 HydrophobicContact CE1-CB 3.79Å; Y333-N344 HydrophobicContact CE2-CB 4.47Å; Y333-N344 VanDerWaalsContact CZ-O 3.27Å; Y333-N344 PolarHBondContact OH-O 3.2Å
334	Y	64.1	Low	68.6	Low	134 Å²	134	64.8 Å²	64.8	53%	0.525	32%	0.321	S	S	.	.			trans	-87.5	174.5	-174.3	-62.6	-80.4	0	0	0	111.8	F324 T336 D337	F324-Y334 WeakPolarHBondContact CE1-O 3.41Å; Y334-T336 PolarHBondContact O-N 3.35Å; Y334-T336 VanDerWaalsContact O-N 3.11Å; Y334-D337 WeakPolarHBondContact O-CB 3.48Å; Y334-D337 PolarHBondContact O-N 3.05Å
335	A	63.3	Low	69.1	Low	26 Å²	26	64 Å²	64	22%	0.215	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-52.3	-33.8	175.9	0	0	0	0	0	114	D322 D337 W338 K358 Q361	D322-A335 PolarHBondContact O-N 2.73Å; A335-D337 PolarHBondContact O-N 2.96Å; A335-W338 PolarHBondContact O-N 3.21Å; A335-K358 HydrophobicContact CB-CB 4.47Å; A335-K358 HydrophobicContact CB-CD 3.79Å; A335-Q361 PolarHBondContact O-NE2 3.44Å
336	T	66.8	Low	69.2	Low	77 Å²	77	64.8 Å²	64.8	47%	0.472	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14.4	177.5	45.2	0	0	0	0	115	Y334 N340	Y334-T336 PolarHBondContact O-N 3.35Å; Y334-T336 VanDerWaalsContact O-N 3.11Å; T336-N340 PolarHBondContact O-ND2 2.77Å
337	D	73.7	Confident	69.6	Low	35 Å²	35	68.2 Å²	68.2	19%	0.187	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-100	5.6	-179.1	-69.1	-62	0	0	0	113	F324 Y333 Y334 A335 N340 N344	F324-D337 HydrophobicContact CE1-CB 4.18Å; F324-D337 HydrophobicContact CZ-CB 4.44Å; Y333-D337 HydrophobicContact CD1-CB 4Å; Y333-D337 HydrophobicContact CG-CB 4.27Å; Y334-D337 WeakPolarHBondContact O-CB 3.48Å; Y334-D337 PolarHBondContact O-N 3.05Å; A335-D337 PolarHBondContact O-N 2.96Å; D337-N340 WeakPolarHBondContact CA-ND2 3.49Å; D337-N344 VanDerWaalsContact CB-ND2 3.35Å; D337-N344 WeakPolarHBondContact CB-ND2 3.26Å; D337-N344 PolarHBondContact OD1-ND2 2.02Å
338	W	73.2	Confident	70	Confident	58 Å²	58	66.1 Å²	66.1	22%	0.22	35%	0.345	C	S	.	.	S	Bend	trans	-103.2	117.8	178.6	174.7	-95.1	0	0	0	110.6	F324 A335 T349 P352 Q356	F324-W338 HydrophobicContact CD1-CB 4.33Å; F324-W338 HydrophobicContact CD1-CE3 4.38Å; F324-W338 AromaticContact CD2-CE3 3.97Å; F324-W338 HydrophobicContact CD2-CE3 3.97Å; F324-W338 HydrophobicContact CD2-CZ3 4.29Å; F324-W338 HydrophobicContact CE1-CB 3.96Å; F324-W338 HydrophobicContact CE1-CE3 4.45Å; F324-W338 HydrophobicContact CE2-CE3 4.07Å; F324-W338 HydrophobicContact CG-CE3 4.13Å; F324-W338 HydrophobicContact CZ-CB 4.48Å; F324-W338 HydrophobicContact CZ-CE3 4.31Å; A335-W338 PolarHBondContact O-N 3.21Å; W338-T349 WeakPolarHBondContact CZ3-O 3.22Å; W338-P352 HydrophobicContact CH2-CG 3.98Å; W338-P352 HydrophobicContact CZ2-CG 4.04Å; W338-Q356 PolarHBondContact NE1-O 3.22Å
339	C	80.5	Confident	71.1	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.041	33%	0.33	C	S	.	.	S	Bend	trans	48	57.9	-174.5	-161.6	0	0	0	0	114.9	D350 E351 C355 C369	C339-D350 PolarHBondContact N-O 3.19Å; C339-D350 VanDerWaalsContact N-O 3.1Å; C339-E351 VanDerWaalsContact CA-OE1 3.26Å; C339-E351 WeakPolarHBondContact CA-OE1 2.96Å; C339-C355 HydrophobicContact CB-CB 3.62Å; C339-C355 WeakPolarHBondContact CB-SG 2.98Å; C339-C355 WeakPolarHBondContact SG-CB 3.39Å; C339-C355 CovalentContact SG-SG 2.02Å; C339-C355 PolarHBondContact SG-SG 3.46Å; C339-C369 WeakPolarHBondContact O-CB 3.32Å; C339-C369 PolarHBondContact O-N 2.82Å
340	N	74.4	Confident	71.8	Confident	33 Å²	33	57.9 Å²	57.9	18%	0.176	31%	0.314	C	S	.	.	S	Bend	trans	-104.9	8.1	173.2	72.9	23.3	0	0	0	112.7	T336 D337 K342 N344 E351	T336-N340 PolarHBondContact O-ND2 2.77Å; D337-N340 WeakPolarHBondContact CA-ND2 3.49Å; N340-K342 VanDerWaalsContact OD1-CB 3.24Å; N340-K342 WeakPolarHBondContact OD1-CB 3.17Å; N340-K342 PolarHBondContact OD1-N 2.94Å; N340-N344 PolarHBondContact ND2-ND2 3Å; N340-E351 PolarHBondContact N-OE1 3.41Å
341	G	74.9	Confident	72.7	Confident	57 Å²	57	58 Å²	58	59%	0.588	31%	0.313	S	S	*	.	S	Bend	trans	83.9	10.2	-178.3	0	0	0	0	0	114.4	E351	G341-E351 WeakPolarHBondContact CA-OE1 3.37Å; G341-E351 PolarHBondContact N-OE1 2.77Å
342	K	80	Confident	73.3	Confident	139 Å²	139	59.1 Å²	59.1	60%	0.604	32%	0.32	S	S	*	.	S	Bend	trans	-133	129.6	-176	-53.6	167.5	-172.2	158.5	0	110.7	N340 N344 E351	N340-K342 VanDerWaalsContact OD1-CB 3.24Å; N340-K342 WeakPolarHBondContact OD1-CB 3.17Å; N340-K342 PolarHBondContact OD1-N 2.94Å; K342-N344 PolarHBondContact O-N 2.97Å; K342-E351 PolarHBondContact N-OE1 2.78Å; K342-E351 VanDerWaalsContact N-OE1 3.14Å
343	K	81.3	Confident	73.8	Confident	147 Å²	147	63.1 Å²	63.1	64%	0.639	35%	0.346	S	S	*	.			trans	-76.5	92.7	174	-63.8	-163.2	171.6	-133.7	0	111.2	D350 E351	K343-D350 WeakPolarHBondContact CA-OD2 3.01Å; K343-E351 HydrophobicContact CG-CB 4.22Å; K343-E351 HydrophobicContact CG-CG 4.11Å
344	N	75.4	Confident	74.4	Confident	43 Å²	43	70.6 Å²	70.6	23%	0.23	37%	0.374	C	S	.	.			trans	-79.5	-37.6	168.8	-70.8	-35.5	0	0	0	112.2	Y333 D337 N340 K342 D350	Y333-N344 HydrophobicContact CD1-CB 4.06Å; Y333-N344 HydrophobicContact CE1-CB 3.79Å; Y333-N344 HydrophobicContact CE2-CB 4.47Å; Y333-N344 VanDerWaalsContact CZ-O 3.27Å; Y333-N344 PolarHBondContact OH-O 3.2Å; D337-N344 VanDerWaalsContact CB-ND2 3.35Å; D337-N344 WeakPolarHBondContact CB-ND2 3.26Å; D337-N344 PolarHBondContact OD1-ND2 2.02Å; N340-N344 PolarHBondContact ND2-ND2 3Å; K342-N344 PolarHBondContact O-N 2.97Å; N344-D350 WeakPolarHBondContact CA-OD2 3.15Å; N344-D350 VanDerWaalsContact CB-OD2 3.31Å; N344-D350 WeakPolarHBondContact CB-OD2 3.49Å; N344-D350 PolarHBondContact N-OD2 3.39Å
345	C	74.8	Confident	74.8	Confident	5 Å²	5	65.8 Å²	65.8	3%	0.034	36%	0.36	C	S	.	.	S	Bend	trans	-71.3	147.2	169.8	-61.6	0	0	0	0	110.9	C326 D347 G348 T349 D350	C326-C345 VanDerWaalsContact CA-SG 3.54Å; C326-C345 HydrophobicContact CB-CB 3.75Å; C326-C345 WeakPolarHBondContact CB-SG 2.95Å; C326-C345 WeakPolarHBondContact SG-CA 3.46Å; C326-C345 WeakPolarHBondContact SG-CB 3.4Å; C326-C345 CovalentContact SG-SG 2.03Å; C326-C345 PolarHBondContact SG-SG 2.76Å; C345-D347 WeakPolarHBondContact CB-OD1 3.47Å; C345-G348 PolarHBondContact O-N 2.62Å; C345-T349 PolarHBondContact SG-OG1 2.96Å; C345-D350 HydrophobicContact CB-CB 4.42Å; C345-D350 WeakPolarHBondContact CB-OD1 3.19Å; C345-D350 PolarHBondContact N-OD2 2.78Å; C345-D350 VanDerWaalsContact SG-CB 3.59Å; C345-D350 PolarHBondContact SG-N 2.9Å; C345-D350 VanDerWaalsContact SG-N 3.41Å
346	A	71	Confident	75.3	Confident	95 Å²	95	71.6 Å²	71.6	79%	0.785	38%	0.382	S	S	*	.	S	Bend	trans	-72.4	-31	175.7	0	0	0	0	0	112.6	D327	D327-A346 WeakPolarHBondContact OD1-CA 3.41Å; D327-A346 WeakPolarHBondContact OD1-CB 3.01Å; D327-A346 PolarHBondContact OD1-N 3.06Å; D327-A346 PolarHBondContact OD2-N 3.45Å
347	D	76	Confident	75.9	Confident	73 Å²	73	69.7 Å²	69.7	39%	0.39	37%	0.372	S	S	.	.	S	Bend	trans	-85.1	-13.3	170.9	72.6	0.6	0	0	0	114.2	D327 C345 T349	D327-D347 WeakPolarHBondContact CA-OD2 3.48Å; D327-D347 WeakPolarHBondContact OD1-CB 3.03Å; D327-D347 PolarHBondContact OD1-N 2.03Å; C345-D347 WeakPolarHBondContact CB-OD1 3.47Å; D347-T349 WeakPolarHBondContact OD1-CB 3.45Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.28Å; D347-T349 PolarHBondContact OD1-N 2.75Å; D347-T349 PolarHBondContact OD1-OG1 2.89Å; D347-T349 WeakPolarHBondContact OD2-CG2 3.46Å
348	G	73	Confident	75.9	Confident	8 Å²	8	70.1 Å²	70.1	8%	0.082	37%	0.372	C	S	.	.			trans	75.8	27.9	-179.9	0	0	0	0	0	115.3	C345 D350 E351	C345-G348 PolarHBondContact O-N 2.62Å; G348-D350 VanDerWaalsContact C-N 3.27Å; G348-D350 WeakPolarHBondContact CA-OD1 3.39Å; G348-D350 PolarHBondContact O-N 3.49Å; G348-E351 PolarHBondContact O-N 3.11Å
349	T	81.4	Confident	76	Confident	63 Å²	63	73.8 Å²	73.8	39%	0.387	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.9	177.9	40.8	0	0	0	0	115.5	W338 C345 D347	W338-T349 WeakPolarHBondContact CZ3-O 3.22Å; C345-T349 PolarHBondContact SG-OG1 2.96Å; D347-T349 WeakPolarHBondContact OD1-CB 3.45Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.28Å; D347-T349 PolarHBondContact OD1-N 2.75Å; D347-T349 PolarHBondContact OD1-OG1 2.89Å; D347-T349 WeakPolarHBondContact OD2-CG2 3.46Å
350	D	76.2	Confident	75.7	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.1	170.5	53.1	-26.3	0	0	0	114.9	F324 C339 K343 N344 C345 G348 P352	F324-D350 HydrophobicContact CE2-CB 3.6Å; F324-D350 HydrophobicContact CZ-CB 3.6Å; C339-D350 PolarHBondContact N-O 3.19Å; C339-D350 VanDerWaalsContact N-O 3.1Å; K343-D350 WeakPolarHBondContact CA-OD2 3.01Å; N344-D350 WeakPolarHBondContact CA-OD2 3.15Å; N344-D350 VanDerWaalsContact CB-OD2 3.31Å; N344-D350 WeakPolarHBondContact CB-OD2 3.49Å; N344-D350 PolarHBondContact N-OD2 3.39Å; C345-D350 HydrophobicContact CB-CB 4.42Å; C345-D350 WeakPolarHBondContact CB-OD1 3.19Å; C345-D350 PolarHBondContact N-OD2 2.78Å; C345-D350 VanDerWaalsContact SG-CB 3.59Å; C345-D350 PolarHBondContact SG-N 2.9Å; C345-D350 VanDerWaalsContact SG-N 3.41Å; G348-D350 VanDerWaalsContact C-N 3.27Å; G348-D350 WeakPolarHBondContact CA-OD1 3.39Å; G348-D350 PolarHBondContact O-N 3.49Å; D350-P352 WeakPolarHBondContact O-CD 2.99Å
351	E	78.7	Confident	76	Confident	37 Å²	37	75.3 Å²	75.3	17%	0.173	42%	0.42	C	S	.	.	S	Bend	trans	-116.8	68.3	-176.5	-70.8	-67.4	157	0	0	110.9	C339 N340 G341 K342 K343 G348	C339-E351 VanDerWaalsContact CA-OE1 3.26Å; C339-E351 WeakPolarHBondContact CA-OE1 2.96Å; N340-E351 PolarHBondContact N-OE1 3.41Å; G341-E351 WeakPolarHBondContact CA-OE1 3.37Å; G341-E351 PolarHBondContact N-OE1 2.77Å; K342-E351 PolarHBondContact N-OE1 2.78Å; K342-E351 VanDerWaalsContact N-OE1 3.14Å; K343-E351 HydrophobicContact CG-CB 4.22Å; K343-E351 HydrophobicContact CG-CG 4.11Å; G348-E351 PolarHBondContact O-N 3.11Å
352	P	76.8	Confident	76.5	Confident	47 Å²	47	76.1 Å²	76.1	31%	0.305	41%	0.406	S	S	.	.			trans	-75.5	147.7	-179.7	31.8	-36.2	0	0	0	112.3	W338 D350 R354 C355	W338-P352 HydrophobicContact CH2-CG 3.98Å; W338-P352 HydrophobicContact CZ2-CG 4.04Å; D350-P352 WeakPolarHBondContact O-CD 2.99Å; P352-R354 PolarHBondContact O-N 3.22Å; P352-C355 PolarHBondContact O-N 2.8Å
353	D	72.2	Confident	76.9	Confident	186 Å²	186	74.6 Å²	74.6	100%	0.995	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-9.6	175.9	-77.2	-18.4	0	0	0	116
354	R	74.2	Confident	77.2	Confident	214 Å²	214	67.6 Å²	67.6	81%	0.808	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.5	65.5	-179.3	-159.3	178.9	-170.3	-165.9	1.5	112.4	P352	P352-R354 PolarHBondContact O-N 3.22Å
355	C	72	Confident	77.7	Confident	33 Å²	33	71.6 Å²	71.6	22%	0.223	39%	0.39	C	S	.	.			trans	-46.6	145	175.7	-63.6	0	0	0	0	114.7	C339 P352	C339-C355 HydrophobicContact CB-CB 3.62Å; C339-C355 WeakPolarHBondContact CB-SG 2.98Å; C339-C355 WeakPolarHBondContact SG-CB 3.39Å; C339-C355 CovalentContact SG-SG 2.02Å; C339-C355 PolarHBondContact SG-SG 3.46Å; P352-C355 PolarHBondContact O-N 2.8Å
356	Q	75.7	Confident	78.1	Confident	147 Å²	147	75.3 Å²	75.3	69%	0.687	41%	0.41	S	S	*	.			trans	-140.4	121.8	166.2	-63.6	176.9	29.9	0	0	106.3	W338	W338-Q356 PolarHBondContact NE1-O 3.22Å
357	C	78.3	Confident	78.7	Confident	37 Å²	37	71.7 Å²	71.7	25%	0.25	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-68.2	148.5	-178.7	-49.9	0	0	0	0	111.3	Q361 C369	C357-Q361 HydrophobicContact CB-CB 3.84Å; C357-C369 WeakPolarHBondContact CA-SG 3.33Å; C357-C369 HydrophobicContact CB-CB 3.78Å; C357-C369 WeakPolarHBondContact CB-SG 3.4Å; C357-C369 WeakPolarHBondContact SG-CB 3.31Å; C357-C369 CovalentContact SG-SG 2.04Å; C357-C369 PolarHBondContact SG-SG 3.08Å
358	K	73.7	Confident	79.2	Confident	45 Å²	45	69.2 Å²	69.2	20%	0.196	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-73.6	161	172.2	-67.2	-164.6	-178	-168.7	0	110.1	D322 Q323 A335 Q361	D322-K358 PolarHBondContact O-NZ 3.43Å; Q323-K358 PolarHBondContact O-NZ 2.98Å; A335-K358 HydrophobicContact CB-CB 4.47Å; A335-K358 HydrophobicContact CB-CD 3.79Å; K358-Q361 WeakPolarHBondContact O-CB 3.46Å; K358-Q361 PolarHBondContact O-N 3.21Å
359	P	75.5	Confident	79.8	Confident	134 Å²	134	69.1 Å²	69.1	87%	0.87	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	141.7	171.3	-23.8	34.7	0	0	0	111.7
360	G	73.5	Confident	80.1	Confident	43 Å²	43	66.7 Å²	66.7	44%	0.443	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	11.6	-173.1	0	0	0	0	0	114.8	E372	G360-E372 WeakPolarHBondContact CA-OE2 2.93Å; G360-E372 WeakPolarHBondContact O-CB 2.98Å; G360-E372 PolarHBondContact O-N 3.5Å
361	Q	82.2	Confident	80.5	Confident	29 Å²	29	68.2 Å²	68.2	14%	0.136	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.6	174	-66.2	179.7	-49.5	0	0	111.5	A335 C357 K358 C369 I370	A335-Q361 PolarHBondContact O-NE2 3.44Å; C357-Q361 HydrophobicContact CB-CB 3.84Å; K358-Q361 WeakPolarHBondContact O-CB 3.46Å; K358-Q361 PolarHBondContact O-N 3.21Å; Q361-C369 HydrophobicContact CB-CB 4.44Å; Q361-I370 CarbonylContact C-O 3.58Å; Q361-I370 WeakPolarHBondContact CA-O 3.3Å; Q361-I370 WeakPolarHBondContact CB-O 3.41Å
362	Y	85	Confident	80.7	Confident	74 Å²	74	72.6 Å²	72.6	29%	0.29	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	147.8	164.9	-176.7	-85.6	0	0	0	109.6	C369 I370 A375 S386 D387	Y362-C369 WeakPolarHBondContact O-CA 3.05Å; Y362-I370 HydrophobicContact CD1-CD1 4.28Å; Y362-I370 HydrophobicContact CD1-CG1 4.18Å; Y362-I370 PolarHBondContact N-O 2.03Å; Y362-I370 PolarHBondContact O-N 3.2Å; Y362-A375 HydrophobicContact CD1-CB 4.33Å; Y362-A375 HydrophobicContact CD2-CB 3.43Å; Y362-A375 VanDerWaalsContact CD2-CB 3.43Å; Y362-A375 HydrophobicContact CE2-CB 3.87Å; Y362-A375 HydrophobicContact CG-CB 3.68Å; Y362-S386 PolarHBondContact OH-O 3.34Å; Y362-D387 HydrophobicContact CE1-CB 4.49Å
363	K	87.7	Confident	81	Confident	107 Å²	107	76.7 Å²	76.7	47%	0.465	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.3	178.3	-172.3	-156	166.6	-75.8	0	110.2	D365 T368	K363-D365 PolarHBondContact NZ-O 2.03Å; K363-T368 WeakPolarHBondContact CA-O 3.27Å
364	C	88.2	Confident	81.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.368	C	S	.	.			trans	-61.4	154.9	171	-50.1	0	0	0	0	111.6	D366 G367 T368 C382 S386	C364-D366 VanDerWaalsContact C-N 3.29Å; C364-D366 VanDerWaalsContact CB-OD1 3.31Å; C364-D366 WeakPolarHBondContact CB-OD1 3.43Å; C364-D366 PolarHBondContact O-N 3.08Å; C364-G367 PolarHBondContact O-N 3.14Å; C364-T368 WeakPolarHBondContact CB-O 3.23Å; C364-T368 PolarHBondContact N-O 3.5Å; C364-T368 PolarHBondContact SG-O 2.75Å; C364-C382 VanDerWaalsContact CA-SG 3.59Å; C364-C382 HydrophobicContact CB-CB 3.78Å; C364-C382 WeakPolarHBondContact CB-SG 3.36Å; C364-C382 WeakPolarHBondContact SG-CA 3.32Å; C364-C382 WeakPolarHBondContact SG-CB 3.38Å; C364-C382 CovalentContact SG-SG 2.03Å; C364-C382 PolarHBondContact SG-SG 3.07Å; C364-S386 WeakPolarHBondContact CA-OG 3.06Å; C364-S386 WeakPolarHBondContact CB-OG 3.06Å
365	D	85.9	Confident	82.3	Confident	126 Å²	126	63.6 Å²	63.6	67%	0.674	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-39.3	178	-89.9	-37	0	0	0	111.5	K363 G367 D384 S386	K363-D365 PolarHBondContact NZ-O 2.03Å; D365-G367 PolarHBondContact O-N 2.74Å; D365-D384 WeakPolarHBondContact CB-OD2 3.44Å; D365-D384 PolarHBondContact N-OD2 3.29Å; D365-S386 PolarHBondContact N-OG 3.23Å
366	D	83.9	Confident	82.8	Confident	83 Å²	83	65.1 Å²	65.1	44%	0.444	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.9	176.8	76.2	-2.3	0	0	0	114.9	C364 T368 P383 D384	C364-D366 VanDerWaalsContact C-N 3.29Å; C364-D366 VanDerWaalsContact CB-OD1 3.31Å; C364-D366 WeakPolarHBondContact CB-OD1 3.43Å; C364-D366 PolarHBondContact O-N 3.08Å; D366-T368 VanDerWaalsContact OD1-CB 3.25Å; D366-T368 WeakPolarHBondContact OD1-CB 3.02Å; D366-T368 PolarHBondContact OD1-N 3.16Å; D366-T368 PolarHBondContact OD1-OG1 3.14Å; D366-T368 PolarHBondContact OD2-OG1 2.92Å; D366-P383 WeakPolarHBondContact OD2-CB 3.32Å; D366-P383 WeakPolarHBondContact OD2-CG 3.08Å; D366-D384 HydrophobicContact CB-CB 4.41Å; D366-D384 WeakPolarHBondContact CB-OD2 3.49Å; D366-D384 PolarHBondContact N-OD2 3.4Å
367	G	83.7	Confident	83.2	Confident	20 Å²	20	61.3 Å²	61.3	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	127.5	-22.7	-177	0	0	0	0	0	115.3	C364 D365	C364-G367 PolarHBondContact O-N 3.14Å; D365-G367 PolarHBondContact O-N 2.74Å
368	T	84.8	Confident	83.1	Confident	20 Å²	20	67.9 Å²	67.9	12%	0.123	35%	0.353	C	S	.	.			trans	-65.8	148	-172.9	-48.2	0	0	0	0	112.1	K363 C364 D366 P383	K363-T368 WeakPolarHBondContact CA-O 3.27Å; C364-T368 WeakPolarHBondContact CB-O 3.23Å; C364-T368 PolarHBondContact N-O 3.5Å; C364-T368 PolarHBondContact SG-O 2.75Å; D366-T368 VanDerWaalsContact OD1-CB 3.25Å; D366-T368 WeakPolarHBondContact OD1-CB 3.02Å; D366-T368 PolarHBondContact OD1-N 3.16Å; D366-T368 PolarHBondContact OD1-OG1 3.14Å; D366-T368 PolarHBondContact OD2-OG1 2.92Å; T368-P383 HydrophobicContact CG2-CG 4.36Å
369	C	87.1	Confident	83.6	Confident	6 Å²	6	68.2 Å²	68.2	4%	0.041	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	176.7	-57.8	0	0	0	0	111	C339 C357 Q361 Y362	C339-C369 WeakPolarHBondContact O-CB 3.32Å; C339-C369 PolarHBondContact O-N 2.82Å; C357-C369 WeakPolarHBondContact CA-SG 3.33Å; C357-C369 HydrophobicContact CB-CB 3.78Å; C357-C369 WeakPolarHBondContact CB-SG 3.4Å; C357-C369 WeakPolarHBondContact SG-CB 3.31Å; C357-C369 CovalentContact SG-SG 2.04Å; C357-C369 PolarHBondContact SG-SG 3.08Å; Q361-C369 HydrophobicContact CB-CB 4.44Å; Y362-C369 WeakPolarHBondContact O-CA 3.05Å
370	I	86.1	Confident	84	Confident	12 Å²	12	68 Å²	68	6%	0.062	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	159.9	173.7	67.1	171.2	0	0	0	110.5	Q361 Y362 R374 D381 D387	Q361-I370 CarbonylContact C-O 3.58Å; Q361-I370 WeakPolarHBondContact CA-O 3.3Å; Q361-I370 WeakPolarHBondContact CB-O 3.41Å; Y362-I370 HydrophobicContact CD1-CD1 4.28Å; Y362-I370 HydrophobicContact CD1-CG1 4.18Å; Y362-I370 PolarHBondContact N-O 2.03Å; Y362-I370 PolarHBondContact O-N 3.2Å; I370-R374 HydrophobicContact CD1-CB 4.05Å; I370-R374 VanDerWaalsContact CD1-O 3.31Å; I370-R374 WeakPolarHBondContact CD1-O 3.31Å; I370-D381 HydrophobicContact CD1-CB 4.37Å; I370-D387 HydrophobicContact CD1-CB 3.8Å
371	P	85.6	Confident	84.7	Confident	32 Å²	32	68.3 Å²	68.3	21%	0.208	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	141	173.9	-21.5	33.9	0	0	0	111.7	H373 R374	P371-H373 WeakPolarHBondContact CB-CE1 3.36Å; P371-H373 PolarHBondContact O-N 2.81Å; P371-R374 PolarHBondContact O-N 2.77Å
372	E	83.5	Confident	84.9	Confident	130 Å²	130	67 Å²	67	61%	0.607	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-59.7	-22.3	-176.9	-175.6	171.3	-167.5	0	0	114	G360 R374	G360-E372 WeakPolarHBondContact CA-OE2 2.93Å; G360-E372 WeakPolarHBondContact O-CB 2.98Å; G360-E372 PolarHBondContact O-N 3.5Å; E372-R374 VanDerWaalsContact C-N 3.27Å; E372-R374 PolarHBondContact O-N 2.81Å
373	H	83.2	Confident	84.9	Confident	132 Å²	132	68.2 Å²	68.2	61%	0.611	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-76.4	-6.6	174.6	68.6	-105.5	0	0	0	114.8	P371	P371-H373 WeakPolarHBondContact CB-CE1 3.36Å; P371-H373 PolarHBondContact O-N 2.81Å
374	R	87.3	Confident	84.7	Confident	101 Å²	101	65.5 Å²	65.5	38%	0.381	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-105.6	17.6	176.4	-58	-160.5	-173.3	-168.7	-7.1	113.5	I370 P371 E372 D381	I370-R374 HydrophobicContact CD1-CB 4.05Å; I370-R374 VanDerWaalsContact CD1-O 3.31Å; I370-R374 WeakPolarHBondContact CD1-O 3.31Å; P371-R374 PolarHBondContact O-N 2.77Å; E372-R374 VanDerWaalsContact C-N 3.27Å; E372-R374 PolarHBondContact O-N 2.81Å; R374-D381 HydrophobicContact CB-CB 4.35Å; R374-D381 WeakPolarHBondContact CD-OD1 3.3Å; R374-D381 IonicContact CZ-OD1 3.64Å; R374-D381 IonicContact NE-OD1 3.32Å; R374-D381 IonicContact NH1-OD1 2.84Å; R374-D381 PolarHBondContact NH1-OD1 3.19Å
375	A	86.2	Confident	84.5	Confident	25 Å²	25	65.8 Å²	65.8	21%	0.207	35%	0.348	C	S	.	.	S	Bend	trans	-102	122.6	167.6	0	0	0	0	0	108.2	Y362	Y362-A375 HydrophobicContact CD1-CB 4.33Å; Y362-A375 HydrophobicContact CD2-CB 3.43Å; Y362-A375 VanDerWaalsContact CD2-CB 3.43Å; Y362-A375 HydrophobicContact CE2-CB 3.87Å; Y362-A375 HydrophobicContact CG-CB 3.68Å
376	C	81.9	Confident	84.6	Confident	64 Å²	64	60 Å²	60	43%	0.432	32%	0.317	S	S	.	.	S	Bend	trans	64.3	37.3	-173.4	-53.1	0	0	0	0	113.9	E388 C391	C376-E388 WeakPolarHBondContact CA-OE1 3.29Å; C376-E388 PolarHBondContact N-OE1 3.2Å; C376-C391 WeakPolarHBondContact CA-SG 3.26Å; C376-C391 HydrophobicContact CB-CB 3.75Å; C376-C391 WeakPolarHBondContact CB-SG 3.19Å; C376-C391 WeakPolarHBondContact SG-CA 3.28Å; C376-C391 WeakPolarHBondContact SG-CB 3.18Å; C376-C391 CovalentContact SG-SG 2.03Å; C376-C391 PolarHBondContact SG-SG 2.95Å
377	D	83.8	Confident	84.7	Confident	68 Å²	68	56 Å²	56	36%	0.364	30%	0.295	S	S	.	.	S	Bend	trans	-97	-1.9	174.1	84.9	-2	0	0	0	113.7	S379 E388	D377-S379 VanDerWaalsContact C-N 3.33Å; D377-S379 WeakPolarHBondContact OD1-CA 3.46Å; D377-S379 WeakPolarHBondContact OD1-CB 3.32Å; D377-S379 PolarHBondContact OD1-N 2.9Å; D377-E388 PolarHBondContact N-OE1 3.03Å
378	R	75.3	Confident	84.7	Confident	175 Å²	175	56.2 Å²	56.2	66%	0.66	29%	0.291	S	S	*	.	S	Bend	trans	74.1	12.4	-177.1	-44.4	178.4	-168.6	149.7	2.5	115	E388 E397	R378-E388 WeakPolarHBondContact CA-OE2 3.12Å; R378-E388 VanDerWaalsContact N-CD 3.34Å; R378-E388 PolarHBondContact N-OE1 3.18Å; R378-E388 PolarHBondContact N-OE2 3.39Å; R378-E397 IonicContact CZ-OE1 3.6Å; R378-E397 VanDerWaalsContact CZ-OE1 3.29Å; R378-E397 IonicContact NE-OE1 2.7Å; R378-E397 IonicContact NH2-OE1 3.31Å; R378-E397 PolarHBondContact NH2-OE1 2.03Å
379	S	84.2	Confident	84.2	Confident	51 Å²	51	61.1 Å²	61.1	36%	0.357	31%	0.307	S	S	.	.	S	Bend	trans	-99.6	155.1	164.8	-173.2	0	0	0	0	110.8	D377 D381 E388	D377-S379 VanDerWaalsContact C-N 3.33Å; D377-S379 WeakPolarHBondContact OD1-CA 3.46Å; D377-S379 WeakPolarHBondContact OD1-CB 3.32Å; D377-S379 PolarHBondContact OD1-N 2.9Å; S379-D381 VanDerWaalsContact CB-OD2 3.24Å; S379-D381 WeakPolarHBondContact CB-OD2 3.45Å; S379-D381 PolarHBondContact OG-OD2 2.86Å; S379-E388 WeakPolarHBondContact O-CG 3.34Å
380	I	85.2	Confident	83.4	Confident	129 Å²	129	67.9 Å²	67.9	66%	0.662	34%	0.338	S	S	*	.			trans	-97.9	100	169.5	-64.1	177.1	0	0	0	107.6
381	D	86.9	Confident	82.9	Confident	51 Å²	51	68 Å²	68	27%	0.273	34%	0.34	S	S	.	.			trans	-112.1	-28.1	-175.1	-95	-105.4	0	0	0	112.5	I370 R374 S379 D387	I370-D381 HydrophobicContact CD1-CB 4.37Å; R374-D381 HydrophobicContact CB-CB 4.35Å; R374-D381 WeakPolarHBondContact CD-OD1 3.3Å; R374-D381 IonicContact CZ-OD1 3.64Å; R374-D381 IonicContact NE-OD1 3.32Å; R374-D381 IonicContact NH1-OD1 2.84Å; R374-D381 PolarHBondContact NH1-OD1 3.19Å; S379-D381 VanDerWaalsContact CB-OD2 3.24Å; S379-D381 WeakPolarHBondContact CB-OD2 3.45Å; S379-D381 PolarHBondContact OG-OD2 2.86Å; D381-D387 WeakPolarHBondContact CA-OD2 3.22Å; D381-D387 PolarHBondContact N-OD2 3.21Å
382	C	88	Confident	82.3	Confident	2 Å²	2	76.3 Å²	76.3	1%	0.014	37%	0.373	C	S	.	.	S	Bend	trans	-70.1	137.4	162.2	-79.8	0	0	0	0	110.7	C364 D384 G385 D387	C364-C382 VanDerWaalsContact CA-SG 3.59Å; C364-C382 HydrophobicContact CB-CB 3.78Å; C364-C382 WeakPolarHBondContact CB-SG 3.36Å; C364-C382 WeakPolarHBondContact SG-CA 3.32Å; C364-C382 WeakPolarHBondContact SG-CB 3.38Å; C364-C382 CovalentContact SG-SG 2.03Å; C364-C382 PolarHBondContact SG-SG 3.07Å; C382-D384 WeakPolarHBondContact CB-OD1 3.22Å; C382-D384 PolarHBondContact O-N 2.95Å; C382-D384 VanDerWaalsContact O-N 3.09Å; C382-G385 PolarHBondContact O-N 3.18Å; C382-D387 HydrophobicContact CB-CB 4.18Å; C382-D387 PolarHBondContact N-OD2 3.29Å
383	P	83.6	Confident	81.8	Confident	98 Å²	98	72 Å²	72	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.7	-179.7	-21.2	32.8	0	0	0	114.9	D366 T368	D366-P383 WeakPolarHBondContact OD2-CB 3.32Å; D366-P383 WeakPolarHBondContact OD2-CG 3.08Å; T368-P383 HydrophobicContact CG2-CG 4.36Å
384	D	83.9	Confident	81.2	Confident	50 Å²	50	68.4 Å²	68.4	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.1	174.3	62.2	6.7	0	0	0	113.6	D365 D366 C382 S386 R389	D365-D384 WeakPolarHBondContact CB-OD2 3.44Å; D365-D384 PolarHBondContact N-OD2 3.29Å; D366-D384 HydrophobicContact CB-CB 4.41Å; D366-D384 WeakPolarHBondContact CB-OD2 3.49Å; D366-D384 PolarHBondContact N-OD2 3.4Å; C382-D384 WeakPolarHBondContact CB-OD1 3.22Å; C382-D384 PolarHBondContact O-N 2.95Å; C382-D384 VanDerWaalsContact O-N 3.09Å; D384-S386 VanDerWaalsContact CG-OG 3.29Å; D384-S386 VanDerWaalsContact OD1-CB 3.23Å; D384-S386 WeakPolarHBondContact OD1-CB 3.04Å; D384-S386 PolarHBondContact OD1-N 2.98Å; D384-S386 PolarHBondContact OD1-OG 3.47Å; D384-S386 PolarHBondContact OD2-OG 2.91Å; D384-R389 PolarHBondContact O-NH2 2.94Å
385	G	84.1	Confident	80.5	Confident	7 Å²	7	69 Å²	69	7%	0.072	37%	0.366	C	S	.	.			trans	56.6	42	-173.3	0	0	0	0	0	113.7	C382 D387 R389	C382-G385 PolarHBondContact O-N 3.18Å; G385-D387 WeakPolarHBondContact CA-OD1 3.44Å; G385-R389 WeakPolarHBondContact O-CG 2.96Å; G385-R389 VanDerWaalsContact O-CZ 3.27Å; G385-R389 PolarHBondContact O-NE 3.32Å; G385-R389 PolarHBondContact O-NH2 3.06Å
386	S	87.4	Confident	79.8	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.021	39%	0.388	C	S	.	.			trans	-85.5	-20.3	176.9	51.6	0	0	0	0	114.7	Y362 C364 D365 D384 R389	Y362-S386 PolarHBondContact OH-O 3.34Å; C364-S386 WeakPolarHBondContact CA-OG 3.06Å; C364-S386 WeakPolarHBondContact CB-OG 3.06Å; D365-S386 PolarHBondContact N-OG 3.23Å; D384-S386 VanDerWaalsContact CG-OG 3.29Å; D384-S386 VanDerWaalsContact OD1-CB 3.23Å; D384-S386 WeakPolarHBondContact OD1-CB 3.04Å; D384-S386 PolarHBondContact OD1-N 2.98Å; D384-S386 PolarHBondContact OD1-OG 3.47Å; D384-S386 PolarHBondContact OD2-OG 2.91Å; S386-R389 PolarHBondContact O-N 2.63Å
387	D	86.6	Confident	79.5	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-50.7	164.7	45.5	-1.1	0	0	0	113.3	Y362 I370 D381 C382 G385 R389	Y362-D387 HydrophobicContact CE1-CB 4.49Å; I370-D387 HydrophobicContact CD1-CB 3.8Å; D381-D387 WeakPolarHBondContact CA-OD2 3.22Å; D381-D387 PolarHBondContact N-OD2 3.21Å; C382-D387 HydrophobicContact CB-CB 4.18Å; C382-D387 PolarHBondContact N-OD2 3.29Å; G385-D387 WeakPolarHBondContact CA-OD1 3.44Å; D387-R389 PolarHBondContact O-N 3.29Å; D387-R389 VanDerWaalsContact O-N 3.12Å
388	E	84.1	Confident	79.2	Confident	25 Å²	25	71.9 Å²	71.9	12%	0.117	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	36.7	-179	-60.9	-56.6	120.2	0	0	112.6	C376 D377 R378 S379	C376-E388 WeakPolarHBondContact CA-OE1 3.29Å; C376-E388 PolarHBondContact N-OE1 3.2Å; D377-E388 PolarHBondContact N-OE1 3.03Å; R378-E388 WeakPolarHBondContact CA-OE2 3.12Å; R378-E388 VanDerWaalsContact N-CD 3.34Å; R378-E388 PolarHBondContact N-OE1 3.18Å; R378-E388 PolarHBondContact N-OE2 3.39Å; S379-E388 WeakPolarHBondContact O-CG 3.34Å
389	R	75.2	Confident	79.4	Confident	122 Å²	122	68.8 Å²	68.8	46%	0.46	36%	0.362	S	S	.	.	S	Bend	trans	-129.4	137.4	175	-53.6	-178.6	-160.6	-94.3	-2	110.1	D384 G385 S386 D387 C391	D384-R389 PolarHBondContact O-NH2 2.94Å; G385-R389 WeakPolarHBondContact O-CG 2.96Å; G385-R389 VanDerWaalsContact O-CZ 3.27Å; G385-R389 PolarHBondContact O-NE 3.32Å; G385-R389 PolarHBondContact O-NH2 3.06Å; S386-R389 PolarHBondContact O-N 2.63Å; D387-R389 PolarHBondContact O-N 3.29Å; D387-R389 VanDerWaalsContact O-N 3.12Å; R389-C391 VanDerWaalsContact C-N 3.3Å
390	H	69.2	Low	79.2	Confident	148 Å²	148	66.8 Å²	66.8	69%	0.685	35%	0.348	S	S	*	.	S	Bend	trans	69.1	21.2	-176.9	-38.2	93.1	0	0	0	114.9	P402 G403	H390-P402 WeakPolarHBondContact CA-O 3.35Å; H390-P402 PolarHBondContact N-O 3.36Å; H390-G403 PolarHBondContact N-O 2.98Å
391	C	75.3	Confident	78.7	Confident	16 Å²	16	65.3 Å²	65.3	11%	0.108	34%	0.338	C	S	.	.			trans	-64.5	167.3	170.7	-60.5	0	0	0	0	112.5	C376 R389 G403	C376-C391 WeakPolarHBondContact CA-SG 3.26Å; C376-C391 HydrophobicContact CB-CB 3.75Å; C376-C391 WeakPolarHBondContact CB-SG 3.19Å; C376-C391 WeakPolarHBondContact SG-CA 3.28Å; C376-C391 WeakPolarHBondContact SG-CB 3.18Å; C376-C391 CovalentContact SG-SG 2.03Å; C376-C391 PolarHBondContact SG-SG 2.95Å; R389-C391 VanDerWaalsContact C-N 3.3Å; C391-G403 WeakPolarHBondContact CB-O 3.33Å; C391-G403 PolarHBondContact N-O 3.34Å; C391-G403 WeakPolarHBondContact O-CA 3.26Å
392	K	74.2	Confident	78	Confident	206 Å²	206	67.8 Å²	67.8	90%	0.896	36%	0.357	S	S	*	.			trans	-106.1	108.5	175.6	-100.2	-172.6	174.6	-179.6	0	110.9
393	C	72	Confident	77	Confident	39 Å²	39	67.8 Å²	67.8	26%	0.264	36%	0.358	S	S	.	.			trans	-66.2	142.4	-179.4	-46.6	0	0	0	0	112.4	E397 C405	C393-E397 VanDerWaalsContact CA-OE2 3.26Å; C393-E397 WeakPolarHBondContact CA-OE2 3.37Å; C393-E397 HydrophobicContact CB-CB 4.09Å; C393-C405 WeakPolarHBondContact CA-SG 3.49Å; C393-C405 HydrophobicContact CB-CB 3.77Å; C393-C405 WeakPolarHBondContact CB-SG 3.4Å; C393-C405 PolarHBondContact N-SG 2.83Å; C393-C405 VanDerWaalsContact N-SG 3.4Å; C393-C405 WeakPolarHBondContact SG-CB 3.18Å; C393-C405 CovalentContact SG-SG 2.04Å; C393-C405 PolarHBondContact SG-SG 3.12Å
394	S	71.1	Confident	76.5	Confident	57 Å²	57	67 Å²	67	40%	0.399	34%	0.342	S	S	.	.			trans	-70.6	163.7	172.1	-177.5	0	0	0	0	111.8	L396 E397	S394-L396 PolarHBondContact O-N 2.91Å; S394-L396 VanDerWaalsContact O-N 3.1Å; S394-L396 PolarHBondContact OG-N 2.04Å; S394-E397 WeakPolarHBondContact CB-OE2 3.49Å; S394-E397 PolarHBondContact N-OE2 2.84Å; S394-E397 PolarHBondContact O-N 3.4Å; S394-E397 VanDerWaalsContact O-N 3.15Å
395	S	72	Confident	76.2	Confident	114 Å²	114	66 Å²	66	80%	0.797	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	1	169.6	60.8	0	0	0	0	114.1
396	L	72	Confident	75.9	Confident	126 Å²	126	66 Å²	66	66%	0.66	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	12	174.2	-62.3	176.5	0	0	0	112.5	S394 L408	S394-L396 PolarHBondContact O-N 2.91Å; S394-L396 VanDerWaalsContact O-N 3.1Å; S394-L396 PolarHBondContact OG-N 2.04Å; L396-L408 WeakPolarHBondContact O-CG 3.2Å; L396-L408 PolarHBondContact O-N 3.2Å
397	E	75.6	Confident	75.5	Confident	30 Å²	30	67.5 Å²	67.5	14%	0.14	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	159.8	-175.4	-70.8	161.3	-171.1	0	0	111.9	R378 C393 S394 C405 I406	R378-E397 IonicContact CZ-OE1 3.6Å; R378-E397 VanDerWaalsContact CZ-OE1 3.29Å; R378-E397 IonicContact NE-OE1 2.7Å; R378-E397 IonicContact NH2-OE1 3.31Å; R378-E397 PolarHBondContact NH2-OE1 2.03Å; C393-E397 VanDerWaalsContact CA-OE2 3.26Å; C393-E397 WeakPolarHBondContact CA-OE2 3.37Å; C393-E397 HydrophobicContact CB-CB 4.09Å; S394-E397 WeakPolarHBondContact CB-OE2 3.49Å; S394-E397 PolarHBondContact N-OE2 2.84Å; S394-E397 PolarHBondContact O-N 3.4Å; S394-E397 VanDerWaalsContact O-N 3.15Å; E397-C405 HydrophobicContact CB-CB 4.33Å; E397-I406 CarbonylContact C-O 3.6Å; E397-I406 WeakPolarHBondContact CA-O 2.98Å; E397-I406 WeakPolarHBondContact CB-O 3.37Å
398	F	78.3	Confident	74.9	Confident	60 Å²	60	70.9 Å²	70.9	26%	0.263	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.3	174.2	175.8	-97.4	0	0	0	110.1	C405 I406 L408 V411 A422	F398-C405 WeakPolarHBondContact O-CA 3.47Å; F398-I406 HydrophobicContact CB-CG1 4.03Å; F398-I406 HydrophobicContact CD1-CD1 4.13Å; F398-I406 HydrophobicContact CD1-CG1 4.08Å; F398-I406 PolarHBondContact N-O 2.89Å; F398-I406 PolarHBondContact O-N 3.23Å; F398-L408 HydrophobicContact CB-CD2 4.26Å; F398-V411 HydrophobicContact CB-CG2 3.45Å; F398-V411 VanDerWaalsContact CB-CG2 3.45Å; F398-V411 HydrophobicContact CD1-CG2 4.23Å; F398-V411 HydrophobicContact CD2-CG1 4.31Å; F398-V411 HydrophobicContact CD2-CG2 4.42Å; F398-V411 HydrophobicContact CG-CG1 4.35Å; F398-V411 HydrophobicContact CG-CG2 3.82Å; F398-A422 HydrophobicContact CE1-CB 4.02Å; F398-A422 HydrophobicContact CZ-CB 4.18Å; F398-A422 WeakPolarHBondContact CZ-O 3.28Å
399	E	79.4	Confident	74.4	Confident	111 Å²	111	76.8 Å²	76.8	52%	0.519	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	100.3	-178.4	-172.9	172.9	-161.4	0	0	109.8	E401 P402 G403 Y404	E399-E401 VanDerWaalsContact CG-O 3.28Å; E399-E401 WeakPolarHBondContact CG-O 3.42Å; E399-P402 WeakPolarHBondContact OE1-CA 3.21Å; E399-G403 PolarHBondContact OE1-N 2.76Å; E399-Y404 WeakPolarHBondContact CA-O 3.34Å
400	C	80	Confident	74.6	Confident	9 Å²	9	74.2 Å²	74.2	6%	0.061	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-43.4	-179.2	-62.8	0	0	0	0	112.5	Y404 C418 N420	C400-Y404 HydrophobicContact CB-CD1 3.73Å; C400-Y404 HydrophobicContact CB-CE1 4.48Å; C400-Y404 PolarHBondContact N-O 2.87Å; C400-C418 HydrophobicContact CB-CB 3.55Å; C400-C418 WeakPolarHBondContact CB-SG 3.3Å; C400-C418 WeakPolarHBondContact SG-CA 3.09Å; C400-C418 WeakPolarHBondContact SG-CB 3.23Å; C400-C418 CovalentContact SG-SG 2.02Å; C400-C418 PolarHBondContact SG-SG 3.33Å; C400-N420 PolarHBondContact O-ND2 2.85Å
401	E	74.5	Confident	75.1	Confident	97 Å²	97	68.2 Å²	68.2	45%	0.453	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.4	176.7	-65.8	-157.9	153.9	0	0	107.1	E399 G403 Y404 N420	E399-E401 VanDerWaalsContact CG-O 3.28Å; E399-E401 WeakPolarHBondContact CG-O 3.42Å; E401-G403 PolarHBondContact O-N 2.99Å; E401-Y404 PolarHBondContact O-N 3.3Å; E401-N420 WeakPolarHBondContact CG-ND2 3.13Å; E401-N420 WeakPolarHBondContact OE1-CB 3.42Å; E401-N420 PolarHBondContact OE1-ND2 3.41Å
402	P	72.7	Confident	75.1	Confident	103 Å²	103	67.6 Å²	67.6	67%	0.669	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	102.7	-174.2	-32.7	38.6	0	0	0	114.3	H390 E399	H390-P402 WeakPolarHBondContact CA-O 3.35Å; H390-P402 PolarHBondContact N-O 3.36Å; E399-P402 WeakPolarHBondContact OE1-CA 3.21Å
403	G	66.1	Low	75.1	Confident	2 Å²	2	59.9 Å²	59.9	2%	0.021	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	34.4	-175.4	0	0	0	0	0	117.3	H390 C391 E399 E401	H390-G403 PolarHBondContact N-O 2.98Å; C391-G403 WeakPolarHBondContact CB-O 3.33Å; C391-G403 PolarHBondContact N-O 3.34Å; C391-G403 WeakPolarHBondContact O-CA 3.26Å; E399-G403 PolarHBondContact OE1-N 2.76Å; E401-G403 PolarHBondContact O-N 2.99Å
404	Y	73.6	Confident	75.2	Confident	81 Å²	81	60 Å²	60	32%	0.318	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.7	156.6	-175.8	-84	0	0	0	108.3	E399 C400 E401 I406	E399-Y404 WeakPolarHBondContact CA-O 3.34Å; C400-Y404 HydrophobicContact CB-CD1 3.73Å; C400-Y404 HydrophobicContact CB-CE1 4.48Å; C400-Y404 PolarHBondContact N-O 2.87Å; E401-Y404 PolarHBondContact O-N 3.3Å; Y404-I406 HydrophobicContact CD1-CG2 4.44Å; Y404-I406 HydrophobicContact CE1-CG2 3.87Å
405	C	77.8	Confident	75.7	Confident	30 Å²	30	61.1 Å²	61.1	20%	0.203	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.3	-163.6	-49.1	0	0	0	0	111.5	C393 E397 F398	C393-C405 WeakPolarHBondContact CA-SG 3.49Å; C393-C405 HydrophobicContact CB-CB 3.77Å; C393-C405 WeakPolarHBondContact CB-SG 3.4Å; C393-C405 PolarHBondContact N-SG 2.83Å; C393-C405 VanDerWaalsContact N-SG 3.4Å; C393-C405 WeakPolarHBondContact SG-CB 3.18Å; C393-C405 CovalentContact SG-SG 2.04Å; C393-C405 PolarHBondContact SG-SG 3.12Å; E397-C405 HydrophobicContact CB-CB 4.33Å; F398-C405 WeakPolarHBondContact O-CA 3.47Å
406	I	76.7	Confident	76.3	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.036	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	149.1	171.4	65.9	174.8	0	0	0	110.9	E397 F398 Y404 Q410 V411 Q417 D423	E397-I406 CarbonylContact C-O 3.6Å; E397-I406 WeakPolarHBondContact CA-O 2.98Å; E397-I406 WeakPolarHBondContact CB-O 3.37Å; F398-I406 HydrophobicContact CB-CG1 4.03Å; F398-I406 HydrophobicContact CD1-CD1 4.13Å; F398-I406 HydrophobicContact CD1-CG1 4.08Å; F398-I406 PolarHBondContact N-O 2.89Å; F398-I406 PolarHBondContact O-N 3.23Å; Y404-I406 HydrophobicContact CD1-CG2 4.44Å; Y404-I406 HydrophobicContact CE1-CG2 3.87Å; I406-Q410 HydrophobicContact CD1-CB 4.36Å; I406-V411 HydrophobicContact CD1-CG2 4.07Å; I406-V411 HydrophobicContact CG1-CG2 4.24Å; I406-Q417 HydrophobicContact CD1-CB 4.18Å; I406-Q417 HydrophobicContact CD1-CG 4.37Å; I406-Q417 HydrophobicContact CG2-CB 4.2Å; I406-D423 HydrophobicContact CD1-CB 3.85Å
407	P	79	Confident	76.8	Confident	35 Å²	35	58 Å²	58	23%	0.227	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	142.5	171.6	-26.5	35.7	0	0	0	112.7	E409 Q410	P407-E409 HydrophobicContact CB-CG 3.76Å; P407-E409 PolarHBondContact O-N 3.4Å; P407-Q410 HydrophobicContact CB-CG 4.43Å; P407-Q410 PolarHBondContact O-N 2.84Å
408	L	73.7	Confident	77.2	Confident	71 Å²	71	56.7 Å²	56.7	37%	0.372	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59.7	-16.9	178.8	-80.8	174	0	0	0	114.9	L396 F398 Q410 V411	L396-L408 WeakPolarHBondContact O-CG 3.2Å; L396-L408 PolarHBondContact O-N 3.2Å; F398-L408 HydrophobicContact CB-CD2 4.26Å; L408-Q410 VanDerWaalsContact C-N 3.34Å; L408-V411 HydrophobicContact CD2-CG2 4.44Å
409	E	73.6	Confident	77.3	Confident	149 Å²	149	58.3 Å²	58.3	70%	0.696	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-78.5	-14.4	174.3	58.9	-177.2	-166.8	0	0	113.9	P407	P407-E409 HydrophobicContact CB-CG 3.76Å; P407-E409 PolarHBondContact O-N 3.4Å
410	Q	79.2	Confident	77.3	Confident	68 Å²	68	56.2 Å²	56.2	32%	0.318	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-99.4	14.2	176.7	-61.1	-174.6	-16.7	0	0	112.7	I406 P407 L408 D413 Q417	I406-Q410 HydrophobicContact CD1-CB 4.36Å; P407-Q410 HydrophobicContact CB-CG 4.43Å; P407-Q410 PolarHBondContact O-N 2.84Å; L408-Q410 VanDerWaalsContact C-N 3.34Å; Q410-D413 WeakPolarHBondContact CA-OD2 3.47Å; Q410-Q417 HydrophobicContact CB-CG 4.19Å
411	V	79.6	Confident	77.2	Confident	22 Å²	22	60.4 Å²	60.4	13%	0.133	33%	0.326	C	S	.	.	S	Bend	trans	-101.9	122.4	-178.3	-174.6	0	0	0	0	108	F398 I406 L408 D413	F398-V411 HydrophobicContact CB-CG2 3.45Å; F398-V411 VanDerWaalsContact CB-CG2 3.45Å; F398-V411 HydrophobicContact CD1-CG2 4.23Å; F398-V411 HydrophobicContact CD2-CG1 4.31Å; F398-V411 HydrophobicContact CD2-CG2 4.42Å; F398-V411 HydrophobicContact CG-CG1 4.35Å; F398-V411 HydrophobicContact CG-CG2 3.82Å; I406-V411 HydrophobicContact CD1-CG2 4.07Å; I406-V411 HydrophobicContact CG1-CG2 4.24Å; L408-V411 HydrophobicContact CD2-CG2 4.44Å; V411-D413 VanDerWaalsContact C-N 3.26Å; V411-D413 PolarHBondContact O-N 2.93Å
412	C	76.8	Confident	77.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.02	31%	0.312	C	S	.	.	S	Bend	trans	63.2	27.7	-174.2	-37.9	0	0	0	0	113.6	G414 D423 E424 C428 Q442 C443	C412-G414 VanDerWaalsContact C-N 3.33Å; C412-D423 PolarHBondContact N-O 2.94Å; C412-E424 WeakPolarHBondContact CA-OE1 3.2Å; C412-E424 PolarHBondContact N-OE1 3.3Å; C412-C428 HydrophobicContact CB-CB 3.75Å; C412-C428 WeakPolarHBondContact CB-SG 3.32Å; C412-C428 WeakPolarHBondContact SG-CB 3.43Å; C412-C428 CovalentContact SG-SG 2.02Å; C412-C428 PolarHBondContact SG-SG 3.38Å; C412-Q442 WeakPolarHBondContact O-CA 2.99Å; C412-C443 HydrophobicContact CB-CB 4.01Å; C412-C443 WeakPolarHBondContact CB-SG 3.45Å; C412-C443 PolarHBondContact O-N 3.5Å
413	D	73.8	Confident	78	Confident	43 Å²	43	51.8 Å²	51.8	23%	0.23	28%	0.28	C	S	.	.	S	Bend	trans	-79.2	-16.2	-178.8	76.6	10.2	0	0	0	112.9	Q410 V411 V415 Q417 E424 Q442	Q410-D413 WeakPolarHBondContact CA-OD2 3.47Å; V411-D413 VanDerWaalsContact C-N 3.26Å; V411-D413 PolarHBondContact O-N 2.93Å; D413-V415 WeakPolarHBondContact OD1-CA 3.46Å; D413-V415 VanDerWaalsContact OD1-CB 3.25Å; D413-V415 WeakPolarHBondContact OD1-CB 3.42Å; D413-V415 PolarHBondContact OD1-N 3.43Å; D413-Q417 PolarHBondContact OD2-NE2 3.11Å; D413-E424 PolarHBondContact N-OE1 2.87Å; D413-Q442 PolarHBondContact O-NE2 3.3Å
414	G	74.2	Confident	78.7	Confident	42 Å²	42	54.4 Å²	54.4	43%	0.433	29%	0.292	S	S	.	.	S	Bend	trans	103.1	6.9	-176.7	0	0	0	0	0	114.9	C412 E424	C412-G414 VanDerWaalsContact C-N 3.33Å; G414-E424 VanDerWaalsContact CA-OE2 3.3Å; G414-E424 WeakPolarHBondContact CA-OE2 3.44Å; G414-E424 PolarHBondContact N-OE1 2.86Å; G414-E424 PolarHBondContact N-OE2 3.12Å
415	V	80.7	Confident	78.7	Confident	81 Å²	81	55.5 Å²	55.5	49%	0.491	30%	0.302	S	S	.	.	S	Bend	trans	-128.6	137.3	-174.7	-172.9	0	0	0	0	110.3	D413 Q417 E424	D413-V415 WeakPolarHBondContact OD1-CA 3.46Å; D413-V415 VanDerWaalsContact OD1-CB 3.25Å; D413-V415 WeakPolarHBondContact OD1-CB 3.42Å; D413-V415 PolarHBondContact OD1-N 3.43Å; V415-Q417 PolarHBondContact O-N 2.81Å; V415-Q417 VanDerWaalsContact O-N 3.11Å; V415-E424 WeakPolarHBondContact O-CG 3.34Å
416	E	84.2	Confident	77.8	Confident	121 Å²	121	63 Å²	63	57%	0.565	33%	0.334	S	S	*	.			trans	-83.7	88.3	-172.8	-57.8	177.7	169.2	0	0	111.2	K421	E416-K421 HydrophobicContact CG-CD 4.24Å; E416-K421 HydrophobicContact CG-CG 4.38Å; E416-K421 WeakPolarHBondContact OE1-CE 3.4Å; E416-K421 IonicContact OE1-NZ 3.55Å; E416-K421 PolarHBondContact OE1-NZ 3.2Å; E416-K421 WeakPolarHBondContact OE2-CE 3.48Å; E416-K421 IonicContact OE2-NZ 3.38Å; E416-K421 PolarHBondContact OE2-NZ 3.27Å
417	Q	83.6	Confident	77.1	Confident	53 Å²	53	69.6 Å²	69.6	25%	0.248	37%	0.37	C	S	.	.			trans	-87.1	-44.6	179	-30.6	-64.6	14.8	0	0	111	I406 Q410 D413 V415 D423	I406-Q417 HydrophobicContact CD1-CB 4.18Å; I406-Q417 HydrophobicContact CD1-CG 4.37Å; I406-Q417 HydrophobicContact CG2-CB 4.2Å; Q410-Q417 HydrophobicContact CB-CG 4.19Å; D413-Q417 PolarHBondContact OD2-NE2 3.11Å; V415-Q417 PolarHBondContact O-N 2.81Å; V415-Q417 VanDerWaalsContact O-N 3.11Å; Q417-D423 WeakPolarHBondContact CA-OD2 3.5Å; Q417-D423 WeakPolarHBondContact CB-OD2 3.36Å; Q417-D423 PolarHBondContact N-OD2 3.07Å
418	C	83.6	Confident	76.5	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.02	36%	0.363	C	S	.	.	S	Bend	trans	-69.4	130.6	176.4	-66	0	0	0	0	110.7	C400 N420 K421 A422 D423	C400-C418 HydrophobicContact CB-CB 3.55Å; C400-C418 WeakPolarHBondContact CB-SG 3.3Å; C400-C418 WeakPolarHBondContact SG-CA 3.09Å; C400-C418 WeakPolarHBondContact SG-CB 3.23Å; C400-C418 CovalentContact SG-SG 2.02Å; C400-C418 PolarHBondContact SG-SG 3.33Å; C418-N420 WeakPolarHBondContact CB-OD1 3.42Å; C418-N420 PolarHBondContact O-N 3.08Å; C418-K421 PolarHBondContact O-N 3.01Å; C418-A422 HydrophobicContact CB-CB 4.38Å; C418-D423 HydrophobicContact CB-CB 4.31Å; C418-D423 WeakPolarHBondContact CB-OD1 3.34Å; C418-D423 PolarHBondContact N-OD2 3.06Å; C418-D423 VanDerWaalsContact SG-CB 3.5Å; C418-D423 PolarHBondContact SG-N 2.93Å; C418-D423 VanDerWaalsContact SG-N 3.39Å
419	P	80.3	Confident	76.3	Confident	93 Å²	93	73.7 Å²	73.7	60%	0.604	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.6	177.3	-27.8	35.2	0	0	0	115.3
420	N	79.4	Confident	76	Confident	68 Å²	68	67.1 Å²	67.1	36%	0.364	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	1.5	-179.5	65.8	3.7	0	0	0	114.2	C400 E401 C418 A422	C400-N420 PolarHBondContact O-ND2 2.85Å; E401-N420 WeakPolarHBondContact CG-ND2 3.13Å; E401-N420 WeakPolarHBondContact OE1-CB 3.42Å; E401-N420 PolarHBondContact OE1-ND2 3.41Å; C418-N420 WeakPolarHBondContact CB-OD1 3.42Å; C418-N420 PolarHBondContact O-N 3.08Å; N420-A422 WeakPolarHBondContact OD1-CB 3.3Å; N420-A422 PolarHBondContact OD1-N 2.99Å
421	K	78.6	Confident	75.3	Confident	97 Å²	97	66.2 Å²	66.2	42%	0.422	36%	0.355	S	S	.	.			trans	62.7	32.8	-176.1	-44.1	-176.5	-176	-155.6	0	114.7	E416 C418 D423 E424 L425	E416-K421 HydrophobicContact CG-CD 4.24Å; E416-K421 HydrophobicContact CG-CG 4.38Å; E416-K421 WeakPolarHBondContact OE1-CE 3.4Å; E416-K421 IonicContact OE1-NZ 3.55Å; E416-K421 PolarHBondContact OE1-NZ 3.2Å; E416-K421 WeakPolarHBondContact OE2-CE 3.48Å; E416-K421 IonicContact OE2-NZ 3.38Å; E416-K421 PolarHBondContact OE2-NZ 3.27Å; C418-K421 PolarHBondContact O-N 3.01Å; K421-D423 VanDerWaalsContact C-N 3.31Å; K421-D423 WeakPolarHBondContact CA-OD1 3.32Å; K421-E424 PolarHBondContact O-N 2.95Å; K421-L425 WeakPolarHBondContact O-CG 3.37Å
422	A	83.5	Confident	74.4	Confident	19 Å²	19	70.8 Å²	70.8	16%	0.157	38%	0.384	C	S	.	.	S	Bend	trans	-69.1	-28	177.5	0	0	0	0	0	113.7	F398 C418 N420 L425	F398-A422 HydrophobicContact CE1-CB 4.02Å; F398-A422 HydrophobicContact CZ-CB 4.18Å; F398-A422 WeakPolarHBondContact CZ-O 3.28Å; C418-A422 HydrophobicContact CB-CB 4.38Å; N420-A422 WeakPolarHBondContact OD1-CB 3.3Å; N420-A422 PolarHBondContact OD1-N 2.99Å; A422-L425 WeakPolarHBondContact O-CD1 3.11Å; A422-L425 WeakPolarHBondContact O-CG 3.24Å
423	D	80.4	Confident	73.7	Confident	0 Å²	0	76 Å²	76	0%	0	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-44.5	168.7	47.5	-3.8	0	0	0	113.1	I406 C412 Q417 C418 K421 L425 C428	I406-D423 HydrophobicContact CD1-CB 3.85Å; C412-D423 PolarHBondContact N-O 2.94Å; Q417-D423 WeakPolarHBondContact CA-OD2 3.5Å; Q417-D423 WeakPolarHBondContact CB-OD2 3.36Å; Q417-D423 PolarHBondContact N-OD2 3.07Å; C418-D423 HydrophobicContact CB-CB 4.31Å; C418-D423 WeakPolarHBondContact CB-OD1 3.34Å; C418-D423 PolarHBondContact N-OD2 3.06Å; C418-D423 VanDerWaalsContact SG-CB 3.5Å; C418-D423 PolarHBondContact SG-N 2.93Å; C418-D423 VanDerWaalsContact SG-N 3.39Å; K421-D423 VanDerWaalsContact C-N 3.31Å; K421-D423 WeakPolarHBondContact CA-OD1 3.32Å; D423-L425 PolarHBondContact O-N 3.04Å; D423-C428 PolarHBondContact O-SG 3.07Å
424	E	79.9	Confident	73.3	Confident	57 Å²	57	78 Å²	78	27%	0.266	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	29.5	-173	-70.6	-61.1	127.6	0	0	112.9	C412 D413 G414 V415 K421	C412-E424 WeakPolarHBondContact CA-OE1 3.2Å; C412-E424 PolarHBondContact N-OE1 3.3Å; D413-E424 PolarHBondContact N-OE1 2.87Å; G414-E424 VanDerWaalsContact CA-OE2 3.3Å; G414-E424 WeakPolarHBondContact CA-OE2 3.44Å; G414-E424 PolarHBondContact N-OE1 2.86Å; G414-E424 PolarHBondContact N-OE2 3.12Å; V415-E424 WeakPolarHBondContact O-CG 3.34Å; K421-E424 PolarHBondContact O-N 2.95Å
425	L	74.2	Confident	73.3	Confident	104 Å²	104	78 Å²	78	55%	0.545	42%	0.42	S	S	.	.			trans	-69.9	134.5	176.7	-70.7	175.5	0	0	0	111.5	K421 A422 D423 N427 C428	K421-L425 WeakPolarHBondContact O-CG 3.37Å; A422-L425 WeakPolarHBondContact O-CD1 3.11Å; A422-L425 WeakPolarHBondContact O-CG 3.24Å; D423-L425 PolarHBondContact O-N 3.04Å; L425-N427 PolarHBondContact O-N 3.27Å; L425-C428 WeakPolarHBondContact O-CB 3.49Å; L425-C428 PolarHBondContact O-N 2.93Å; L425-C428 PolarHBondContact O-SG 3.38Å; L425-C428 VanDerWaalsContact O-SG 3.38Å
426	Q	59.7	Low	73.1	Confident	187 Å²	187	76.2 Å²	76.2	87%	0.874	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-13.5	180	-71.9	-175.1	-31	0	0	115.8
427	N	61	Low	72.9	Confident	146 Å²	146	75.8 Å²	75.8	78%	0.781	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	24.6	174.4	-151.6	101.9	0	0	0	113	L425	L425-N427 PolarHBondContact O-N 3.27Å
428	C	67.6	Low	72.8	Confident	13 Å²	13	73.3 Å²	73.3	9%	0.088	39%	0.387	C	S	.	.			trans	-43.6	136.3	168.3	-101.3	0	0	0	0	113.6	C412 D423 L425 R437	C412-C428 HydrophobicContact CB-CB 3.75Å; C412-C428 WeakPolarHBondContact CB-SG 3.32Å; C412-C428 WeakPolarHBondContact SG-CB 3.43Å; C412-C428 CovalentContact SG-SG 2.02Å; C412-C428 PolarHBondContact SG-SG 3.38Å; D423-C428 PolarHBondContact O-SG 3.07Å; L425-C428 WeakPolarHBondContact O-CB 3.49Å; L425-C428 PolarHBondContact O-N 2.93Å; L425-C428 PolarHBondContact O-SG 3.38Å; L425-C428 VanDerWaalsContact O-SG 3.38Å; C428-R437 PolarHBondContact O-NH1 2.8Å; C428-R437 PolarHBondContact O-NH2 3.06Å
429	E	68.2	Low	72.6	Confident	179 Å²	179	79.6 Å²	79.6	84%	0.836	42%	0.421	S	S	*	.			trans	-126.1	103.1	177.3	-175.2	160.5	-144.8	0	0	109.1
430	C	67.9	Low	72.2	Confident	11 Å²	11	78.9 Å²	78.9	7%	0.074	41%	0.412	C	S	.	.			trans	-62.7	149.5	-171	-53.6	0	0	0	0	113.2	T432 H435 C443	C430-T432 PolarHBondContact O-N 3.01Å; C430-H435 HydrophobicContact CB-CB 3.91Å; C430-C443 WeakPolarHBondContact CA-SG 2.99Å; C430-C443 HydrophobicContact CB-CB 3.74Å; C430-C443 WeakPolarHBondContact CB-SG 3.44Å; C430-C443 VanDerWaalsContact SG-CA 3.52Å; C430-C443 WeakPolarHBondContact SG-CB 2.99Å; C430-C443 CovalentContact SG-SG 2.03Å; C430-C443 PolarHBondContact SG-SG 3.27Å
431	P	65.1	Low	71.9	Confident	48 Å²	48	76 Å²	76	31%	0.312	40%	0.399	S	S	.	.			trans	-62.8	93.5	172.4	-20.3	32.5	0	0	0	111.9	T434 H435	P431-T434 PolarHBondContact O-N 2.77Å; P431-T434 VanDerWaalsContact O-N 3.14Å; P431-T434 PolarHBondContact O-OG1 2.93Å; P431-T434 VanDerWaalsContact O-OG1 3.12Å; P431-H435 PolarHBondContact O-N 3.16Å; P431-H435 PolarHBondContact O-ND1 2.91Å
432	T	58.7	Low	71.8	Confident	119 Å²	119	73.3 Å²	73.3	73%	0.73	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	139.3	170.1	58.4	0	0	0	0	109.3	C430	C430-T432 PolarHBondContact O-N 3.01Å
433	P	62.4	Low	71.5	Confident	113 Å²	113	73 Å²	73	73%	0.734	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-97.8	12.1	16.3	39.3	-37.5	0	0	0	115.6	L446	P433-L446 WeakPolarHBondContact O-CD1 3.19Å
434	T	66.5	Low	71.2	Confident	83 Å²	83	73.3 Å²	73.3	51%	0.509	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.1	-170	45.7	0	0	0	0	115.6	P431 L446	P431-T434 PolarHBondContact O-N 2.77Å; P431-T434 VanDerWaalsContact O-N 3.14Å; P431-T434 PolarHBondContact O-OG1 2.93Å; P431-T434 VanDerWaalsContact O-OG1 3.12Å; T434-L446 WeakPolarHBondContact O-CG 3.47Å; T434-L446 PolarHBondContact O-N 3.29Å
435	H	74.2	Confident	71	Confident	43 Å²	43	73.1 Å²	73.1	20%	0.199	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.9	-175.1	-63.4	78.6	0	0	0	113.9	C430 P431 L444	C430-H435 HydrophobicContact CB-CB 3.91Å; P431-H435 PolarHBondContact O-N 3.16Å; P431-H435 PolarHBondContact O-ND1 2.91Å; H435-L444 CarbonylContact C-O 3.57Å; H435-L444 VanDerWaalsContact CA-O 3.24Å; H435-L444 WeakPolarHBondContact CA-O 3.38Å; H435-L444 WeakPolarHBondContact CB-O 3.49Å
436	F	76.8	Confident	70.8	Confident	44 Å²	44	70.8 Å²	70.8	19%	0.193	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	155.8	163	176	-106	0	0	0	110.2	C443 L444 L446 Y449 D461	F436-C443 CarbonylContact O-C 3.44Å; F436-C443 WeakPolarHBondContact O-CA 3.46Å; F436-L444 HydrophobicContact CD1-CD1 4.46Å; F436-L444 PolarHBondContact N-O 2.97Å; F436-L444 PolarHBondContact O-N 3.42Å; F436-L446 HydrophobicContact CB-CD2 4.25Å; F436-Y449 HydrophobicContact CB-CD2 4.18Å; F436-Y449 HydrophobicContact CB-CG 4.26Å; F436-Y449 AromaticContact CD1-CD2 3.69Å; F436-Y449 HydrophobicContact CD1-CD2 3.69Å; F436-Y449 HydrophobicContact CD1-CE2 4.3Å; F436-Y449 AromaticContact CD2-CD2 3.49Å; F436-Y449 HydrophobicContact CD2-CD2 3.49Å; F436-Y449 VanDerWaalsContact CD2-CD2 3.49Å; F436-Y449 AromaticContact CD2-CE2 3.58Å; F436-Y449 HydrophobicContact CD2-CE2 3.58Å; F436-Y449 HydrophobicContact CD2-CG 4.15Å; F436-Y449 AromaticContact CE1-CD2 3.86Å; F436-Y449 HydrophobicContact CE1-CD2 3.86Å; F436-Y449 HydrophobicContact CE1-CE2 4.09Å; F436-Y449 AromaticContact CE2-CD2 3.68Å; F436-Y449 HydrophobicContact CE2-CD2 3.68Å; F436-Y449 AromaticContact CE2-CE2 3.34Å; F436-Y449 HydrophobicContact CE2-CE2 3.34Å; F436-Y449 AromaticContact CG-CD2 3.49Å; F436-Y449 HydrophobicContact CG-CD2 3.49Å; F436-Y449 VanDerWaalsContact CG-CD2 3.49Å; F436-Y449 HydrophobicContact CG-CE2 4.07Å; F436-Y449 HydrophobicContact CG-CG 4.06Å; F436-Y449 AromaticContact CZ-CD2 3.86Å; F436-Y449 HydrophobicContact CZ-CD2 3.86Å; F436-Y449 AromaticContact CZ-CE2 3.62Å; F436-Y449 HydrophobicContact CZ-CE2 3.62Å; F436-D461 HydrophobicContact CE1-CB 4.21Å
437	R	78.9	Confident	71.3	Confident	111 Å²	111	65.7 Å²	65.7	42%	0.419	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.8	-179.7	-173.1	177.4	175.9	-172.2	0.3	111.1	C428 Q442	C428-R437 PolarHBondContact O-NH1 2.8Å; C428-R437 PolarHBondContact O-NH2 3.06Å; R437-Q442 WeakPolarHBondContact CA-O 3.24Å
438	C	81.5	Confident	72.1	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.007	34%	0.342	C	S	.	.			trans	-72.3	152.3	168.9	-56	0	0	0	0	110.7	N440 G441 Q442 L444 C456	C438-N440 WeakPolarHBondContact CB-OD1 2.99Å; C438-N440 PolarHBondContact O-N 3.35Å; C438-N440 VanDerWaalsContact O-N 3.16Å; C438-G441 PolarHBondContact O-N 3.02Å; C438-Q442 HydrophobicContact CB-CB 4.36Å; C438-Q442 PolarHBondContact N-O 2.55Å; C438-L444 VanDerWaalsContact SG-CD1 3.53Å; C438-C456 HydrophobicContact CB-CB 3.88Å; C438-C456 WeakPolarHBondContact CB-SG 3.34Å; C438-C456 WeakPolarHBondContact SG-CA 3.42Å; C438-C456 WeakPolarHBondContact SG-CB 3.27Å; C438-C456 CovalentContact SG-SG 2.04Å; C438-C456 PolarHBondContact SG-SG 3.41Å
439	N	79.5	Confident	72.5	Confident	136 Å²	136	67.4 Å²	67.4	73%	0.727	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.3	-179.8	-79	-36.8	0	0	0	114.4	G441 E460	N439-G441 PolarHBondContact O-N 2.84Å; N439-E460 WeakPolarHBondContact CB-OE2 3.42Å; N439-E460 PolarHBondContact N-OE2 2.77Å; N439-E460 PolarHBondContact ND2-OE1 2.03Å; N439-E460 PolarHBondContact ND2-OE2 3.32Å; N439-E460 VanDerWaalsContact ND2-OE2 3.13Å
440	N	72.3	Confident	72.8	Confident	78 Å²	78	59.2 Å²	59.2	42%	0.417	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.2	169.9	69.4	-19.4	0	0	0	112.9	C438 Q442	C438-N440 WeakPolarHBondContact CB-OD1 2.99Å; C438-N440 PolarHBondContact O-N 3.35Å; C438-N440 VanDerWaalsContact O-N 3.16Å; N440-Q442 PolarHBondContact ND2-OE1 3.4Å; N440-Q442 VanDerWaalsContact OD1-CB 3.25Å; N440-Q442 WeakPolarHBondContact OD1-CB 3.38Å; N440-Q442 PolarHBondContact OD1-N 2.85Å
441	G	73.5	Confident	72.9	Confident	8 Å²	8	60.7 Å²	60.7	8%	0.082	32%	0.323	C	S	.	.	S	Bend	trans	115.4	-19.2	-176.5	0	0	0	0	0	114.3	C438 N439	C438-G441 PolarHBondContact O-N 3.02Å; N439-G441 PolarHBondContact O-N 2.84Å
442	Q	75.4	Confident	73.1	Confident	40 Å²	40	62.2 Å²	62.2	19%	0.187	32%	0.324	C	S	.	.			trans	-66.4	139.9	-170.9	-169.2	176.1	10.7	0	0	112.7	C412 D413 R437 C438 N440	C412-Q442 WeakPolarHBondContact O-CA 2.99Å; D413-Q442 PolarHBondContact O-NE2 3.3Å; R437-Q442 WeakPolarHBondContact CA-O 3.24Å; C438-Q442 HydrophobicContact CB-CB 4.36Å; C438-Q442 PolarHBondContact N-O 2.55Å; N440-Q442 PolarHBondContact ND2-OE1 3.4Å; N440-Q442 VanDerWaalsContact OD1-CB 3.25Å; N440-Q442 WeakPolarHBondContact OD1-CB 3.38Å; N440-Q442 PolarHBondContact OD1-N 2.85Å
443	C	77.9	Confident	73.9	Confident	11 Å²	11	60.1 Å²	60.1	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	108.2	-178.3	-62.3	0	0	0	0	110.6	C412 C430 F436	C412-C443 HydrophobicContact CB-CB 4.01Å; C412-C443 WeakPolarHBondContact CB-SG 3.45Å; C412-C443 PolarHBondContact O-N 3.5Å; C430-C443 WeakPolarHBondContact CA-SG 2.99Å; C430-C443 HydrophobicContact CB-CB 3.74Å; C430-C443 WeakPolarHBondContact CB-SG 3.44Å; C430-C443 VanDerWaalsContact SG-CA 3.52Å; C430-C443 WeakPolarHBondContact SG-CB 2.99Å; C430-C443 CovalentContact SG-SG 2.03Å; C430-C443 PolarHBondContact SG-SG 3.27Å; F436-C443 CarbonylContact O-C 3.44Å; F436-C443 WeakPolarHBondContact O-CA 3.46Å
444	L	74.1	Confident	74.9	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.037	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135	176	-66.3	-178.9	0	0	0	109.8	H435 F436 C438 R448 D455 D461	H435-L444 CarbonylContact C-O 3.57Å; H435-L444 VanDerWaalsContact CA-O 3.24Å; H435-L444 WeakPolarHBondContact CA-O 3.38Å; H435-L444 WeakPolarHBondContact CB-O 3.49Å; F436-L444 HydrophobicContact CD1-CD1 4.46Å; F436-L444 PolarHBondContact N-O 2.97Å; F436-L444 PolarHBondContact O-N 3.42Å; C438-L444 VanDerWaalsContact SG-CD1 3.53Å; L444-R448 HydrophobicContact CB-CB 4.15Å; L444-R448 HydrophobicContact CD1-CB 4.48Å; L444-D455 HydrophobicContact CD1-CB 3.65Å; L444-D455 HydrophobicContact CD2-CB 4.1Å; L444-D461 HydrophobicContact CD1-CB 4.41Å
445	P	74.8	Confident	75.6	Confident	53 Å²	53	54.7 Å²	54.7	34%	0.344	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	148.6	167.5	-25.3	35.1	0	0	0	110.8	T447 R448	P445-T447 PolarHBondContact O-N 3.43Å; P445-R448 WeakPolarHBondContact O-CA 3.01Å; P445-R448 WeakPolarHBondContact O-CB 2.98Å; P445-R448 PolarHBondContact O-N 2.94Å
446	L	71.7	Confident	76.1	Confident	56 Å²	56	52.7 Å²	52.7	29%	0.293	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-61.4	-11.5	-179.1	-81.5	176.7	0	0	0	114.9	P433 T434 F436 P471	P433-L446 WeakPolarHBondContact O-CD1 3.19Å; T434-L446 WeakPolarHBondContact O-CG 3.47Å; T434-L446 PolarHBondContact O-N 3.29Å; F436-L446 HydrophobicContact CB-CD2 4.25Å; L446-P471 HydrophobicContact CB-CB 4.36Å; L446-P471 HydrophobicContact CB-CG 4.06Å; L446-P471 HydrophobicContact CD1-CB 4.44Å
447	T	70.2	Confident	76.2	Confident	80 Å²	80	54.5 Å²	54.5	49%	0.491	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-72.9	-16.4	168.6	52.5	0	0	0	0	113.6	P445 Y474	P445-T447 PolarHBondContact O-N 3.43Å; T447-Y474 WeakPolarHBondContact CG2-OH 3.23Å
448	R	77	Confident	76.1	Confident	114 Å²	114	54.5 Å²	54.5	43%	0.43	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-106.4	21.7	176.7	-58.4	-169.3	81.1	164.4	4.3	112.6	L444 P445 N451 D455	L444-R448 HydrophobicContact CB-CB 4.15Å; L444-R448 HydrophobicContact CD1-CB 4.48Å; P445-R448 WeakPolarHBondContact O-CA 3.01Å; P445-R448 WeakPolarHBondContact O-CB 2.98Å; P445-R448 PolarHBondContact O-N 2.94Å; R448-N451 WeakPolarHBondContact CA-ND2 3.35Å; R448-D455 HydrophobicContact CB-CB 4.43Å; R448-D455 WeakPolarHBondContact CB-OD2 3.33Å; R448-D455 IonicContact CZ-OD1 2.76Å; R448-D455 IonicContact CZ-OD2 3.56Å; R448-D455 IonicContact NE-OD1 3.8Å; R448-D455 IonicContact NE-OD2 3.94Å; R448-D455 PolarHBondContact NE-OD2 2.03Å; R448-D455 IonicContact NH2-OD1 3.84Å; R448-D455 PolarHBondContact NH2-OD1 3.24Å; R448-D455 IonicContact NH2-OD2 2.97Å; R448-D455 PolarHBondContact NH2-OD2 2.63Å
449	Y	75.6	Confident	75.9	Confident	80 Å²	80	60.6 Å²	60.6	31%	0.314	32%	0.319	S	S	.	.	S	Bend	trans	-112.5	119	171.7	-178.4	-114.9	0	0	0	109.1	F436 D461	F436-Y449 HydrophobicContact CB-CD2 4.18Å; F436-Y449 HydrophobicContact CB-CG 4.26Å; F436-Y449 AromaticContact CD1-CD2 3.69Å; F436-Y449 HydrophobicContact CD1-CD2 3.69Å; F436-Y449 HydrophobicContact CD1-CE2 4.3Å; F436-Y449 AromaticContact CD2-CD2 3.49Å; F436-Y449 HydrophobicContact CD2-CD2 3.49Å; F436-Y449 VanDerWaalsContact CD2-CD2 3.49Å; F436-Y449 AromaticContact CD2-CE2 3.58Å; F436-Y449 HydrophobicContact CD2-CE2 3.58Å; F436-Y449 HydrophobicContact CD2-CG 4.15Å; F436-Y449 AromaticContact CE1-CD2 3.86Å; F436-Y449 HydrophobicContact CE1-CD2 3.86Å; F436-Y449 HydrophobicContact CE1-CE2 4.09Å; F436-Y449 AromaticContact CE2-CD2 3.68Å; F436-Y449 HydrophobicContact CE2-CD2 3.68Å; F436-Y449 AromaticContact CE2-CE2 3.34Å; F436-Y449 HydrophobicContact CE2-CE2 3.34Å; F436-Y449 AromaticContact CG-CD2 3.49Å; F436-Y449 HydrophobicContact CG-CD2 3.49Å; F436-Y449 VanDerWaalsContact CG-CD2 3.49Å; F436-Y449 HydrophobicContact CG-CE2 4.07Å; F436-Y449 HydrophobicContact CG-CG 4.06Å; F436-Y449 AromaticContact CZ-CD2 3.86Å; F436-Y449 HydrophobicContact CZ-CD2 3.86Å; F436-Y449 AromaticContact CZ-CE2 3.62Å; F436-Y449 HydrophobicContact CZ-CE2 3.62Å; Y449-D461 HydrophobicContact CD2-CB 4.45Å
450	C	74.3	Confident	76.1	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.047	29%	0.293	C	S	.	.	S	Bend	trans	58.9	50.6	-177.3	-42.7	0	0	0	0	113.3	D461 E462 C466 Y486	C450-D461 PolarHBondContact N-O 3.1Å; C450-D461 PolarHBondContact SG-O 3.21Å; C450-E462 VanDerWaalsContact C-OE1 3.23Å; C450-E462 WeakPolarHBondContact CA-OE1 3.14Å; C450-E462 PolarHBondContact N-OE1 2.76Å; C450-C466 HydrophobicContact CB-CB 3.99Å; C450-C466 WeakPolarHBondContact CB-SG 3.39Å; C450-C466 WeakPolarHBondContact SG-CB 3.35Å; C450-C466 CovalentContact SG-SG 2.02Å; C450-C466 PolarHBondContact SG-SG 3.05Å; C450-Y486 PolarHBondContact O-OH 3.06Å
451	N	71.5	Confident	76.3	Confident	43 Å²	43	52.2 Å²	52.2	23%	0.23	27%	0.273	C	S	.	.	S	Bend	trans	-106.6	4.6	177.3	71.2	-2.8	0	0	0	113.5	R448 V453 D455 E462	R448-N451 WeakPolarHBondContact CA-ND2 3.35Å; N451-V453 VanDerWaalsContact C-N 3.26Å; N451-V453 PolarHBondContact O-N 2.84Å; N451-V453 WeakPolarHBondContact OD1-CA 3.32Å; N451-V453 WeakPolarHBondContact OD1-CB 3.44Å; N451-V453 PolarHBondContact OD1-N 2.94Å; N451-V453 PolarHBondContact OD1-O 2.83Å; N451-D455 PolarHBondContact ND2-OD2 2.98Å; N451-E462 PolarHBondContact N-OE1 2.72Å; N451-E462 PolarHBondContact OD1-OE1 2.89Å
452	F	67.8	Low	76.5	Confident	79 Å²	79	54.2 Å²	54.2	35%	0.346	28%	0.281	S	S	.	.	S	Bend	trans	69.6	6.9	-172	-56.7	-86.1	0	0	0	116.2	E462 T484 Y486	F452-E462 VanDerWaalsContact CA-CD 3.47Å; F452-E462 VanDerWaalsContact CA-OE2 3.29Å; F452-E462 WeakPolarHBondContact CA-OE2 3.36Å; F452-E462 PolarHBondContact N-OE1 3.26Å; F452-E462 PolarHBondContact N-OE2 3.27Å; F452-T484 WeakPolarHBondContact CZ-O 3.45Å; F452-Y486 AromaticContact CE2-CD1 3.38Å; F452-Y486 HydrophobicContact CE2-CD1 3.38Å; F452-Y486 AromaticContact CE2-CE1 3.43Å; F452-Y486 HydrophobicContact CE2-CE1 3.43Å; F452-Y486 VanDerWaalsContact CE2-CE1 3.43Å; F452-Y486 HydrophobicContact CE2-CG 4.08Å; F452-Y486 AromaticContact CZ-CD1 3.74Å; F452-Y486 HydrophobicContact CZ-CD1 3.74Å; F452-Y486 AromaticContact CZ-CE1 3.65Å; F452-Y486 HydrophobicContact CZ-CE1 3.65Å
453	V	76.3	Confident	76.3	Confident	75 Å²	75	57.4 Å²	57.4	46%	0.455	30%	0.298	S	S	.	.	S	Bend	trans	-104	137.4	174.5	-167.5	0	0	0	0	108.7	N451 D455 E462	N451-V453 VanDerWaalsContact C-N 3.26Å; N451-V453 PolarHBondContact O-N 2.84Å; N451-V453 WeakPolarHBondContact OD1-CA 3.32Å; N451-V453 WeakPolarHBondContact OD1-CB 3.44Å; N451-V453 PolarHBondContact OD1-N 2.94Å; N451-V453 PolarHBondContact OD1-O 2.83Å; V453-D455 WeakPolarHBondContact CG1-OD1 3.4Å; V453-D455 PolarHBondContact O-N 3.38Å; V453-E462 VanDerWaalsContact O-CG 3.28Å; V453-E462 WeakPolarHBondContact O-CG 3.4Å
454	S	82.5	Confident	75.4	Confident	58 Å²	58	65.5 Å²	65.5	41%	0.406	34%	0.341	S	S	.	.			trans	-80	75.9	174	-175.5	0	0	0	0	109	C456 K459	S454-C456 PolarHBondContact OG-O 3.18Å; S454-C456 VanDerWaalsContact OG-O 3.11Å; S454-K459 WeakPolarHBondContact OG-CE 3.02Å; S454-K459 WeakPolarHBondContact OG-CG 3.09Å
455	D	82.1	Confident	74.7	Confident	24 Å²	24	68.5 Å²	68.5	13%	0.128	37%	0.373	C	S	.	.			trans	-80.9	-30.1	179	-69.9	-29	0	0	0	111.1	L444 R448 N451 V453 D461	L444-D455 HydrophobicContact CD1-CB 3.65Å; L444-D455 HydrophobicContact CD2-CB 4.1Å; R448-D455 HydrophobicContact CB-CB 4.43Å; R448-D455 WeakPolarHBondContact CB-OD2 3.33Å; R448-D455 IonicContact CZ-OD1 2.76Å; R448-D455 IonicContact CZ-OD2 3.56Å; R448-D455 IonicContact NE-OD1 3.8Å; R448-D455 IonicContact NE-OD2 3.94Å; R448-D455 PolarHBondContact NE-OD2 2.03Å; R448-D455 IonicContact NH2-OD1 3.84Å; R448-D455 PolarHBondContact NH2-OD1 3.24Å; R448-D455 IonicContact NH2-OD2 2.97Å; R448-D455 PolarHBondContact NH2-OD2 2.63Å; N451-D455 PolarHBondContact ND2-OD2 2.98Å; V453-D455 WeakPolarHBondContact CG1-OD1 3.4Å; V453-D455 PolarHBondContact O-N 3.38Å; D455-D461 WeakPolarHBondContact CA-OD2 3.42Å; D455-D461 PolarHBondContact N-OD2 3.12Å
456	C	83.7	Confident	74.3	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.007	37%	0.366	C	S	.	.	S	Bend	trans	-80.2	144.6	160.3	-64.1	0	0	0	0	111.2	C438 S454 D458 K459 D461	C438-C456 HydrophobicContact CB-CB 3.88Å; C438-C456 WeakPolarHBondContact CB-SG 3.34Å; C438-C456 WeakPolarHBondContact SG-CA 3.42Å; C438-C456 WeakPolarHBondContact SG-CB 3.27Å; C438-C456 CovalentContact SG-SG 2.04Å; C438-C456 PolarHBondContact SG-SG 3.41Å; S454-C456 PolarHBondContact OG-O 3.18Å; S454-C456 VanDerWaalsContact OG-O 3.11Å; C456-D458 VanDerWaalsContact C-N 3.28Å; C456-D458 PolarHBondContact O-N 3.38Å; C456-K459 PolarHBondContact O-N 3.13Å; C456-D461 HydrophobicContact CB-CB 4.39Å; C456-D461 PolarHBondContact N-OD2 2.65Å
457	P	78.9	Confident	73.6	Confident	82 Å²	82	70.9 Å²	70.9	53%	0.532	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.3	175.1	-25	34.4	0	0	0	114.3
458	D	77.6	Confident	73	Confident	111 Å²	111	72.9 Å²	72.9	59%	0.594	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	6.8	-171.7	-65.9	-57.1	0	0	0	114	C456 E460	C456-D458 VanDerWaalsContact C-N 3.28Å; C456-D458 PolarHBondContact O-N 3.38Å; D458-E460 HydrophobicContact CB-CG 3.8Å
459	K	77.7	Confident	72.1	Confident	130 Å²	130	74.4 Å²	74.4	57%	0.565	40%	0.398	S	S	*	.	S	Bend	trans	63.2	40.4	178.6	-62.1	178	-178.4	-162.9	0	115	S454 C456 D461 E462	S454-K459 WeakPolarHBondContact OG-CE 3.02Å; S454-K459 WeakPolarHBondContact OG-CG 3.09Å; C456-K459 PolarHBondContact O-N 3.13Å; K459-D461 WeakPolarHBondContact CA-OD1 3.46Å; K459-E462 CarbonylContact O-C 3.53Å
460	E	82.5	Confident	71.5	Confident	37 Å²	37	71.9 Å²	71.9	17%	0.173	39%	0.391	C	S	.	.			trans	-92.2	-27.6	-173.6	-52.4	-172.3	143.3	0	0	113.1	N439 D458 E462 L463	N439-E460 WeakPolarHBondContact CB-OE2 3.42Å; N439-E460 PolarHBondContact N-OE2 2.77Å; N439-E460 PolarHBondContact ND2-OE1 2.03Å; N439-E460 PolarHBondContact ND2-OE2 3.32Å; N439-E460 VanDerWaalsContact ND2-OE2 3.13Å; D458-E460 HydrophobicContact CB-CG 3.8Å; E460-E462 VanDerWaalsContact C-N 3.29Å; E460-L463 WeakPolarHBondContact O-CD1 3.02Å; E460-L463 WeakPolarHBondContact O-CG 3.31Å
461	D	77.1	Confident	70.8	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.7	156.3	49.3	-9.1	0	0	0	112.7	F436 L444 Y449 C450 D455 C456 K459	F436-D461 HydrophobicContact CE1-CB 4.21Å; L444-D461 HydrophobicContact CD1-CB 4.41Å; Y449-D461 HydrophobicContact CD2-CB 4.45Å; C450-D461 PolarHBondContact N-O 3.1Å; C450-D461 PolarHBondContact SG-O 3.21Å; D455-D461 WeakPolarHBondContact CA-OD2 3.42Å; D455-D461 PolarHBondContact N-OD2 3.12Å; C456-D461 HydrophobicContact CB-CB 4.39Å; C456-D461 PolarHBondContact N-OD2 2.65Å; K459-D461 WeakPolarHBondContact CA-OD1 3.46Å
462	E	78.4	Confident	70.2	Confident	51 Å²	51	76.8 Å²	76.8	24%	0.238	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	32.2	-173.9	-65.8	-57.2	138.4	0	0	113.8	C450 N451 F452 V453 K459 E460 D464	C450-E462 VanDerWaalsContact C-OE1 3.23Å; C450-E462 WeakPolarHBondContact CA-OE1 3.14Å; C450-E462 PolarHBondContact N-OE1 2.76Å; N451-E462 PolarHBondContact N-OE1 2.72Å; N451-E462 PolarHBondContact OD1-OE1 2.89Å; F452-E462 VanDerWaalsContact CA-CD 3.47Å; F452-E462 VanDerWaalsContact CA-OE2 3.29Å; F452-E462 WeakPolarHBondContact CA-OE2 3.36Å; F452-E462 PolarHBondContact N-OE1 3.26Å; F452-E462 PolarHBondContact N-OE2 3.27Å; V453-E462 VanDerWaalsContact O-CG 3.28Å; V453-E462 WeakPolarHBondContact O-CG 3.4Å; K459-E462 CarbonylContact O-C 3.53Å; E460-E462 VanDerWaalsContact C-N 3.29Å; E462-D464 PolarHBondContact O-N 2.75Å
463	L	70.3	Confident	69.7	Low	107 Å²	107	75.7 Å²	75.7	56%	0.56	45%	0.446	S	S	*	.			trans	-59	136.9	-178.3	-83.3	168.6	0	0	0	113.3	E460 G465 C466	E460-L463 WeakPolarHBondContact O-CD1 3.02Å; E460-L463 WeakPolarHBondContact O-CG 3.31Å; L463-G465 PolarHBondContact O-N 2.78Å; L463-C466 PolarHBondContact O-N 3.2Å
464	D	60	Low	69.2	Low	181 Å²	181	76 Å²	76	97%	0.968	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	75.1	178.5	-166.6	20.6	0	0	0	111.4	E462	E462-D464 PolarHBondContact O-N 2.75Å
465	G	59.3	Low	68.3	Low	70 Å²	70	76.2 Å²	76.2	72%	0.722	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	156.1	-9.4	-165.1	0	0	0	0	0	114.1	L463 N467	L463-G465 PolarHBondContact O-N 2.78Å; G465-N467 PolarHBondContact O-N 2.81Å; G465-N467 VanDerWaalsContact O-N 3.07Å
466	C	64.9	Low	67.7	Low	27 Å²	27	76.8 Å²	76.8	18%	0.182	45%	0.449	C	S	.	.			trans	-56.7	117.2	171.7	-175.9	0	0	0	0	110.3	C450 L463 R468	C450-C466 HydrophobicContact CB-CB 3.99Å; C450-C466 WeakPolarHBondContact CB-SG 3.39Å; C450-C466 WeakPolarHBondContact SG-CB 3.35Å; C450-C466 CovalentContact SG-SG 2.02Å; C450-C466 PolarHBondContact SG-SG 3.05Å; L463-C466 PolarHBondContact O-N 3.2Å; C466-R468 WeakPolarHBondContact O-CG 3.24Å; C466-R468 PolarHBondContact O-N 3.25Å; C466-R468 VanDerWaalsContact O-N 3.08Å
467	N	58.1	Low	66.9	Low	131 Å²	131	80.4 Å²	80.4	70%	0.701	47%	0.465	S	S	*	.			trans	-74.9	105.1	178.9	-169.2	20	0	0	0	107.6	G465 M469	G465-N467 PolarHBondContact O-N 2.81Å; G465-N467 VanDerWaalsContact O-N 3.07Å; N467-M469 PolarHBondContact O-N 3.37Å
468	R	58.1	Low	66.7	Low	123 Å²	123	76.7 Å²	76.7	46%	0.464	44%	0.441	S	S	.	.			trans	-66.9	57.5	-165.6	-54.2	175.9	-176.8	-173.7	2.8	114	C466 K477 Y486	C466-R468 WeakPolarHBondContact O-CG 3.24Å; C466-R468 PolarHBondContact O-N 3.25Å; C466-R468 VanDerWaalsContact O-N 3.08Å; R468-K477 PolarHBondContact O-NZ 3.27Å; R468-Y486 HydrophobicContact CB-CD1 4.5Å; R468-Y486 HydrophobicContact CB-CE1 3.62Å; R468-Y486 HydrophobicContact CG-CE1 3.74Å
469	M	58	Low	66.2	Low	146 Å²	146	74.9 Å²	74.9	72%	0.719	43%	0.43	S	S	*	.			trans	-105.4	132.6	178.9	-167.5	98.1	78.2	0	0	107.2	N467	N467-M469 PolarHBondContact O-N 3.37Å
470	C	62	Low	65.3	Low	26 Å²	26	71.5 Å²	71.5	18%	0.176	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-66.7	151.8	176.1	-56.2	0	0	0	0	110.8	Y474 C488	C470-Y474 VanDerWaalsContact CB-CB 3.41Å; C470-Y474 HydrophobicContact CB-CG 4.16Å; C470-C488 VanDerWaalsContact CA-SG 3.56Å; C470-C488 HydrophobicContact CB-CB 3.66Å; C470-C488 WeakPolarHBondContact CB-SG 3.32Å; C470-C488 WeakPolarHBondContact SG-CB 3.32Å; C470-C488 CovalentContact SG-SG 2.03Å; C470-C488 PolarHBondContact SG-SG 3.33Å
471	P	60.2	Low	64.1	Low	37 Å²	37	78.2 Å²	78.2	24%	0.24	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-57.5	160.1	175.6	-24.8	34.5	0	0	0	113.2	L446 G473 Y474	L446-P471 HydrophobicContact CB-CB 4.36Å; L446-P471 HydrophobicContact CB-CG 4.06Å; L446-P471 HydrophobicContact CD1-CB 4.44Å; P471-G473 PolarHBondContact O-N 2.93Å; P471-G473 VanDerWaalsContact O-N 3.16Å; P471-Y474 HydrophobicContact CB-CD2 4Å; P471-Y474 HydrophobicContact CB-CE2 4.29Å; P471-Y474 HydrophobicContact CG-CD2 4.27Å; P471-Y474 HydrophobicContact CG-CE2 4.41Å; P471-Y474 WeakPolarHBondContact O-CD2 3.14Å; P471-Y474 PolarHBondContact O-N 3.06Å; P471-Y474 VanDerWaalsContact O-N 3.12Å
472	A	59.3	Low	62.9	Low	116 Å²	116	86.6 Å²	86.6	96%	0.959	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	119.3	176	0	0	0	0	0	110.7
473	G	57.5	Low	61.8	Low	56 Å²	56	89.9 Å²	89.9	58%	0.577	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	124.7	-24.9	-171.5	0	0	0	0	0	113	P471 A491	P471-G473 PolarHBondContact O-N 2.93Å; P471-G473 VanDerWaalsContact O-N 3.16Å; G473-A491 PolarHBondContact O-N 3.5Å
474	Y	65.7	Low	61.1	Low	81 Å²	81	89 Å²	89	32%	0.318	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.6	177	-66.4	-93.4	0	0	0	111.6	T447 C470 P471 C488 L489 P490	T447-Y474 WeakPolarHBondContact CG2-OH 3.23Å; C470-Y474 VanDerWaalsContact CB-CB 3.41Å; C470-Y474 HydrophobicContact CB-CG 4.16Å; P471-Y474 HydrophobicContact CB-CD2 4Å; P471-Y474 HydrophobicContact CB-CE2 4.29Å; P471-Y474 HydrophobicContact CG-CD2 4.27Å; P471-Y474 HydrophobicContact CG-CE2 4.41Å; P471-Y474 WeakPolarHBondContact O-CD2 3.14Å; P471-Y474 PolarHBondContact O-N 3.06Å; P471-Y474 VanDerWaalsContact O-N 3.12Å; Y474-C488 HydrophobicContact CD1-CB 3.66Å; Y474-C488 WeakPolarHBondContact CD1-O 3.49Å; Y474-C488 HydrophobicContact CE1-CB 4.28Å; Y474-C488 WeakPolarHBondContact CE1-O 3.03Å; Y474-C488 HydrophobicContact CG-CB 4.08Å; Y474-L489 CarbonylContact C-O 3.46Å; Y474-L489 WeakPolarHBondContact CA-O 3.31Å; Y474-L489 VanDerWaalsContact CD1-C 3.43Å; Y474-P490 HydrophobicContact CD1-CB 4.46Å; Y474-P490 HydrophobicContact CE1-CB 4.42Å
475	A	63.6	Low	61	Low	63 Å²	63	85.4 Å²	85.4	52%	0.521	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-39.2	-170.1	0	0	0	0	0	114.2	L489 A491 V494	A475-L489 PolarHBondContact N-O 3.38Å; A475-A491 HydrophobicContact CB-CB 4.02Å; A475-V494 HydrophobicContact CB-CG2 3.92Å
476	V	68.2	Low	61.2	Low	36 Å²	36	83.2 Å²	83.2	22%	0.218	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.2	178.5	169.3	0	0	0	0	111	L489 V494 D506	V476-L489 PolarHBondContact O-N 2.69Å; V476-V494 HydrophobicContact CB-CG1 4.48Å; V476-V494 HydrophobicContact CB-CG2 3.67Å; V476-V494 HydrophobicContact CG2-CB 4.31Å; V476-V494 HydrophobicContact CG2-CG1 3.62Å; V476-V494 HydrophobicContact CG2-CG2 3.63Å; V476-D506 HydrophobicContact CG1-CB 4.49Å
477	K	68.2	Low	61.3	Low	78 Å²	78	83 Å²	83	34%	0.339	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.2	-179.1	-178.2	-173.3	-179.3	-179.6	0	110.1	R468 Y486 G487	R468-K477 PolarHBondContact O-NZ 3.27Å; K477-Y486 HydrophobicContact CD-CD2 4.25Å; K477-Y486 HydrophobicContact CD-CG 4.25Å; K477-Y486 VanDerWaalsContact CE-CD2 3.4Å; K477-Y486 HydrophobicContact CG-CD2 3.96Å; K477-Y486 HydrophobicContact CG-CG 4.11Å; K477-G487 CarbonylContact C-O 3.54Å; K477-G487 VanDerWaalsContact CA-O 3.27Å; K477-G487 WeakPolarHBondContact CA-O 3.2Å
478	C	73.9	Confident	62	Low	4 Å²	4	78.6 Å²	78.6	3%	0.027	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	143.2	176.1	-54	0	0	0	0	111.5	Y486 G487 L489 C501	C478-Y486 CarbonylContact O-C 3.45Å; C478-Y486 WeakPolarHBondContact O-CA 3.13Å; C478-Y486 WeakPolarHBondContact O-CB 3.39Å; C478-G487 PolarHBondContact N-O 3.49Å; C478-G487 PolarHBondContact O-N 2.98Å; C478-L489 WeakPolarHBondContact SG-CD1 3.18Å; C478-C501 WeakPolarHBondContact CA-SG 3.38Å; C478-C501 HydrophobicContact CB-CB 3.65Å; C478-C501 WeakPolarHBondContact CB-SG 2.96Å; C478-C501 WeakPolarHBondContact SG-CA 3.49Å; C478-C501 WeakPolarHBondContact SG-CB 3.23Å; C478-C501 CovalentContact SG-SG 2.03Å; C478-C501 PolarHBondContact SG-SG 2.73Å
479	I	67.4	Low	62.6	Low	72 Å²	72	73.8 Å²	73.8	37%	0.369	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.2	170.2	-56.2	177	0	0	0	109.2	R481 R503 E505	I479-R481 PolarHBondContact O-N 3.41Å; I479-R503 WeakPolarHBondContact O-CD 3.46Å; I479-R503 PolarHBondContact O-NE 3.26Å; I479-E505 PolarHBondContact N-OE2 3.17Å
480	L	58.3	Low	63.2	Low	59 Å²	59	68.4 Å²	68.4	31%	0.309	39%	0.392	S	S	.	.			trans	-75.8	123.6	-179.1	-57.1	179.8	0	0	0	110.1	E485 D502	L480-E485 HydrophobicContact CB-CB 4Å; L480-E485 PolarHBondContact N-O 3.36Å; L480-D502 HydrophobicContact CD2-CB 3.73Å
481	R	56.7	Low	63.5	Low	178 Å²	178	70.1 Å²	70.1	67%	0.672	41%	0.408	S	S	*	.	S	Bend	trans	35.4	-132.6	-180	-83.3	133.7	-149.1	-125.2	-0.3	116	I479 D502 R503	I479-R481 PolarHBondContact O-N 3.41Å; R481-D502 VanDerWaalsContact CD-OD2 3.23Å; R481-D502 WeakPolarHBondContact CD-OD2 3.49Å; R481-D502 WeakPolarHBondContact CG-OD2 3.22Å; R481-D502 IonicContact CZ-OD1 2.67Å; R481-D502 VanDerWaalsContact CZ-OD1 3.27Å; R481-D502 IonicContact CZ-OD2 3.27Å; R481-D502 PolarHBondContact N-OD2 3.09Å; R481-D502 VanDerWaalsContact NE-CG 3.28Å; R481-D502 IonicContact NE-OD1 3.93Å; R481-D502 PolarHBondContact NE-OD1 2.79Å; R481-D502 IonicContact NE-OD2 2.78Å; R481-D502 PolarHBondContact NE-OD2 2.81Å; R481-D502 IonicContact NH2-OD1 2.64Å; R481-D502 PolarHBondContact NH2-OD1 2.93Å; R481-R503 PolarHBondContact O-NH2 3.43Å
482	Q	52.4	Low	64.2	Low	176 Å²	176	74.8 Å²	74.8	82%	0.822	43%	0.427	S	S	*	.	S	Bend	trans	-113.7	141.7	-176.9	-65.8	-172.4	9.5	0	0	108.5
483	T	54.8	Low	65	Low	120 Å²	120	71.7 Å²	71.7	74%	0.736	39%	0.392	S	S	*	.	S	Bend	trans	69	92.1	-173	60.5	0	0	0	0	116.6	E485	T483-E485 PolarHBondContact O-N 2.85Å
484	T	56.7	Low	65.8	Low	88 Å²	88	70.2 Å²	70.2	54%	0.54	37%	0.371	S	S	.	.	S	Bend	trans	70.1	-26	150.1	38.4	0	0	0	0	121.8	F452	F452-T484 WeakPolarHBondContact CZ-O 3.45Å
485	E	57.1	Low	66.1	Low	106 Å²	106	67.5 Å²	67.5	50%	0.495	36%	0.364	S	S	.	.			trans	-62.1	148.4	178.4	-70.6	169.8	-174.2	0	0	112.8	L480 T483	L480-E485 HydrophobicContact CB-CB 4Å; L480-E485 PolarHBondContact N-O 3.36Å; T483-E485 PolarHBondContact O-N 2.85Å
486	Y	64.6	Low	66.6	Low	25 Å²	25	66.5 Å²	66.5	10%	0.098	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	150.6	171.8	65.7	-100.6	0	0	0	112.4	C450 F452 R468 K477 C478	C450-Y486 PolarHBondContact O-OH 3.06Å; F452-Y486 AromaticContact CE2-CD1 3.38Å; F452-Y486 HydrophobicContact CE2-CD1 3.38Å; F452-Y486 AromaticContact CE2-CE1 3.43Å; F452-Y486 HydrophobicContact CE2-CE1 3.43Å; F452-Y486 VanDerWaalsContact CE2-CE1 3.43Å; F452-Y486 HydrophobicContact CE2-CG 4.08Å; F452-Y486 AromaticContact CZ-CD1 3.74Å; F452-Y486 HydrophobicContact CZ-CD1 3.74Å; F452-Y486 AromaticContact CZ-CE1 3.65Å; F452-Y486 HydrophobicContact CZ-CE1 3.65Å; R468-Y486 HydrophobicContact CB-CD1 4.5Å; R468-Y486 HydrophobicContact CB-CE1 3.62Å; R468-Y486 HydrophobicContact CG-CE1 3.74Å; K477-Y486 HydrophobicContact CD-CD2 4.25Å; K477-Y486 HydrophobicContact CD-CG 4.25Å; K477-Y486 VanDerWaalsContact CE-CD2 3.4Å; K477-Y486 HydrophobicContact CG-CD2 3.96Å; K477-Y486 HydrophobicContact CG-CG 4.11Å; C478-Y486 CarbonylContact O-C 3.45Å; C478-Y486 WeakPolarHBondContact O-CA 3.13Å; C478-Y486 WeakPolarHBondContact O-CB 3.39Å
487	G	66.8	Low	66.7	Low	23 Å²	23	66.1 Å²	66.1	24%	0.237	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	161.8	166.1	0	0	0	0	0	111	K477 C478	K477-G487 CarbonylContact C-O 3.54Å; K477-G487 VanDerWaalsContact CA-O 3.27Å; K477-G487 WeakPolarHBondContact CA-O 3.2Å; C478-G487 PolarHBondContact N-O 3.49Å; C478-G487 PolarHBondContact O-N 2.98Å
488	C	72.2	Confident	67.2	Low	38 Å²	38	65.9 Å²	65.9	26%	0.257	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.3	174.2	-73.7	0	0	0	0	109.1	C470 Y474	C470-C488 VanDerWaalsContact CA-SG 3.56Å; C470-C488 HydrophobicContact CB-CB 3.66Å; C470-C488 WeakPolarHBondContact CB-SG 3.32Å; C470-C488 WeakPolarHBondContact SG-CB 3.32Å; C470-C488 CovalentContact SG-SG 2.03Å; C470-C488 PolarHBondContact SG-SG 3.33Å; Y474-C488 HydrophobicContact CD1-CB 3.66Å; Y474-C488 WeakPolarHBondContact CD1-O 3.49Å; Y474-C488 HydrophobicContact CE1-CB 4.28Å; Y474-C488 WeakPolarHBondContact CE1-O 3.03Å; Y474-C488 HydrophobicContact CG-CB 4.08Å
489	L	70.8	Confident	67.5	Low	22 Å²	22	68.5 Å²	68.5	12%	0.115	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.9	179.6	-67.2	174.5	0	0	0	111.4	Y474 A475 V476 C478 K493 V494 D500 D506	Y474-L489 CarbonylContact C-O 3.46Å; Y474-L489 WeakPolarHBondContact CA-O 3.31Å; Y474-L489 VanDerWaalsContact CD1-C 3.43Å; A475-L489 PolarHBondContact N-O 3.38Å; V476-L489 PolarHBondContact O-N 2.69Å; C478-L489 WeakPolarHBondContact SG-CD1 3.18Å; L489-K493 HydrophobicContact CB-CB 4.09Å; L489-K493 WeakPolarHBondContact CD1-O 3.42Å; L489-K493 HydrophobicContact CD2-CB 4.32Å; L489-V494 HydrophobicContact CB-CG2 4.37Å; L489-D500 HydrophobicContact CD1-CB 3.88Å; L489-D500 HydrophobicContact CD2-CB 3.73Å; L489-D500 HydrophobicContact CG-CB 4.48Å; L489-D506 HydrophobicContact CD1-CB 3.76Å
490	P	71.6	Confident	68.1	Low	33 Å²	33	68.2 Å²	68.2	21%	0.214	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	163.2	175.4	27.2	-32.6	0	0	0	111.3	Y474 E492 K493	Y474-P490 HydrophobicContact CD1-CB 4.46Å; Y474-P490 HydrophobicContact CE1-CB 4.42Å; P490-E492 VanDerWaalsContact CB-OE1 3.26Å; P490-E492 WeakPolarHBondContact CB-OE1 3.38Å; P490-E492 HydrophobicContact CG-CG 4.32Å; P490-E492 VanDerWaalsContact CG-OE1 3.24Å; P490-E492 WeakPolarHBondContact CG-OE1 3.31Å; P490-E492 PolarHBondContact O-N 2.04Å; P490-K493 HydrophobicContact CG-CB 3.86Å; P490-K493 HydrophobicContact CG-CG 4.05Å; P490-K493 WeakPolarHBondContact O-CA 3.02Å; P490-K493 WeakPolarHBondContact O-CB 3.38Å; P490-K493 PolarHBondContact O-N 2.93Å
491	A	68.4	Low	69	Low	62 Å²	62	65.6 Å²	65.6	51%	0.512	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	-173.4	0	0	0	0	0	114.9	G473 A475 K493	G473-A491 PolarHBondContact O-N 3.5Å; A475-A491 HydrophobicContact CB-CB 4.02Å; A491-K493 VanDerWaalsContact C-N 3.35Å
492	E	73.8	Confident	70	Confident	134 Å²	134	60.1 Å²	60.1	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-35.6	169.7	57.9	-96.3	170.6	0	0	113	P490 V494 K514	P490-E492 VanDerWaalsContact CB-OE1 3.26Å; P490-E492 WeakPolarHBondContact CB-OE1 3.38Å; P490-E492 HydrophobicContact CG-CG 4.32Å; P490-E492 VanDerWaalsContact CG-OE1 3.24Å; P490-E492 WeakPolarHBondContact CG-OE1 3.31Å; P490-E492 PolarHBondContact O-N 2.04Å; E492-V494 PolarHBondContact O-N 3.28Å; E492-V494 VanDerWaalsContact O-N 3.14Å; E492-K514 PolarHBondContact O-NZ 2.92Å
493	K	75.9	Confident	71.1	Confident	52 Å²	52	57.3 Å²	57.3	23%	0.226	33%	0.327	C	S	.	.	S	Bend	trans	-86.4	36.5	-174.1	-87.6	-80.9	159.5	-154.4	0	113.2	L489 P490 A491 D496 D500	L489-K493 HydrophobicContact CB-CB 4.09Å; L489-K493 WeakPolarHBondContact CD1-O 3.42Å; L489-K493 HydrophobicContact CD2-CB 4.32Å; P490-K493 HydrophobicContact CG-CB 3.86Å; P490-K493 HydrophobicContact CG-CG 4.05Å; P490-K493 WeakPolarHBondContact O-CA 3.02Å; P490-K493 WeakPolarHBondContact O-CB 3.38Å; P490-K493 PolarHBondContact O-N 2.93Å; A491-K493 VanDerWaalsContact C-N 3.35Å; K493-D496 WeakPolarHBondContact CD-OD2 3.29Å; K493-D496 WeakPolarHBondContact CE-OD2 3.38Å; K493-D496 IonicContact NZ-OD1 2.62Å; K493-D496 IonicContact NZ-OD2 3.29Å; K493-D496 PolarHBondContact NZ-OD2 3.48Å; K493-D500 HydrophobicContact CD-CB 4.42Å; K493-D500 VanDerWaalsContact CD-CG 3.45Å; K493-D500 WeakPolarHBondContact CD-OD2 3.46Å; K493-D500 WeakPolarHBondContact CE-OD2 3.47Å; K493-D500 VanDerWaalsContact NZ-CG 3.3Å; K493-D500 IonicContact NZ-OD1 3.48Å; K493-D500 PolarHBondContact NZ-OD1 2.65Å; K493-D500 VanDerWaalsContact NZ-OD1 3.17Å; K493-D500 IonicContact NZ-OD2 2.71Å; K493-D500 PolarHBondContact NZ-OD2 3.08Å
494	V	75.4	Confident	72.1	Confident	24 Å²	24	57.4 Å²	57.4	15%	0.145	32%	0.317	C	S	.	.	S	Bend	trans	-140.7	128.6	175	179.9	0	0	0	0	107.3	A475 V476 L489 E492 D496 K514	A475-V494 HydrophobicContact CB-CG2 3.92Å; V476-V494 HydrophobicContact CB-CG1 4.48Å; V476-V494 HydrophobicContact CB-CG2 3.67Å; V476-V494 HydrophobicContact CG2-CB 4.31Å; V476-V494 HydrophobicContact CG2-CG1 3.62Å; V476-V494 HydrophobicContact CG2-CG2 3.63Å; L489-V494 HydrophobicContact CB-CG2 4.37Å; E492-V494 PolarHBondContact O-N 3.28Å; E492-V494 VanDerWaalsContact O-N 3.14Å; V494-D496 VanDerWaalsContact C-N 3.26Å; V494-D496 PolarHBondContact O-N 2.81Å; V494-K514 PolarHBondContact O-NZ 3.41Å
495	C	72.2	Confident	73.2	Confident	25 Å²	25	55.9 Å²	55.9	17%	0.169	30%	0.304	C	S	.	.	S	Bend	trans	55.4	41.8	-171	-54.7	0	0	0	0	111.9	E507 C510 K514 Q517	C495-E507 WeakPolarHBondContact CA-OE1 3.39Å; C495-E507 WeakPolarHBondContact CA-OE2 3.23Å; C495-E507 PolarHBondContact N-OE1 2.6Å; C495-C510 VanDerWaalsContact CA-SG 3.51Å; C495-C510 HydrophobicContact CB-CB 3.8Å; C495-C510 WeakPolarHBondContact CB-SG 3.43Å; C495-C510 WeakPolarHBondContact SG-CA 3.44Å; C495-C510 WeakPolarHBondContact SG-CB 3.29Å; C495-C510 CovalentContact SG-SG 2.03Å; C495-C510 PolarHBondContact SG-SG 2.74Å; C495-K514 VanDerWaalsContact C-NZ 3.32Å; C495-K514 WeakPolarHBondContact O-CE 3.41Å; C495-K514 PolarHBondContact O-NZ 3.05Å; C495-Q517 PolarHBondContact O-NE2 3.01Å; C495-Q517 VanDerWaalsContact O-NE2 3.13Å
496	D	72.8	Confident	74.2	Confident	41 Å²	41	50.9 Å²	50.9	22%	0.219	28%	0.281	C	S	.	.	S	Bend	trans	-96.7	-6.3	176.7	86.5	-9	0	0	0	113.6	K493 V494 V498 E507	K493-D496 WeakPolarHBondContact CD-OD2 3.29Å; K493-D496 WeakPolarHBondContact CE-OD2 3.38Å; K493-D496 IonicContact NZ-OD1 2.62Å; K493-D496 IonicContact NZ-OD2 3.29Å; K493-D496 PolarHBondContact NZ-OD2 3.48Å; V494-D496 VanDerWaalsContact C-N 3.26Å; V494-D496 PolarHBondContact O-N 2.81Å; D496-V498 WeakPolarHBondContact OD1-CA 3.29Å; D496-V498 VanDerWaalsContact OD1-CB 3.24Å; D496-V498 WeakPolarHBondContact OD1-CB 3.24Å; D496-V498 PolarHBondContact OD1-N 3.26Å; D496-E507 PolarHBondContact N-OE1 3.31Å; D496-E507 PolarHBondContact N-OE2 2.99Å
497	G	70.5	Confident	74.8	Confident	29 Å²	29	51.8 Å²	51.8	30%	0.299	29%	0.286	S	S	.	.	S	Bend	trans	94.7	-11.7	-177.1	0	0	0	0	0	113.8	E507	G497-E507 VanDerWaalsContact CA-OE2 3.31Å; G497-E507 WeakPolarHBondContact CA-OE2 3.36Å; G497-E507 PolarHBondContact N-OE2 3.11Å
498	V	78.3	Confident	75.2	Confident	72 Å²	72	55 Å²	55	44%	0.436	30%	0.301	S	S	.	.	S	Bend	trans	-101.4	127.8	-178.6	-173.1	0	0	0	0	110	D496 D500 E507	D496-V498 WeakPolarHBondContact OD1-CA 3.29Å; D496-V498 VanDerWaalsContact OD1-CB 3.24Å; D496-V498 WeakPolarHBondContact OD1-CB 3.24Å; D496-V498 PolarHBondContact OD1-N 3.26Å; V498-D500 PolarHBondContact O-N 2.88Å; V498-E507 WeakPolarHBondContact O-CG 3.26Å
499	P	80.6	Confident	75.1	Confident	60 Å²	60	61.1 Å²	61.1	39%	0.39	33%	0.331	S	S	.	.			trans	-78	83.1	171.9	-15.4	31.1	0	0	0	112.1	K504	P499-K504 HydrophobicContact CB-CD 3.93Å; P499-K504 HydrophobicContact CB-CG 3.88Å; P499-K504 HydrophobicContact CG-CD 3.84Å; P499-K504 HydrophobicContact CG-CG 4.37Å
500	D	79.5	Confident	74.8	Confident	66 Å²	66	61.8 Å²	61.8	35%	0.353	34%	0.337	S	S	.	.			trans	-75.9	-25.9	172.6	-63.8	-86.9	0	0	0	112	L489 K493 V498 D506	L489-D500 HydrophobicContact CD1-CB 3.88Å; L489-D500 HydrophobicContact CD2-CB 3.73Å; L489-D500 HydrophobicContact CG-CB 4.48Å; K493-D500 HydrophobicContact CD-CB 4.42Å; K493-D500 VanDerWaalsContact CD-CG 3.45Å; K493-D500 WeakPolarHBondContact CD-OD2 3.46Å; K493-D500 WeakPolarHBondContact CE-OD2 3.47Å; K493-D500 VanDerWaalsContact NZ-CG 3.3Å; K493-D500 IonicContact NZ-OD1 3.48Å; K493-D500 PolarHBondContact NZ-OD1 2.65Å; K493-D500 VanDerWaalsContact NZ-OD1 3.17Å; K493-D500 IonicContact NZ-OD2 2.71Å; K493-D500 PolarHBondContact NZ-OD2 3.08Å; V498-D500 PolarHBondContact O-N 2.88Å; D500-D506 WeakPolarHBondContact CA-OD2 3.33Å; D500-D506 PolarHBondContact N-OD2 3.43Å
501	C	78.7	Confident	74.5	Confident	3 Å²	3	62.9 Å²	62.9	2%	0.02	35%	0.354	C	S	.	.	S	Bend	trans	-78.3	129.3	166	-65.5	0	0	0	0	111.3	C478 R503 K504 E505 D506	C478-C501 WeakPolarHBondContact CA-SG 3.38Å; C478-C501 HydrophobicContact CB-CB 3.65Å; C478-C501 WeakPolarHBondContact CB-SG 2.96Å; C478-C501 WeakPolarHBondContact SG-CA 3.49Å; C478-C501 WeakPolarHBondContact SG-CB 3.23Å; C478-C501 CovalentContact SG-SG 2.03Å; C478-C501 PolarHBondContact SG-SG 2.73Å; C501-R503 PolarHBondContact O-N 3.28Å; C501-K504 PolarHBondContact O-N 3.5Å; C501-E505 HydrophobicContact CB-CB 4.34Å; C501-D506 HydrophobicContact CB-CB 4.37Å; C501-D506 WeakPolarHBondContact CB-OD1 3.07Å; C501-D506 PolarHBondContact N-OD2 3.15Å; C501-D506 VanDerWaalsContact SG-CG 3.54Å
502	D	77.9	Confident	74.7	Confident	63 Å²	63	67.2 Å²	67.2	34%	0.337	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-7.6	172.2	-162.6	37.8	0	0	0	115.4	L480 R481	L480-D502 HydrophobicContact CD2-CB 3.73Å; R481-D502 VanDerWaalsContact CD-OD2 3.23Å; R481-D502 WeakPolarHBondContact CD-OD2 3.49Å; R481-D502 WeakPolarHBondContact CG-OD2 3.22Å; R481-D502 IonicContact CZ-OD1 2.67Å; R481-D502 VanDerWaalsContact CZ-OD1 3.27Å; R481-D502 IonicContact CZ-OD2 3.27Å; R481-D502 PolarHBondContact N-OD2 3.09Å; R481-D502 VanDerWaalsContact NE-CG 3.28Å; R481-D502 IonicContact NE-OD1 3.93Å; R481-D502 PolarHBondContact NE-OD1 2.79Å; R481-D502 IonicContact NE-OD2 2.78Å; R481-D502 PolarHBondContact NE-OD2 2.81Å; R481-D502 IonicContact NH2-OD1 2.64Å; R481-D502 PolarHBondContact NH2-OD1 2.93Å
503	R	74.1	Confident	74.7	Confident	117 Å²	117	62.2 Å²	62.2	44%	0.442	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	4.1	179.1	-68.2	176.3	175.3	-172.5	5	115	I479 R481 C501 E505	I479-R503 WeakPolarHBondContact O-CD 3.46Å; I479-R503 PolarHBondContact O-NE 3.26Å; R481-R503 PolarHBondContact O-NH2 3.43Å; C501-R503 PolarHBondContact O-N 3.28Å; R503-E505 VanDerWaalsContact C-N 3.34Å; R503-E505 HydrophobicContact CB-CG 3.81Å; R503-E505 WeakPolarHBondContact CD-OE1 3.5Å; R503-E505 IonicContact CZ-OE1 3.9Å; R503-E505 IonicContact NE-OE1 3.94Å; R503-E505 IonicContact NH1-OE1 3.04Å; R503-E505 PolarHBondContact NH1-OE1 3.39Å
504	K	76	Confident	74.8	Confident	123 Å²	123	63.2 Å²	63.2	54%	0.535	35%	0.353	S	S	.	.	S	Bend	trans	60.5	34.6	-172.9	-41.1	-150.3	171.6	-166.3	0	114.7	P499 C501 D506 T508	P499-K504 HydrophobicContact CB-CD 3.93Å; P499-K504 HydrophobicContact CB-CG 3.88Å; P499-K504 HydrophobicContact CG-CD 3.84Å; P499-K504 HydrophobicContact CG-CG 4.37Å; C501-K504 PolarHBondContact O-N 3.5Å; K504-D506 WeakPolarHBondContact CA-OD1 3.29Å; K504-T508 WeakPolarHBondContact O-CG2 3.46Å
505	E	80.9	Confident	75	Confident	55 Å²	55	70.5 Å²	70.5	26%	0.257	38%	0.382	S	S	.	.	S	Bend	trans	-76	-28.3	-177.2	-70.9	162	157.1	0	0	112.3	I479 C501 R503 T508	I479-E505 PolarHBondContact N-OE2 3.17Å; C501-E505 HydrophobicContact CB-CB 4.34Å; R503-E505 VanDerWaalsContact C-N 3.34Å; R503-E505 HydrophobicContact CB-CG 3.81Å; R503-E505 WeakPolarHBondContact CD-OE1 3.5Å; R503-E505 IonicContact CZ-OE1 3.9Å; R503-E505 IonicContact NE-OE1 3.94Å; R503-E505 IonicContact NH1-OE1 3.04Å; R503-E505 PolarHBondContact NH1-OE1 3.39Å; E505-T508 PolarHBondContact O-OG1 3.17Å
506	D	77.4	Confident	75.5	Confident	1 Å²	1	73 Å²	73	1%	0.005	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-52.9	163.6	45.4	-2	0	0	0	113.6	V476 L489 D500 C501 K504 T508	V476-D506 HydrophobicContact CG1-CB 4.49Å; L489-D506 HydrophobicContact CD1-CB 3.76Å; D500-D506 WeakPolarHBondContact CA-OD2 3.33Å; D500-D506 PolarHBondContact N-OD2 3.43Å; C501-D506 HydrophobicContact CB-CB 4.37Å; C501-D506 WeakPolarHBondContact CB-OD1 3.07Å; C501-D506 PolarHBondContact N-OD2 3.15Å; C501-D506 VanDerWaalsContact SG-CG 3.54Å; K504-D506 WeakPolarHBondContact CA-OD1 3.29Å; D506-T508 PolarHBondContact O-N 2.86Å; D506-T508 VanDerWaalsContact O-N 3.1Å
507	E	76.8	Confident	76.1	Confident	44 Å²	44	72.2 Å²	72.2	21%	0.206	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	30.2	-175.7	-58.4	-53.2	100.6	0	0	112.2	C495 D496 G497 V498	C495-E507 WeakPolarHBondContact CA-OE1 3.39Å; C495-E507 WeakPolarHBondContact CA-OE2 3.23Å; C495-E507 PolarHBondContact N-OE1 2.6Å; D496-E507 PolarHBondContact N-OE1 3.31Å; D496-E507 PolarHBondContact N-OE2 2.99Å; G497-E507 VanDerWaalsContact CA-OE2 3.31Å; G497-E507 WeakPolarHBondContact CA-OE2 3.36Å; G497-E507 PolarHBondContact N-OE2 3.11Å; V498-E507 WeakPolarHBondContact O-CG 3.26Å
508	T	75.6	Confident	76.8	Confident	90 Å²	90	72.8 Å²	72.8	55%	0.552	38%	0.384	S	S	*	.	S	Bend	trans	-121.2	139.9	175	58	0	0	0	0	113	K504 E505 D506 C510	K504-T508 WeakPolarHBondContact O-CG2 3.46Å; E505-T508 PolarHBondContact O-OG1 3.17Å; D506-T508 PolarHBondContact O-N 2.86Å; D506-T508 VanDerWaalsContact O-N 3.1Å; T508-C510 PolarHBondContact O-N 2.65Å
509	N	69.9	Low	77.2	Confident	167 Å²	167	75.7 Å²	75.7	89%	0.893	39%	0.387	S	S	*	.	S	Bend	trans	57.9	28.3	-176.7	-160.9	93	0	0	0	113.5
510	C	65.2	Low	77.5	Confident	37 Å²	37	73 Å²	73	25%	0.25	37%	0.369	C	S	.	.			trans	-53	141.2	155.2	-58.1	0	0	0	0	109.8	C495 T508	C495-C510 VanDerWaalsContact CA-SG 3.51Å; C495-C510 HydrophobicContact CB-CB 3.8Å; C495-C510 WeakPolarHBondContact CB-SG 3.43Å; C495-C510 WeakPolarHBondContact SG-CA 3.44Å; C495-C510 WeakPolarHBondContact SG-CB 3.29Å; C495-C510 CovalentContact SG-SG 2.03Å; C495-C510 PolarHBondContact SG-SG 2.74Å; T508-C510 PolarHBondContact O-N 2.65Å
511	G	65.5	Low	77.8	Confident	55 Å²	55	76.4 Å²	76.4	57%	0.567	39%	0.387	S	S	*	.			trans	-81.3	-140.2	-177	0	0	0	0	0	112.4
512	D	71	Confident	77.9	Confident	153 Å²	153	80.2 Å²	80.2	82%	0.818	41%	0.408	S	S	*	.	S	Bend	trans	-60.7	137.9	154.9	-58.7	-55.3	0	0	0	108.3
513	C	75.4	Confident	78	Confident	29 Å²	29	78.3 Å²	78.3	20%	0.196	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-62.1	164.9	-175.5	-53.9	0	0	0	0	112.4	Q517 R519 C525	C513-Q517 HydrophobicContact CB-CB 3.74Å; C513-R519 VanDerWaalsContact SG-CB 3.57Å; C513-C525 VanDerWaalsContact CA-SG 3.57Å; C513-C525 HydrophobicContact CB-CB 3.76Å; C513-C525 WeakPolarHBondContact CB-SG 3.43Å; C513-C525 VanDerWaalsContact SG-CA 3.59Å; C513-C525 WeakPolarHBondContact SG-CB 3.13Å; C513-C525 CovalentContact SG-SG 2.04Å; C513-C525 PolarHBondContact SG-SG 2.86Å
514	K	76.1	Confident	78.4	Confident	74 Å²	74	75.7 Å²	75.7	32%	0.322	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-58	154.2	172.8	-58.2	168.6	176.8	157.4	0	109	E492 V494 C495 D516 Q517	E492-K514 PolarHBondContact O-NZ 2.92Å; V494-K514 PolarHBondContact O-NZ 3.41Å; C495-K514 VanDerWaalsContact C-NZ 3.32Å; C495-K514 WeakPolarHBondContact O-CE 3.41Å; C495-K514 PolarHBondContact O-NZ 3.05Å; K514-D516 VanDerWaalsContact CB-OD1 3.26Å; K514-D516 WeakPolarHBondContact CB-OD1 3.21Å; K514-D516 PolarHBondContact O-N 2.99Å; K514-D516 VanDerWaalsContact O-N 3.12Å; K514-Q517 HydrophobicContact CB-CB 4.47Å; K514-Q517 HydrophobicContact CB-CG 4.05Å; K514-Q517 WeakPolarHBondContact O-CB 3.48Å; K514-Q517 PolarHBondContact O-N 2.95Å
515	K	80.7	Confident	78.7	Confident	176 Å²	176	70.2 Å²	70.2	77%	0.765	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.6	-169.8	-69.8	-178.3	179.4	175.9	0	113.9	F553	K515-F553 HydrophobicContact CB-CE2 4.3Å; K515-F553 HydrophobicContact CB-CZ 4.4Å; K515-F553 VanDerWaalsContact O-CE2 3.23Å; K515-F553 WeakPolarHBondContact O-CE2 3.04Å
516	D	81.8	Confident	78.9	Confident	79 Å²	79	68.8 Å²	68.8	42%	0.422	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4.6	176.9	49.5	-59.1	0	0	0	112.9	K514 L528	K514-D516 VanDerWaalsContact CB-OD1 3.26Å; K514-D516 WeakPolarHBondContact CB-OD1 3.21Å; K514-D516 PolarHBondContact O-N 2.99Å; K514-D516 VanDerWaalsContact O-N 3.12Å; D516-L528 WeakPolarHBondContact O-CG 3.45Å; D516-L528 PolarHBondContact O-N 3.37Å
517	Q	85.5	Confident	79.4	Confident	23 Å²	23	71.4 Å²	71.4	11%	0.107	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	147.4	178.8	-70.7	173.8	-27.9	0	0	112.7	C495 C513 K514 L526	C495-Q517 PolarHBondContact O-NE2 3.01Å; C495-Q517 VanDerWaalsContact O-NE2 3.13Å; C513-Q517 HydrophobicContact CB-CB 3.74Å; K514-Q517 HydrophobicContact CB-CB 4.47Å; K514-Q517 HydrophobicContact CB-CG 4.05Å; K514-Q517 WeakPolarHBondContact O-CB 3.48Å; K514-Q517 PolarHBondContact O-N 2.95Å; Q517-L526 CarbonylContact C-O 3.47Å; Q517-L526 WeakPolarHBondContact CA-O 3.24Å; Q517-L526 WeakPolarHBondContact CB-O 3.28Å
518	F	85.9	Confident	80	Confident	42 Å²	42	69.6 Å²	69.6	18%	0.184	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	165.8	163.8	174.4	-106.9	0	0	0	110.9	C525 L526 L528 Y531 D543	F518-C525 WeakPolarHBondContact O-CA 3.5Å; F518-L526 PolarHBondContact N-O 2.88Å; F518-L526 PolarHBondContact O-N 2.98Å; F518-L528 HydrophobicContact CB-CD2 4.25Å; F518-Y531 HydrophobicContact CB-CD2 4.3Å; F518-Y531 HydrophobicContact CB-CG 4.09Å; F518-Y531 AromaticContact CD1-CD2 3.7Å; F518-Y531 HydrophobicContact CD1-CD2 3.7Å; F518-Y531 HydrophobicContact CD1-CE2 4.49Å; F518-Y531 HydrophobicContact CD1-CG 4.29Å; F518-Y531 HydrophobicContact CD2-CD1 4.4Å; F518-Y531 AromaticContact CD2-CD2 3.4Å; F518-Y531 HydrophobicContact CD2-CD2 3.4Å; F518-Y531 AromaticContact CD2-CE2 3.69Å; F518-Y531 HydrophobicContact CD2-CE2 3.69Å; F518-Y531 AromaticContact CD2-CG 3.81Å; F518-Y531 HydrophobicContact CD2-CG 3.81Å; F518-Y531 AromaticContact CE1-CD2 3.79Å; F518-Y531 HydrophobicContact CE1-CD2 3.79Å; F518-Y531 HydrophobicContact CE1-CE2 4.23Å; F518-Y531 AromaticContact CE2-CD2 3.5Å; F518-Y531 HydrophobicContact CE2-CD2 3.5Å; F518-Y531 AromaticContact CE2-CE2 3.37Å; F518-Y531 HydrophobicContact CE2-CE2 3.37Å; F518-Y531 HydrophobicContact CE2-CG 4.34Å; F518-Y531 AromaticContact CG-CD2 3.5Å; F518-Y531 HydrophobicContact CG-CD2 3.5Å; F518-Y531 VanDerWaalsContact CG-CD2 3.5Å; F518-Y531 HydrophobicContact CG-CE2 4.25Å; F518-Y531 AromaticContact CG-CG 3.78Å; F518-Y531 HydrophobicContact CG-CG 3.78Å; F518-Y531 AromaticContact CZ-CD2 3.7Å; F518-Y531 HydrophobicContact CZ-CD2 3.7Å; F518-Y531 AromaticContact CZ-CE2 3.66Å; F518-Y531 HydrophobicContact CZ-CE2 3.66Å; F518-D543 HydrophobicContact CE1-CB 4.15Å
519	R	86.7	Confident	80.7	Confident	133 Å²	133	68.2 Å²	68.2	50%	0.502	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.8	179.2	-166.7	177	173.7	-144.6	-13.2	112	C513 G523 T524	C513-R519 VanDerWaalsContact SG-CB 3.57Å; R519-G523 PolarHBondContact NE-O 2.87Å; R519-T524 CarbonylContact C-O 3.58Å; R519-T524 WeakPolarHBondContact CA-O 3.15Å
520	C	87.6	Confident	81.7	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.02	33%	0.334	C	S	.	.			trans	-61.2	155.2	170.2	-52.5	0	0	0	0	111	D522 G523 T524 L526 C538	C520-D522 VanDerWaalsContact C-N 3.25Å; C520-D522 WeakPolarHBondContact CB-OD1 3.42Å; C520-D522 PolarHBondContact O-N 3.08Å; C520-G523 WeakPolarHBondContact O-CA 3.39Å; C520-G523 PolarHBondContact O-N 3.18Å; C520-T524 PolarHBondContact N-O 2.91Å; C520-L526 VanDerWaalsContact SG-CD1 3.6Å; C520-C538 VanDerWaalsContact CA-SG 3.59Å; C520-C538 HydrophobicContact CB-CB 3.84Å; C520-C538 WeakPolarHBondContact CB-SG 3.42Å; C520-C538 VanDerWaalsContact SG-CA 3.56Å; C520-C538 WeakPolarHBondContact SG-CB 3.36Å; C520-C538 CovalentContact SG-SG 2.04Å; C520-C538 PolarHBondContact SG-SG 3.04Å
521	N	85.6	Confident	83	Confident	137 Å²	137	59.8 Å²	59.8	73%	0.733	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-23.6	-180	-77.8	-64.9	0	0	0	113	G523 D540 S542	N521-G523 PolarHBondContact O-N 2.68Å; N521-D540 WeakPolarHBondContact CA-OD2 3.38Å; N521-D540 WeakPolarHBondContact CB-OD2 3.24Å; N521-D540 PolarHBondContact N-OD2 2.86Å; N521-S542 WeakPolarHBondContact CB-OG 3.49Å; N521-S542 PolarHBondContact N-OG 3.33Å; N521-S542 WeakPolarHBondContact ND2-CB 3.32Å; N521-S542 PolarHBondContact ND2-OG 2.96Å
522	D	81	Confident	84.2	Confident	84 Å²	84	57.2 Å²	57.2	45%	0.449	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	169	79.5	-5.2	0	0	0	113.4	C520 T524 D540	C520-D522 VanDerWaalsContact C-N 3.25Å; C520-D522 WeakPolarHBondContact CB-OD1 3.42Å; C520-D522 PolarHBondContact O-N 3.08Å; D522-T524 VanDerWaalsContact OD1-CB 3.23Å; D522-T524 WeakPolarHBondContact OD1-CB 3.32Å; D522-T524 PolarHBondContact OD1-N 3.33Å; D522-T524 PolarHBondContact OD1-OG1 2.82Å; D522-T524 PolarHBondContact OD2-OG1 2.7Å; D522-D540 PolarHBondContact N-OD2 2.81Å
523	G	80	Confident	85	Confident	23 Å²	23	52.7 Å²	52.7	24%	0.237	28%	0.275	C	S	.	.	S	Bend	trans	112.7	-8.8	177	0	0	0	0	0	115.3	R519 C520 N521	R519-G523 PolarHBondContact NE-O 2.87Å; C520-G523 WeakPolarHBondContact O-CA 3.39Å; C520-G523 PolarHBondContact O-N 3.18Å; N521-G523 PolarHBondContact O-N 2.68Å
524	T	80.9	Confident	85.4	Confident	61 Å²	61	53.7 Å²	53.7	37%	0.374	29%	0.29	S	S	.	.			trans	-58.8	135.2	178.1	-54.4	0	0	0	0	111.6	R519 C520 D522 L526	R519-T524 CarbonylContact C-O 3.58Å; R519-T524 WeakPolarHBondContact CA-O 3.15Å; C520-T524 PolarHBondContact N-O 2.91Å; D522-T524 VanDerWaalsContact OD1-CB 3.23Å; D522-T524 WeakPolarHBondContact OD1-CB 3.32Å; D522-T524 PolarHBondContact OD1-N 3.33Å; D522-T524 PolarHBondContact OD1-OG1 2.82Å; D522-T524 PolarHBondContact OD2-OG1 2.7Å; T524-L526 HydrophobicContact CG2-CD2 3.94Å; T524-L526 HydrophobicContact CG2-CG 4.24Å
525	C	83.3	Confident	86	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.061	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.8	171.1	-63.1	0	0	0	0	110	C513 F518	C513-C525 VanDerWaalsContact CA-SG 3.57Å; C513-C525 HydrophobicContact CB-CB 3.76Å; C513-C525 WeakPolarHBondContact CB-SG 3.43Å; C513-C525 VanDerWaalsContact SG-CA 3.59Å; C513-C525 WeakPolarHBondContact SG-CB 3.13Å; C513-C525 CovalentContact SG-SG 2.04Å; C513-C525 PolarHBondContact SG-SG 2.86Å; F518-C525 WeakPolarHBondContact O-CA 3.5Å
526	L	84.1	Confident	86.5	Confident	25 Å²	25	51.2 Å²	51.2	13%	0.131	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.1	177.3	-62	179.7	0	0	0	109.5	Q517 F518 C520 T524 A530 D537	Q517-L526 CarbonylContact C-O 3.47Å; Q517-L526 WeakPolarHBondContact CA-O 3.24Å; Q517-L526 WeakPolarHBondContact CB-O 3.28Å; F518-L526 PolarHBondContact N-O 2.88Å; F518-L526 PolarHBondContact O-N 2.98Å; C520-L526 VanDerWaalsContact SG-CD1 3.6Å; T524-L526 HydrophobicContact CG2-CD2 3.94Å; T524-L526 HydrophobicContact CG2-CG 4.24Å; L526-A530 HydrophobicContact CB-CB 4.02Å; L526-A530 HydrophobicContact CD1-CB 4.32Å; L526-D537 HydrophobicContact CD1-CB 3.79Å
527	P	88.1	Confident	86.9	Confident	56 Å²	56	50.9 Å²	50.9	36%	0.364	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	154.4	173.5	28.3	-36.2	0	0	0	111.4	S529 A530	P527-S529 PolarHBondContact O-N 3.07Å; P527-S529 VanDerWaalsContact O-N 3.12Å; P527-A530 HydrophobicContact CG-CB 4.22Å; P527-A530 WeakPolarHBondContact O-CA 3.44Å; P527-A530 WeakPolarHBondContact O-CB 3.27Å; P527-A530 PolarHBondContact O-N 2.68Å
528	L	90.1	Very high	86.9	Confident	6 Å²	6	50 Å²	50	3%	0.031	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-62.3	-18.4	178.3	-78.2	166.3	0	0	0	113.9	D516 F518 A530 Y531 N550 F553 Q554 M564	D516-L528 WeakPolarHBondContact O-CG 3.45Å; D516-L528 PolarHBondContact O-N 3.37Å; F518-L528 HydrophobicContact CB-CD2 4.25Å; L528-A530 PolarHBondContact O-N 3.21Å; L528-Y531 PolarHBondContact O-N 3.03Å; L528-N550 HydrophobicContact CD1-CB 4.03Å; L528-N550 WeakPolarHBondContact CD1-ND2 3.3Å; L528-N550 HydrophobicContact CD2-CB 4.12Å; L528-F553 HydrophobicContact CD1-CB 3.98Å; L528-F553 HydrophobicContact CD1-CD2 3.57Å; L528-F553 HydrophobicContact CD1-CE2 4.42Å; L528-F553 HydrophobicContact CD1-CG 4.07Å; L528-Q554 HydrophobicContact CB-CG 4.48Å; L528-Q554 PolarHBondContact O-NE2 3.41Å; L528-M564 HydrophobicContact CB-CE 4.06Å; L528-M564 HydrophobicContact CB-SD 4.02Å
529	S	90.1	Very high	86.9	Confident	60 Å²	60	54.1 Å²	54.1	42%	0.42	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-69.7	-9.8	169.3	51.6	0	0	0	0	114	P527 N533	P527-S529 PolarHBondContact O-N 3.07Å; P527-S529 VanDerWaalsContact O-N 3.12Å; S529-N533 WeakPolarHBondContact O-CB 3.39Å; S529-N533 PolarHBondContact O-ND2 3.33Å
530	A	91.2	Very high	86.9	Confident	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-107.7	34.4	171.3	0	0	0	0	0	111.4	L526 P527 L528 D537	L526-A530 HydrophobicContact CB-CB 4.02Å; L526-A530 HydrophobicContact CD1-CB 4.32Å; P527-A530 HydrophobicContact CG-CB 4.22Å; P527-A530 WeakPolarHBondContact O-CA 3.44Å; P527-A530 WeakPolarHBondContact O-CB 3.27Å; P527-A530 PolarHBondContact O-N 2.68Å; L528-A530 PolarHBondContact O-N 3.21Å; A530-D537 HydrophobicContact CB-CB 4.05Å; A530-D537 WeakPolarHBondContact CB-OD2 3.49Å
531	Y	91.6	Very high	86.9	Confident	20 Å²	20	54.4 Å²	54.4	8%	0.078	32%	0.321	C	S	.	.	S	Bend	trans	-135.7	110.1	174.7	178	-114.6	0	0	0	110.5	F518 L528 D543 N546 C547 T548 Q554	F518-Y531 HydrophobicContact CB-CD2 4.3Å; F518-Y531 HydrophobicContact CB-CG 4.09Å; F518-Y531 AromaticContact CD1-CD2 3.7Å; F518-Y531 HydrophobicContact CD1-CD2 3.7Å; F518-Y531 HydrophobicContact CD1-CE2 4.49Å; F518-Y531 HydrophobicContact CD1-CG 4.29Å; F518-Y531 HydrophobicContact CD2-CD1 4.4Å; F518-Y531 AromaticContact CD2-CD2 3.4Å; F518-Y531 HydrophobicContact CD2-CD2 3.4Å; F518-Y531 AromaticContact CD2-CE2 3.69Å; F518-Y531 HydrophobicContact CD2-CE2 3.69Å; F518-Y531 AromaticContact CD2-CG 3.81Å; F518-Y531 HydrophobicContact CD2-CG 3.81Å; F518-Y531 AromaticContact CE1-CD2 3.79Å; F518-Y531 HydrophobicContact CE1-CD2 3.79Å; F518-Y531 HydrophobicContact CE1-CE2 4.23Å; F518-Y531 AromaticContact CE2-CD2 3.5Å; F518-Y531 HydrophobicContact CE2-CD2 3.5Å; F518-Y531 AromaticContact CE2-CE2 3.37Å; F518-Y531 HydrophobicContact CE2-CE2 3.37Å; F518-Y531 HydrophobicContact CE2-CG 4.34Å; F518-Y531 AromaticContact CG-CD2 3.5Å; F518-Y531 HydrophobicContact CG-CD2 3.5Å; F518-Y531 VanDerWaalsContact CG-CD2 3.5Å; F518-Y531 HydrophobicContact CG-CE2 4.25Å; F518-Y531 AromaticContact CG-CG 3.78Å; F518-Y531 HydrophobicContact CG-CG 3.78Å; F518-Y531 AromaticContact CZ-CD2 3.7Å; F518-Y531 HydrophobicContact CZ-CD2 3.7Å; F518-Y531 AromaticContact CZ-CE2 3.66Å; F518-Y531 HydrophobicContact CZ-CE2 3.66Å; L528-Y531 PolarHBondContact O-N 3.03Å; Y531-D543 WeakPolarHBondContact CD2-O 3.49Å; Y531-D543 WeakPolarHBondContact CE2-O 3.46Å; Y531-N546 PolarHBondContact OH-O 3.44Å; Y531-C547 WeakPolarHBondContact OH-CA 3.37Å; Y531-T548 PolarHBondContact OH-N 2.81Å; Y531-T548 VanDerWaalsContact OH-N 3.08Å; Y531-Q554 PolarHBondContact O-NE2 3.3Å
532	C	91.3	Very high	87.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	61.7	49.2	-177.5	-65.5	0	0	0	0	113.1	D543 E544 C547 W561 C562	C532-D543 PolarHBondContact SG-O 3.32Å; C532-E544 WeakPolarHBondContact CA-OE1 3.31Å; C532-E544 PolarHBondContact N-OE1 2.97Å; C532-C547 HydrophobicContact CB-CB 3.78Å; C532-C547 WeakPolarHBondContact CB-SG 3.35Å; C532-C547 WeakPolarHBondContact SG-CA 2.96Å; C532-C547 WeakPolarHBondContact SG-CB 3.03Å; C532-C547 CovalentContact SG-SG 2.03Å; C532-C547 PolarHBondContact SG-SG 2.86Å; C532-W561 HydrophobicContact CB-CE3 3.99Å; C532-W561 HydrophobicContact CB-CZ3 4.42Å; C532-C562 HydrophobicContact CB-CB 4.04Å; C532-C562 PolarHBondContact O-N 3.23Å
533	N	87.2	Confident	87.6	Confident	59 Å²	59	44.3 Å²	44.3	32%	0.316	27%	0.267	S	S	.	.	S	Bend	trans	-105.5	0.1	179.4	67.5	-0.5	0	0	0	113.4	S529 V535 D537 E544	S529-N533 WeakPolarHBondContact O-CB 3.39Å; S529-N533 PolarHBondContact O-ND2 3.33Å; N533-V535 WeakPolarHBondContact OD1-CA 3Å; N533-V535 VanDerWaalsContact OD1-CB 3.31Å; N533-V535 WeakPolarHBondContact OD1-CB 3.28Å; N533-V535 PolarHBondContact OD1-N 3.07Å; N533-V535 PolarHBondContact OD1-O 3.15Å; N533-D537 PolarHBondContact ND2-OD2 2.9Å; N533-E544 PolarHBondContact N-OE1 3.23Å; N533-E544 PolarHBondContact N-OE2 2.96Å
534	G	85.4	Confident	88.1	Confident	50 Å²	50	44.3 Å²	44.3	52%	0.515	26%	0.261	S	S	.	.	S	Bend	trans	86.5	4.4	-174.6	0	0	0	0	0	115	E544	G534-E544 VanDerWaalsContact CA-OE2 3.24Å; G534-E544 WeakPolarHBondContact CA-OE2 3.44Å; G534-E544 PolarHBondContact N-OE2 3.32Å
535	V	88.6	Confident	88.5	Confident	73 Å²	73	45 Å²	45	44%	0.442	27%	0.266	S	S	.	.	S	Bend	trans	-120.3	144.5	-175.1	-173.2	0	0	0	0	110.1	N533 D537 E544	N533-V535 WeakPolarHBondContact OD1-CA 3Å; N533-V535 VanDerWaalsContact OD1-CB 3.31Å; N533-V535 WeakPolarHBondContact OD1-CB 3.28Å; N533-V535 PolarHBondContact OD1-N 3.07Å; N533-V535 PolarHBondContact OD1-O 3.15Å; V535-D537 PolarHBondContact O-N 2.72Å; V535-E544 WeakPolarHBondContact O-CG 3.25Å
536	H	90	Very high	88.6	Confident	124 Å²	124	51.4 Å²	51.4	57%	0.574	30%	0.299	S	S	*	.			trans	-93.3	81.9	178	-63.1	-29.5	0	0	0	110.6	L541 E544	H536-L541 HydrophobicContact CB-CD2 3.71Å; H536-E544 WeakPolarHBondContact ND1-CG 3.2Å
537	D	89.6	Confident	88.7	Confident	72 Å²	72	52.3 Å²	52.3	39%	0.385	31%	0.307	S	S	.	.			trans	-84.7	-30.8	178.4	-66.7	-45.9	0	0	0	111.7	L526 A530 N533 V535 D543	L526-D537 HydrophobicContact CD1-CB 3.79Å; A530-D537 HydrophobicContact CB-CB 4.05Å; A530-D537 WeakPolarHBondContact CB-OD2 3.49Å; N533-D537 PolarHBondContact ND2-OD2 2.9Å; V535-D537 PolarHBondContact O-N 2.72Å; D537-D543 WeakPolarHBondContact CA-OD2 3.26Å; D537-D543 PolarHBondContact N-OD2 3.14Å
538	C	87.2	Confident	88.7	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.027	32%	0.319	C	S	.	.	S	Bend	trans	-79	133	169.9	-72.5	0	0	0	0	112.2	C520 D540 L541 D543	C520-C538 VanDerWaalsContact CA-SG 3.59Å; C520-C538 HydrophobicContact CB-CB 3.84Å; C520-C538 WeakPolarHBondContact CB-SG 3.42Å; C520-C538 VanDerWaalsContact SG-CA 3.56Å; C520-C538 WeakPolarHBondContact SG-CB 3.36Å; C520-C538 CovalentContact SG-SG 2.04Å; C520-C538 PolarHBondContact SG-SG 3.04Å; C538-D540 WeakPolarHBondContact CB-OD1 3.29Å; C538-D540 PolarHBondContact O-N 3.48Å; C538-D540 VanDerWaalsContact O-N 3.08Å; C538-L541 PolarHBondContact O-N 2.73Å; C538-D543 HydrophobicContact CB-CB 4.15Å; C538-D543 PolarHBondContact N-OD2 2.57Å
539	V	85.2	Confident	88.7	Confident	130 Å²	130	55.2 Å²	55.2	79%	0.788	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.4	178	-179.1	0	0	0	0	113.3
540	D	86.7	Confident	88.7	Confident	60 Å²	60	54.7 Å²	54.7	32%	0.321	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	6.7	-179.1	60.9	16.3	0	0	0	114.2	N521 D522 C538 S542	N521-D540 WeakPolarHBondContact CA-OD2 3.38Å; N521-D540 WeakPolarHBondContact CB-OD2 3.24Å; N521-D540 PolarHBondContact N-OD2 2.86Å; D522-D540 PolarHBondContact N-OD2 2.81Å; C538-D540 WeakPolarHBondContact CB-OD1 3.29Å; C538-D540 PolarHBondContact O-N 3.48Å; C538-D540 VanDerWaalsContact O-N 3.08Å; D540-S542 PolarHBondContact O-N 2.77Å; D540-S542 WeakPolarHBondContact OD1-CB 3.35Å; D540-S542 PolarHBondContact OD1-N 3.38Å; D540-S542 PolarHBondContact OD1-OG 3.49Å; D540-S542 PolarHBondContact OD2-OG 2.88Å
541	L	87.3	Confident	88.6	Confident	82 Å²	82	59.6 Å²	59.6	43%	0.429	35%	0.348	S	S	.	.	S	Bend	trans	62.2	23.2	-178.6	-39.4	178.6	0	0	0	114.4	H536 C538 D543 T545	H536-L541 HydrophobicContact CB-CD2 3.71Å; C538-L541 PolarHBondContact O-N 2.73Å; L541-D543 VanDerWaalsContact C-N 3.34Å; L541-D543 VanDerWaalsContact CA-OD1 3.32Å; L541-D543 WeakPolarHBondContact CA-OD1 3.03Å; L541-T545 VanDerWaalsContact O-CG2 3.28Å; L541-T545 WeakPolarHBondContact O-CG2 3.47Å
542	S	90.8	Very high	88.4	Confident	8 Å²	8	61.3 Å²	61.3	6%	0.056	37%	0.367	C	S	.	.			trans	-71.9	-27.8	-177.1	-59.4	0	0	0	0	114.5	N521 D540 T545	N521-S542 WeakPolarHBondContact CB-OG 3.49Å; N521-S542 PolarHBondContact N-OG 3.33Å; N521-S542 WeakPolarHBondContact ND2-CB 3.32Å; N521-S542 PolarHBondContact ND2-OG 2.96Å; D540-S542 PolarHBondContact O-N 2.77Å; D540-S542 WeakPolarHBondContact OD1-CB 3.35Å; D540-S542 PolarHBondContact OD1-N 3.38Å; D540-S542 PolarHBondContact OD1-OG 3.49Å; D540-S542 PolarHBondContact OD2-OG 2.88Å; S542-T545 PolarHBondContact O-OG1 2.03Å
543	D	90.1	Very high	88.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-57.2	171.1	46	-3.9	0	0	0	111.4	F518 Y531 C532 D537 C538 L541 T545	F518-D543 HydrophobicContact CE1-CB 4.15Å; Y531-D543 WeakPolarHBondContact CD2-O 3.49Å; Y531-D543 WeakPolarHBondContact CE2-O 3.46Å; C532-D543 PolarHBondContact SG-O 3.32Å; D537-D543 WeakPolarHBondContact CA-OD2 3.26Å; D537-D543 PolarHBondContact N-OD2 3.14Å; C538-D543 HydrophobicContact CB-CB 4.15Å; C538-D543 PolarHBondContact N-OD2 2.57Å; L541-D543 VanDerWaalsContact C-N 3.34Å; L541-D543 VanDerWaalsContact CA-OD1 3.32Å; L541-D543 WeakPolarHBondContact CA-OD1 3.03Å; D543-T545 PolarHBondContact O-N 2.9Å
544	E	91.4	Very high	88.5	Confident	24 Å²	24	62 Å²	62	11%	0.112	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	27.6	-172.4	-54.2	-51.6	92.9	0	0	112.5	C532 N533 G534 V535 H536 W561	C532-E544 WeakPolarHBondContact CA-OE1 3.31Å; C532-E544 PolarHBondContact N-OE1 2.97Å; N533-E544 PolarHBondContact N-OE1 3.23Å; N533-E544 PolarHBondContact N-OE2 2.96Å; G534-E544 VanDerWaalsContact CA-OE2 3.24Å; G534-E544 WeakPolarHBondContact CA-OE2 3.44Å; G534-E544 PolarHBondContact N-OE2 3.32Å; V535-E544 WeakPolarHBondContact O-CG 3.25Å; H536-E544 WeakPolarHBondContact ND1-CG 3.2Å; E544-W561 WeakPolarHBondContact OE2-CZ3 3.01Å
545	T	88.5	Confident	88.8	Confident	75 Å²	75	63.5 Å²	63.5	46%	0.46	36%	0.36	S	S	.	.	S	Bend	trans	-130.2	137.8	178.7	63.3	0	0	0	0	112.9	L541 S542 D543 C547	L541-T545 VanDerWaalsContact O-CG2 3.28Å; L541-T545 WeakPolarHBondContact O-CG2 3.47Å; S542-T545 PolarHBondContact O-OG1 2.03Å; D543-T545 PolarHBondContact O-N 2.9Å; T545-C547 VanDerWaalsContact C-N 3.32Å; T545-C547 PolarHBondContact O-N 3.37Å
546	N	85.5	Confident	88.9	Confident	144 Å²	144	65 Å²	65	77%	0.77	37%	0.365	S	S	*	.	S	Bend	trans	53.6	47.5	179.6	-165.6	92.8	0	0	0	112.4	Y531 T548	Y531-N546 PolarHBondContact OH-O 3.44Å; N546-T548 PolarHBondContact O-N 3.19Å; N546-T548 PolarHBondContact O-OG1 2.8Å
547	C	86.3	Confident	88.8	Confident	43 Å²	43	59.2 Å²	59.2	29%	0.291	34%	0.339	S	S	.	.			trans	-49.5	126.5	-178.2	-66.1	0	0	0	0	113.2	Y531 C532 T545	Y531-C547 WeakPolarHBondContact OH-CA 3.37Å; C532-C547 HydrophobicContact CB-CB 3.78Å; C532-C547 WeakPolarHBondContact CB-SG 3.35Å; C532-C547 WeakPolarHBondContact SG-CA 2.96Å; C532-C547 WeakPolarHBondContact SG-CB 3.03Å; C532-C547 CovalentContact SG-SG 2.03Å; C532-C547 PolarHBondContact SG-SG 2.86Å; T545-C547 VanDerWaalsContact C-N 3.32Å; T545-C547 PolarHBondContact O-N 3.37Å
548	T	89.4	Confident	88.6	Confident	100 Å²	100	64.2 Å²	64.2	61%	0.613	36%	0.36	S	S	*	.			trans	-148.8	86.3	175.3	-60.7	0	0	0	0	108.4	Y531 N546	Y531-T548 PolarHBondContact OH-N 2.81Å; Y531-T548 VanDerWaalsContact OH-N 3.08Å; N546-T548 PolarHBondContact O-N 3.19Å; N546-T548 PolarHBondContact O-OG1 2.8Å
549	C	89.7	Confident	88.3	Confident	24 Å²	24	68 Å²	68	16%	0.162	38%	0.38	C	S	.	.			trans	-53.9	137.4	-173.6	-43.3	0	0	0	0	112.1	P551 Q554 N556 C562	C549-P551 WeakPolarHBondContact O-CD 3.05Å; C549-Q554 HydrophobicContact CB-CB 4.01Å; C549-N556 HydrophobicContact CB-CB 4.49Å; C549-C562 WeakPolarHBondContact CA-SG 3.45Å; C549-C562 HydrophobicContact CB-CB 3.71Å; C549-C562 WeakPolarHBondContact CB-SG 3.31Å; C549-C562 PolarHBondContact N-SG 3.36Å; C549-C562 WeakPolarHBondContact SG-CA 3.49Å; C549-C562 WeakPolarHBondContact SG-CB 3.21Å; C549-C562 CovalentContact SG-SG 2.03Å; C549-C562 PolarHBondContact SG-SG 3.22Å
550	N	88.8	Confident	88.2	Confident	49 Å²	49	63.4 Å²	63.4	26%	0.262	36%	0.359	S	S	.	.			trans	-75.6	108.5	-177.9	-178.3	-13.9	0	0	0	110.5	L528 A552 F553 Q554	L528-N550 HydrophobicContact CD1-CB 4.03Å; L528-N550 WeakPolarHBondContact CD1-ND2 3.3Å; L528-N550 HydrophobicContact CD2-CB 4.12Å; N550-A552 PolarHBondContact O-N 3.32Å; N550-A552 WeakPolarHBondContact OD1-CB 3.44Å; N550-A552 PolarHBondContact OD1-N 2.83Å; N550-A552 VanDerWaalsContact OD1-N 3.16Å; N550-F553 PolarHBondContact O-N 2.91Å; N550-Q554 PolarHBondContact O-N 3.25Å
551	P	89.5	Confident	88.3	Confident	110 Å²	110	65.1 Å²	65.1	71%	0.714	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-1.1	-171.5	31.8	-37.8	0	0	0	113.9	C549 K565	C549-P551 WeakPolarHBondContact O-CD 3.05Å; P551-K565 WeakPolarHBondContact O-CE 3.5Å; P551-K565 PolarHBondContact O-NZ 2.94Å
552	A	87.5	Confident	88.5	Confident	57 Å²	57	61.7 Å²	61.7	47%	0.471	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-45	167.1	0	0	0	0	0	112	N550 K565	N550-A552 PolarHBondContact O-N 3.32Å; N550-A552 WeakPolarHBondContact OD1-CB 3.44Å; N550-A552 PolarHBondContact OD1-N 2.83Å; N550-A552 VanDerWaalsContact OD1-N 3.16Å; A552-K565 WeakPolarHBondContact O-CE 3.47Å; A552-K565 PolarHBondContact O-NZ 2.98Å
553	F	88.9	Confident	88.5	Confident	69 Å²	69	62.1 Å²	62.1	30%	0.303	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-21.1	-167.7	-56.7	-76.5	0	0	0	114.6	K515 L528 N550 K565	K515-F553 HydrophobicContact CB-CE2 4.3Å; K515-F553 HydrophobicContact CB-CZ 4.4Å; K515-F553 VanDerWaalsContact O-CE2 3.23Å; K515-F553 WeakPolarHBondContact O-CE2 3.04Å; L528-F553 HydrophobicContact CD1-CB 3.98Å; L528-F553 HydrophobicContact CD1-CD2 3.57Å; L528-F553 HydrophobicContact CD1-CE2 4.42Å; L528-F553 HydrophobicContact CD1-CG 4.07Å; N550-F553 PolarHBondContact O-N 2.91Å; F553-K565 WeakPolarHBondContact O-CG 3.25Å; F553-K565 PolarHBondContact O-N 2.88Å
554	Q	92	Very high	88.6	Confident	3 Å²	3	63.9 Å²	63.9	1%	0.014	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	158.2	-177.6	-66.2	173.1	-57.3	0	0	111.9	L528 Y531 C549 N550 C562 Y563 M564 K565	L528-Q554 HydrophobicContact CB-CG 4.48Å; L528-Q554 PolarHBondContact O-NE2 3.41Å; Y531-Q554 PolarHBondContact O-NE2 3.3Å; C549-Q554 HydrophobicContact CB-CB 4.01Å; N550-Q554 PolarHBondContact O-N 3.25Å; Q554-C562 VanDerWaalsContact NE2-CB 3.29Å; Q554-Y563 CarbonylContact C-O 3.57Å; Q554-Y563 WeakPolarHBondContact CA-O 3.32Å; Q554-Y563 WeakPolarHBondContact CB-O 3.4Å; Q554-M564 HydrophobicContact CG-SD 3.75Å; Q554-K565 WeakPolarHBondContact O-CE 3.21Å
555	F	91.8	Very high	88.6	Confident	82 Å²	82	65.7 Å²	65.7	36%	0.36	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	173.4	157	-70.3	-51.3	0	0	0	109.6	C562 Y563 K565 R568	F555-C562 WeakPolarHBondContact O-CA 3.43Å; F555-Y563 HydrophobicContact CB-CD1 4.16Å; F555-Y563 HydrophobicContact CB-CD2 4.42Å; F555-Y563 HydrophobicContact CB-CE1 3.56Å; F555-Y563 HydrophobicContact CB-CE2 3.86Å; F555-Y563 AromaticContact CD2-CE2 3.89Å; F555-Y563 HydrophobicContact CD2-CE2 3.89Å; F555-Y563 HydrophobicContact CG-CE2 4.39Å; F555-Y563 PolarHBondContact N-O 3.3Å; F555-Y563 PolarHBondContact O-N 3.46Å; F555-Y563 VanDerWaalsContact O-N 3.13Å; F555-K565 HydrophobicContact CD1-CG 4.25Å; F555-K565 HydrophobicContact CD2-CB 4.19Å; F555-K565 HydrophobicContact CD2-CG 3.72Å; F555-K565 HydrophobicContact CE1-CD 4.39Å; F555-K565 HydrophobicContact CE1-CG 4.17Å; F555-K565 HydrophobicContact CE2-CB 3.94Å; F555-K565 HydrophobicContact CE2-CD 4.42Å; F555-K565 HydrophobicContact CE2-CG 3.63Å; F555-K565 HydrophobicContact CG-CG 4.03Å; F555-K565 HydrophobicContact CZ-CB 4.49Å; F555-K565 HydrophobicContact CZ-CD 4.2Å; F555-K565 HydrophobicContact CZ-CG 3.87Å; F555-R568 HydrophobicContact CD2-CB 4.11Å; F555-R568 HydrophobicContact CE2-CB 4.05Å; F555-R568 HydrophobicContact CE2-CG 4.5Å
556	N	90.5	Very high	88.5	Confident	105 Å²	105	67.9 Å²	67.9	56%	0.561	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.5	177.3	67.2	-86.3	0	0	0	111.1	C549 W561	C549-N556 HydrophobicContact CB-CB 4.49Å; N556-W561 CarbonylContact C-O 3.36Å; N556-W561 VanDerWaalsContact CA-O 3.31Å; N556-W561 WeakPolarHBondContact CA-O 3.27Å
557	C	89.1	Confident	88.8	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.02	34%	0.34	C	S	.	.			trans	-72	171.3	166.1	-54.7	0	0	0	0	110.8	D559 G560 W561 C575	C557-D559 VanDerWaalsContact C-N 3.34Å; C557-D559 WeakPolarHBondContact CB-OD1 3.12Å; C557-G560 PolarHBondContact O-N 3.48Å; C557-W561 HydrophobicContact CB-CB 4.4Å; C557-W561 PolarHBondContact N-O 3.15Å; C557-C575 VanDerWaalsContact CA-SG 3.51Å; C557-C575 HydrophobicContact CB-CB 3.7Å; C557-C575 WeakPolarHBondContact CB-SG 3.3Å; C557-C575 WeakPolarHBondContact SG-CA 3.34Å; C557-C575 WeakPolarHBondContact SG-CB 3.44Å; C557-C575 CovalentContact SG-SG 2.03Å; C557-C575 PolarHBondContact SG-SG 2.84Å
558	E	83.8	Confident	89	Confident	176 Å²	176	64.1 Å²	64.1	82%	0.822	34%	0.337	S	S	*	.	S	Bend	trans	-73.1	-28.5	174.3	-76.4	-164.1	165.5	0	0	111.9	D577	E558-D577 WeakPolarHBondContact CB-OD2 3.41Å; E558-D577 PolarHBondContact N-OD2 3.05Å
559	D	81.1	Confident	89	Confident	83 Å²	83	59.4 Å²	59.4	44%	0.444	31%	0.308	S	S	.	.	S	Bend	trans	-76.5	-16.4	174.1	68.3	4.1	0	0	0	115	C557 W561 D577	C557-D559 VanDerWaalsContact C-N 3.34Å; C557-D559 WeakPolarHBondContact CB-OD1 3.12Å; D559-W561 VanDerWaalsContact CG-CD1 3.42Å; D559-W561 PolarHBondContact OD1-N 3.07Å; D559-D577 PolarHBondContact N-OD2 3.42Å
560	G	83.4	Confident	88.9	Confident	35 Å²	35	60.1 Å²	60.1	36%	0.361	31%	0.31	S	S	.	.	S	Bend	trans	108.6	1.6	173.1	0	0	0	0	0	116.4	C557	C557-G560 PolarHBondContact O-N 3.48Å
561	W	88.7	Confident	88.7	Confident	96 Å²	96	59.8 Å²	59.8	36%	0.364	32%	0.318	S	S	.	.			trans	-69.3	167.8	169.1	-62.5	120	0	0	0	112.6	C532 E544 N556 C557 D559	C532-W561 HydrophobicContact CB-CE3 3.99Å; C532-W561 HydrophobicContact CB-CZ3 4.42Å; E544-W561 WeakPolarHBondContact OE2-CZ3 3.01Å; N556-W561 CarbonylContact C-O 3.36Å; N556-W561 VanDerWaalsContact CA-O 3.31Å; N556-W561 WeakPolarHBondContact CA-O 3.27Å; C557-W561 HydrophobicContact CB-CB 4.4Å; C557-W561 PolarHBondContact N-O 3.15Å; D559-W561 VanDerWaalsContact CG-CD1 3.42Å; D559-W561 PolarHBondContact OD1-N 3.07Å
562	C	92.2	Very high	88.6	Confident	10 Å²	10	59.8 Å²	59.8	7%	0.068	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.9	-173.3	-54.9	0	0	0	0	111.8	C532 C549 Q554 F555	C532-C562 HydrophobicContact CB-CB 4.04Å; C532-C562 PolarHBondContact O-N 3.23Å; C549-C562 WeakPolarHBondContact CA-SG 3.45Å; C549-C562 HydrophobicContact CB-CB 3.71Å; C549-C562 WeakPolarHBondContact CB-SG 3.31Å; C549-C562 PolarHBondContact N-SG 3.36Å; C549-C562 WeakPolarHBondContact SG-CA 3.49Å; C549-C562 WeakPolarHBondContact SG-CB 3.21Å; C549-C562 CovalentContact SG-SG 2.03Å; C549-C562 PolarHBondContact SG-SG 3.22Å; Q554-C562 VanDerWaalsContact NE2-CB 3.29Å; F555-C562 WeakPolarHBondContact O-CA 3.43Å
563	Y	91.4	Very high	88.6	Confident	16 Å²	16	59.7 Å²	59.7	6%	0.063	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	152.4	175.8	67.8	-82.6	0	0	0	110.4	Q554 F555 Q567 R568 Q574 C575 D580	Q554-Y563 CarbonylContact C-O 3.57Å; Q554-Y563 WeakPolarHBondContact CA-O 3.32Å; Q554-Y563 WeakPolarHBondContact CB-O 3.4Å; F555-Y563 HydrophobicContact CB-CD1 4.16Å; F555-Y563 HydrophobicContact CB-CD2 4.42Å; F555-Y563 HydrophobicContact CB-CE1 3.56Å; F555-Y563 HydrophobicContact CB-CE2 3.86Å; F555-Y563 AromaticContact CD2-CE2 3.89Å; F555-Y563 HydrophobicContact CD2-CE2 3.89Å; F555-Y563 HydrophobicContact CG-CE2 4.39Å; F555-Y563 PolarHBondContact N-O 3.3Å; F555-Y563 PolarHBondContact O-N 3.46Å; F555-Y563 VanDerWaalsContact O-N 3.13Å; Y563-Q567 HydrophobicContact CD2-CB 4.35Å; Y563-R568 HydrophobicContact CE2-CB 3.94Å; Y563-Q574 HydrophobicContact CG-CB 4.42Å; Y563-C575 VanDerWaalsContact CD1-SG 3.54Å; Y563-D580 HydrophobicContact CD1-CB 4.32Å; Y563-D580 HydrophobicContact CD2-CB 3.98Å; Y563-D580 HydrophobicContact CE1-CB 3.9Å; Y563-D580 HydrophobicContact CE2-CB 3.52Å; Y563-D580 HydrophobicContact CG-CB 4.36Å; Y563-D580 VanDerWaalsContact CZ-CB 3.47Å
564	M	91.7	Very high	88.5	Confident	37 Å²	37	60 Å²	60	18%	0.182	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	145.1	-179.3	-56.7	-67.8	-104.8	0	0	110	L528 Q554 E566 Q567	L528-M564 HydrophobicContact CB-CE 4.06Å; L528-M564 HydrophobicContact CB-SD 4.02Å; Q554-M564 HydrophobicContact CG-SD 3.75Å; M564-E566 PolarHBondContact O-N 3.14Å; M564-E566 VanDerWaalsContact O-N 3.13Å; M564-Q567 HydrophobicContact CB-CG 4.2Å; M564-Q567 WeakPolarHBondContact O-CB 3.39Å; M564-Q567 PolarHBondContact O-N 3.05Å
565	K	90.2	Very high	88.3	Confident	62 Å²	62	60 Å²	60	27%	0.27	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61	-27.4	-176.8	-71.9	177.5	177.3	178.2	0	113.2	P551 A552 F553 Q554 F555 Q567 R568	P551-K565 WeakPolarHBondContact O-CE 3.5Å; P551-K565 PolarHBondContact O-NZ 2.94Å; A552-K565 WeakPolarHBondContact O-CE 3.47Å; A552-K565 PolarHBondContact O-NZ 2.98Å; F553-K565 WeakPolarHBondContact O-CG 3.25Å; F553-K565 PolarHBondContact O-N 2.88Å; Q554-K565 WeakPolarHBondContact O-CE 3.21Å; F555-K565 HydrophobicContact CD1-CG 4.25Å; F555-K565 HydrophobicContact CD2-CB 4.19Å; F555-K565 HydrophobicContact CD2-CG 3.72Å; F555-K565 HydrophobicContact CE1-CD 4.39Å; F555-K565 HydrophobicContact CE1-CG 4.17Å; F555-K565 HydrophobicContact CE2-CB 3.94Å; F555-K565 HydrophobicContact CE2-CD 4.42Å; F555-K565 HydrophobicContact CE2-CG 3.63Å; F555-K565 HydrophobicContact CG-CG 4.03Å; F555-K565 HydrophobicContact CZ-CB 4.49Å; F555-K565 HydrophobicContact CZ-CD 4.2Å; F555-K565 HydrophobicContact CZ-CG 3.87Å; K565-Q567 PolarHBondContact O-N 2.87Å; K565-R568 PolarHBondContact O-N 2.81Å
566	E	88	Confident	88	Confident	121 Å²	121	60.4 Å²	60.4	57%	0.565	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-65.1	-18.9	175.8	-65.7	65.4	-143	0	0	112.1	M564 K592	M564-E566 PolarHBondContact O-N 3.14Å; M564-E566 VanDerWaalsContact O-N 3.13Å; E566-K592 PolarHBondContact O-NZ 3.23Å
567	Q	90.1	Very high	87.7	Confident	47 Å²	47	58.3 Å²	58.3	22%	0.22	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-96.4	-0.9	179.6	-51.6	174.4	-87.2	0	0	113.5	Y563 M564 K565 C569 D570 Q574	Y563-Q567 HydrophobicContact CD2-CB 4.35Å; M564-Q567 HydrophobicContact CB-CG 4.2Å; M564-Q567 WeakPolarHBondContact O-CB 3.39Å; M564-Q567 PolarHBondContact O-N 3.05Å; K565-Q567 PolarHBondContact O-N 2.87Å; Q567-C569 PolarHBondContact O-N 2.03Å; Q567-D570 WeakPolarHBondContact CA-OD2 3.15Å; Q567-Q574 HydrophobicContact CB-CG 3.84Å; Q567-Q574 HydrophobicContact CG-CG 4.47Å
568	R	90.9	Very high	87.5	Confident	61 Å²	61	63 Å²	63	23%	0.23	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	128.8	173.4	-174.1	171.1	164.7	-91.7	-14.9	110.1	F555 Y563 K565 D570 D580 E588 K592	F555-R568 HydrophobicContact CD2-CB 4.11Å; F555-R568 HydrophobicContact CE2-CB 4.05Å; F555-R568 HydrophobicContact CE2-CG 4.5Å; Y563-R568 HydrophobicContact CE2-CB 3.94Å; K565-R568 PolarHBondContact O-N 2.81Å; R568-D570 VanDerWaalsContact C-N 3.28Å; R568-D570 PolarHBondContact O-N 2.67Å; R568-D580 WeakPolarHBondContact CG-O 3.33Å; R568-E588 IonicContact CZ-OE1 3.17Å; R568-E588 IonicContact CZ-OE2 2.79Å; R568-E588 IonicContact NH1-OE1 3.5Å; R568-E588 PolarHBondContact NH1-OE1 2.83Å; R568-E588 IonicContact NH1-OE2 2.66Å; R568-E588 PolarHBondContact NH1-OE2 3.46Å; R568-E588 IonicContact NH2-OE1 3.83Å; R568-E588 IonicContact NH2-OE2 2.71Å; R568-E588 PolarHBondContact NH2-OE2 2.98Å; R568-K592 VanDerWaalsContact O-CE 3.28Å; R568-K592 WeakPolarHBondContact O-CE 3.47Å
569	C	90.8	Very high	87.8	Confident	1 Å²	1	56 Å²	56	1%	0.007	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	29.1	178	-55	0	0	0	0	114.4	Q567 D580 E581 C584 E588 L589 K592	Q567-C569 PolarHBondContact O-N 2.03Å; C569-D580 PolarHBondContact N-O 2.99Å; C569-D580 VanDerWaalsContact N-O 3.16Å; C569-E581 WeakPolarHBondContact CA-OE1 3.17Å; C569-E581 PolarHBondContact N-OE1 2.87Å; C569-C584 VanDerWaalsContact CA-SG 3.53Å; C569-C584 HydrophobicContact CB-CB 3.77Å; C569-C584 WeakPolarHBondContact CB-SG 3.49Å; C569-C584 VanDerWaalsContact SG-CA 3.52Å; C569-C584 WeakPolarHBondContact SG-CB 3.48Å; C569-C584 CovalentContact SG-SG 2.02Å; C569-C584 PolarHBondContact SG-SG 3.31Å; C569-E588 HydrophobicContact CB-CB 4.19Å; C569-L589 HydrophobicContact CB-CD2 4.13Å; C569-K592 WeakPolarHBondContact O-CB 3.26Å; C569-K592 WeakPolarHBondContact O-CG 3.29Å
570	D	86.9	Confident	88.2	Confident	39 Å²	39	52.1 Å²	52.1	21%	0.209	29%	0.294	C	S	.	.	S	Bend	trans	-85	-12.7	179.8	80.9	14.7	0	0	0	113.8	Q567 R568 I572 E581 K592 Q593	Q567-D570 WeakPolarHBondContact CA-OD2 3.15Å; R568-D570 VanDerWaalsContact C-N 3.28Å; R568-D570 PolarHBondContact O-N 2.67Å; D570-I572 WeakPolarHBondContact OD1-CA 3.47Å; D570-I572 VanDerWaalsContact OD1-CB 3.22Å; D570-I572 WeakPolarHBondContact OD1-CB 3Å; D570-I572 PolarHBondContact OD1-N 2.95Å; D570-E581 PolarHBondContact N-OE1 2.76Å; D570-K592 HydrophobicContact CB-CB 4.5Å; D570-K592 HydrophobicContact CB-CD 4.32Å; D570-Q593 PolarHBondContact O-NE2 2.63Å
571	G	84.1	Confident	88.6	Confident	42 Å²	42	52.7 Å²	52.7	43%	0.433	29%	0.288	S	S	.	.	S	Bend	trans	97.1	1.9	-176.4	0	0	0	0	0	114.7	E581	G571-E581 WeakPolarHBondContact CA-OE2 3.48Å; G571-E581 VanDerWaalsContact N-CD 3.28Å; G571-E581 PolarHBondContact N-OE1 2.83Å; G571-E581 PolarHBondContact N-OE2 3.36Å
572	I	86.7	Confident	88.6	Confident	110 Å²	110	50.1 Å²	50.1	56%	0.564	29%	0.287	S	S	*	.	S	Bend	trans	-124.6	110.1	-176.6	-50.3	176.1	0	0	0	109.1	D570 Q574	D570-I572 WeakPolarHBondContact OD1-CA 3.47Å; D570-I572 VanDerWaalsContact OD1-CB 3.22Å; D570-I572 WeakPolarHBondContact OD1-CB 3Å; D570-I572 PolarHBondContact OD1-N 2.95Å; I572-Q574 PolarHBondContact O-N 2.92Å; I572-Q574 VanDerWaalsContact O-N 3.11Å; I572-Q574 PolarHBondContact O-NE2 2.86Å
573	A	87.9	Confident	88.3	Confident	55 Å²	55	58.7 Å²	58.7	46%	0.455	33%	0.326	S	S	.	.			trans	-64.1	111.7	179.1	0	0	0	0	0	112.9	L578	A573-L578 HydrophobicContact CB-CD2 3.41Å; A573-L578 VanDerWaalsContact CB-CD2 3.41Å
574	Q	87.1	Confident	88.2	Confident	76 Å²	76	59.3 Å²	59.3	36%	0.355	33%	0.332	S	S	.	.			trans	-85.9	-36.7	166.2	-42.8	-54	-45.4	0	0	110.7	Y563 Q567 I572 D580	Y563-Q574 HydrophobicContact CG-CB 4.42Å; Q567-Q574 HydrophobicContact CB-CG 3.84Å; Q567-Q574 HydrophobicContact CG-CG 4.47Å; I572-Q574 PolarHBondContact O-N 2.92Å; I572-Q574 VanDerWaalsContact O-N 3.11Å; I572-Q574 PolarHBondContact O-NE2 2.86Å; Q574-D580 WeakPolarHBondContact CA-OD2 2.91Å; Q574-D580 WeakPolarHBondContact CB-OD2 3.49Å; Q574-D580 WeakPolarHBondContact CG-OD2 3.22Å; Q574-D580 PolarHBondContact N-OD2 3.44Å
575	C	88	Confident	88.1	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.027	34%	0.337	C	S	.	.	S	Bend	trans	-85.8	135.4	177.2	-61.2	0	0	0	0	111.7	C557 Y563 D577 L578 D580	C557-C575 VanDerWaalsContact CA-SG 3.51Å; C557-C575 HydrophobicContact CB-CB 3.7Å; C557-C575 WeakPolarHBondContact CB-SG 3.3Å; C557-C575 WeakPolarHBondContact SG-CA 3.34Å; C557-C575 WeakPolarHBondContact SG-CB 3.44Å; C557-C575 CovalentContact SG-SG 2.03Å; C557-C575 PolarHBondContact SG-SG 2.84Å; Y563-C575 VanDerWaalsContact CD1-SG 3.54Å; C575-D577 WeakPolarHBondContact CB-OD1 3.31Å; C575-D577 PolarHBondContact O-N 2.87Å; C575-D577 VanDerWaalsContact O-N 3.12Å; C575-L578 PolarHBondContact O-N 3.14Å; C575-D580 VanDerWaalsContact CB-OD1 3.3Å; C575-D580 WeakPolarHBondContact CB-OD1 3.36Å; C575-D580 PolarHBondContact N-OD1 2.86Å; C575-D580 PolarHBondContact N-OD2 2.98Å
576	A	84.8	Confident	88.1	Confident	90 Å²	90	58.7 Å²	58.7	74%	0.744	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.6	177.2	0	0	0	0	0	113.8
577	D	84.9	Confident	88	Confident	60 Å²	60	53.7 Å²	53.7	32%	0.321	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-2.7	177.2	57	34.5	0	0	0	113.9	E558 D559 C575 S579	E558-D577 WeakPolarHBondContact CB-OD2 3.41Å; E558-D577 PolarHBondContact N-OD2 3.05Å; D559-D577 PolarHBondContact N-OD2 3.42Å; C575-D577 WeakPolarHBondContact CB-OD1 3.31Å; C575-D577 PolarHBondContact O-N 2.87Å; C575-D577 VanDerWaalsContact O-N 3.12Å; D577-S579 VanDerWaalsContact C-N 3.31Å; D577-S579 WeakPolarHBondContact OD1-CB 3.15Å; D577-S579 PolarHBondContact OD1-N 2.79Å; D577-S579 PolarHBondContact OD1-OG 2.86Å
578	L	85.3	Confident	87.9	Confident	103 Å²	103	54.8 Å²	54.8	54%	0.539	32%	0.323	S	S	.	.			trans	65.2	19	-174.8	-42.1	178	0	0	0	115.5	A573 C575 D580 E581 A582	A573-L578 HydrophobicContact CB-CD2 3.41Å; A573-L578 VanDerWaalsContact CB-CD2 3.41Å; C575-L578 PolarHBondContact O-N 3.14Å; L578-D580 VanDerWaalsContact C-N 3.25Å; L578-D580 PolarHBondContact O-N 3.47Å; L578-E581 CarbonylContact O-C 3.58Å; L578-E581 PolarHBondContact O-N 2.79Å; L578-A582 PolarHBondContact O-N 3.05Å; L578-A582 VanDerWaalsContact O-N 3.08Å
579	S	89.6	Confident	87.8	Confident	29 Å²	29	54.8 Å²	54.8	20%	0.203	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.5	-176.3	-59.3	0	0	0	0	114.9	D577 A582	D577-S579 VanDerWaalsContact C-N 3.31Å; D577-S579 WeakPolarHBondContact OD1-CB 3.15Å; D577-S579 PolarHBondContact OD1-N 2.79Å; D577-S579 PolarHBondContact OD1-OG 2.86Å; S579-A582 PolarHBondContact O-N 3.22Å
580	D	89.9	Confident	87.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-31.3	174	55.3	-38.1	0	0	0	113.2	Y563 R568 C569 Q574 C575 L578	Y563-D580 HydrophobicContact CD1-CB 4.32Å; Y563-D580 HydrophobicContact CD2-CB 3.98Å; Y563-D580 HydrophobicContact CE1-CB 3.9Å; Y563-D580 HydrophobicContact CE2-CB 3.52Å; Y563-D580 HydrophobicContact CG-CB 4.36Å; Y563-D580 VanDerWaalsContact CZ-CB 3.47Å; R568-D580 WeakPolarHBondContact CG-O 3.33Å; C569-D580 PolarHBondContact N-O 2.99Å; C569-D580 VanDerWaalsContact N-O 3.16Å; Q574-D580 WeakPolarHBondContact CA-OD2 2.91Å; Q574-D580 WeakPolarHBondContact CB-OD2 3.49Å; Q574-D580 WeakPolarHBondContact CG-OD2 3.22Å; Q574-D580 PolarHBondContact N-OD2 3.44Å; C575-D580 VanDerWaalsContact CB-OD1 3.3Å; C575-D580 WeakPolarHBondContact CB-OD1 3.36Å; C575-D580 PolarHBondContact N-OD1 2.86Å; C575-D580 PolarHBondContact N-OD2 2.98Å; L578-D580 VanDerWaalsContact C-N 3.25Å; L578-D580 PolarHBondContact O-N 3.47Å
581	E	90.5	Very high	87.5	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	35%	0.345	C	S	.	.	S	Bend	trans	-97	4.4	173.3	-65.9	-60.1	118.9	0	0	112.6	C569 D570 G571 L578	C569-E581 WeakPolarHBondContact CA-OE1 3.17Å; C569-E581 PolarHBondContact N-OE1 2.87Å; D570-E581 PolarHBondContact N-OE1 2.76Å; G571-E581 WeakPolarHBondContact CA-OE2 3.48Å; G571-E581 VanDerWaalsContact N-CD 3.28Å; G571-E581 PolarHBondContact N-OE1 2.83Å; G571-E581 PolarHBondContact N-OE2 3.36Å; L578-E581 CarbonylContact O-C 3.58Å; L578-E581 PolarHBondContact O-N 2.79Å
582	A	88.9	Confident	87.5	Confident	42 Å²	42	59 Å²	59	35%	0.347	34%	0.343	S	S	.	.	S	Bend	trans	-88.9	146.1	177.9	0	0	0	0	0	112.4	L578 S579 C584	L578-A582 PolarHBondContact O-N 3.05Å; L578-A582 VanDerWaalsContact O-N 3.08Å; S579-A582 PolarHBondContact O-N 3.22Å; A582-C584 PolarHBondContact O-N 2.96Å; A582-C584 VanDerWaalsContact O-N 3.12Å
583	Q	87.1	Confident	87.2	Confident	190 Å²	190	56.5 Å²	56.5	89%	0.888	33%	0.329	S	S	*	.	S	Bend	trans	58.1	23.2	175	-50.6	-176.1	15.7	0	0	114.7
584	C	89.3	Confident	86.7	Confident	28 Å²	28	56.7 Å²	56.7	19%	0.189	32%	0.32	C	S	.	.			trans	-63.5	138.3	170.7	-59	0	0	0	0	111.7	C569 A582 E588 L589	C569-C584 VanDerWaalsContact CA-SG 3.53Å; C569-C584 HydrophobicContact CB-CB 3.77Å; C569-C584 WeakPolarHBondContact CB-SG 3.49Å; C569-C584 VanDerWaalsContact SG-CA 3.52Å; C569-C584 WeakPolarHBondContact SG-CB 3.48Å; C569-C584 CovalentContact SG-SG 2.02Å; C569-C584 PolarHBondContact SG-SG 3.31Å; A582-C584 PolarHBondContact O-N 2.96Å; A582-C584 VanDerWaalsContact O-N 3.12Å; C584-E588 WeakPolarHBondContact CA-OE2 3.42Å; C584-L589 HydrophobicContact CB-CD1 4.24Å; C584-L589 HydrophobicContact CB-CD2 4.01Å; C584-L589 HydrophobicContact CB-CG 3.9Å
585	S	89.6	Confident	86.3	Confident	41 Å²	41	57 Å²	57	29%	0.287	33%	0.33	S	S	.	.			trans	-76.3	164.1	165	82.8	0	0	0	0	111	A587 E588 L589	S585-A587 VanDerWaalsContact C-N 3.35Å; S585-A587 PolarHBondContact OG-N 3.17Å; S585-E588 PolarHBondContact N-OE2 3.11Å; S585-E588 PolarHBondContact O-N 3.37Å; S585-E588 WeakPolarHBondContact OG-CG 3.32Å; S585-E588 PolarHBondContact OG-N 2.04Å; S585-L589 PolarHBondContact O-N 3.24Å
586	C	89.2	Confident	85.5	Confident	45 Å²	45	61 Å²	61	30%	0.304	35%	0.348	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.7	174.9	0	0	0	0	111.3	E588 L589 L590 C605	C586-E588 VanDerWaalsContact C-N 3.32Å; C586-E588 PolarHBondContact O-N 2.93Å; C586-L589 PolarHBondContact O-N 3.5Å; C586-L590 PolarHBondContact O-N 3.4Å; C586-C605 HydrophobicContact CB-CB 3.7Å; C586-C605 WeakPolarHBondContact CB-SG 3.06Å; C586-C605 WeakPolarHBondContact SG-CA 3.37Å; C586-C605 WeakPolarHBondContact SG-CB 3.36Å; C586-C605 CovalentContact SG-SG 2.03Å; C586-C605 PolarHBondContact SG-SG 3.17Å
587	A	86.3	Confident	85.1	Confident	17 Å²	17	61 Å²	61	14%	0.14	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-38.2	172.5	0	0	0	0	0	114	S585 L589 L590 A591 I598 S609	S585-A587 VanDerWaalsContact C-N 3.35Å; S585-A587 PolarHBondContact OG-N 3.17Å; A587-L589 VanDerWaalsContact C-N 3.34Å; A587-L590 PolarHBondContact O-N 3.43Å; A587-A591 WeakPolarHBondContact O-CB 3.48Å; A587-A591 PolarHBondContact O-N 3.45Å; A587-I598 HydrophobicContact CB-CD1 4.45Å; A587-S609 VanDerWaalsContact CB-C 3.44Å; A587-S609 WeakPolarHBondContact CB-O 3.32Å; A587-S609 PolarHBondContact N-OG 2.87Å
588	E	88.9	Confident	84.7	Confident	69 Å²	69	60.7 Å²	60.7	32%	0.322	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-39.9	177.7	-75.1	177.7	147.5	0	0	111.4	R568 C569 C584 S585 C586 K592	R568-E588 IonicContact CZ-OE1 3.17Å; R568-E588 IonicContact CZ-OE2 2.79Å; R568-E588 IonicContact NH1-OE1 3.5Å; R568-E588 PolarHBondContact NH1-OE1 2.83Å; R568-E588 IonicContact NH1-OE2 2.66Å; R568-E588 PolarHBondContact NH1-OE2 3.46Å; R568-E588 IonicContact NH2-OE1 3.83Å; R568-E588 IonicContact NH2-OE2 2.71Å; R568-E588 PolarHBondContact NH2-OE2 2.98Å; C569-E588 HydrophobicContact CB-CB 4.19Å; C584-E588 WeakPolarHBondContact CA-OE2 3.42Å; S585-E588 PolarHBondContact N-OE2 3.11Å; S585-E588 PolarHBondContact O-N 3.37Å; S585-E588 WeakPolarHBondContact OG-CG 3.32Å; S585-E588 PolarHBondContact OG-N 2.04Å; C586-E588 VanDerWaalsContact C-N 3.32Å; C586-E588 PolarHBondContact O-N 2.93Å; E588-K592 WeakPolarHBondContact O-CG 3.41Å
589	L	88.1	Confident	84.1	Confident	62 Å²	62	56.7 Å²	56.7	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-70.8	-43.8	176.4	-66.2	167.7	0	0	0	112	C569 C584 S585 C586 A587 K592 Q593	C569-L589 HydrophobicContact CB-CD2 4.13Å; C584-L589 HydrophobicContact CB-CD1 4.24Å; C584-L589 HydrophobicContact CB-CD2 4.01Å; C584-L589 HydrophobicContact CB-CG 3.9Å; S585-L589 PolarHBondContact O-N 3.24Å; C586-L589 PolarHBondContact O-N 3.5Å; A587-L589 VanDerWaalsContact C-N 3.34Å; L589-K592 PolarHBondContact O-N 3.16Å; L589-Q593 WeakPolarHBondContact O-CB 3.47Å; L589-Q593 WeakPolarHBondContact O-CG 3.14Å; L589-Q593 PolarHBondContact O-N 3.01Å
590	L	85.8	Confident	83.1	Confident	23 Å²	23	56.7 Å²	56.7	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-45.9	177.3	-71.2	-179.5	0	0	0	111.5	C586 A587 K592 Q593 H594 R597 I598 D604 C605 D610	C586-L590 PolarHBondContact O-N 3.4Å; A587-L590 PolarHBondContact O-N 3.43Å; L590-K592 PolarHBondContact O-N 2.63Å; L590-Q593 PolarHBondContact O-N 3.21Å; L590-H594 HydrophobicContact CD2-CB 4.04Å; L590-H594 CarbonylContact O-C 3.49Å; L590-H594 WeakPolarHBondContact O-CA 3.24Å; L590-H594 PolarHBondContact O-N 3.19Å; L590-H594 VanDerWaalsContact O-O 3.1Å; L590-R597 HydrophobicContact CD1-CB 4.3Å; L590-R597 HydrophobicContact CD2-CB 4.36Å; L590-I598 HydrophobicContact CB-CD1 3.73Å; L590-I598 HydrophobicContact CB-CG1 4.25Å; L590-D604 HydrophobicContact CD1-CB 3.79Å; L590-C605 WeakPolarHBondContact CD1-SG 3.31Å; L590-D610 HydrophobicContact CD1-CB 4.04Å
591	A	84.7	Confident	81.9	Confident	55 Å²	55	59 Å²	59	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-14.4	177.1	0	0	0	0	0	114.4	A587 I598	A587-A591 WeakPolarHBondContact O-CB 3.48Å; A587-A591 PolarHBondContact O-N 3.45Å; A591-I598 HydrophobicContact CB-CD1 4.26Å; A591-I598 HydrophobicContact CB-CG1 4.06Å
592	K	83.9	Confident	80.7	Confident	91 Å²	91	57.9 Å²	57.9	40%	0.396	31%	0.312	S	S	.	.	H	α-helix	trans	-99.7	-43.5	175.1	-65.6	-74.6	-176.3	172.7	0	113.4	E566 R568 C569 D570 E588 L589 L590	E566-K592 PolarHBondContact O-NZ 3.23Å; R568-K592 VanDerWaalsContact O-CE 3.28Å; R568-K592 WeakPolarHBondContact O-CE 3.47Å; C569-K592 WeakPolarHBondContact O-CB 3.26Å; C569-K592 WeakPolarHBondContact O-CG 3.29Å; D570-K592 HydrophobicContact CB-CB 4.5Å; D570-K592 HydrophobicContact CB-CD 4.32Å; E588-K592 WeakPolarHBondContact O-CG 3.41Å; L589-K592 PolarHBondContact O-N 3.16Å; L590-K592 PolarHBondContact O-N 2.63Å
593	Q	81.9	Confident	79.9	Confident	58 Å²	58	57.8 Å²	57.8	27%	0.271	31%	0.311	S	S	.	.	H	α-helix	trans	-100.9	-28.9	-170.1	-59.2	-169.2	16.1	0	0	114.1	R138 D570 L589 L590	R138-Q593 VanDerWaalsContact NH2-OE1 3.15Å; D570-Q593 PolarHBondContact O-NE2 2.63Å; L589-Q593 WeakPolarHBondContact O-CB 3.47Å; L589-Q593 WeakPolarHBondContact O-CG 3.14Å; L589-Q593 PolarHBondContact O-N 3.01Å; L590-Q593 PolarHBondContact O-N 3.21Å
594	H	77.6	Confident	79.5	Confident	59 Å²	59	51.7 Å²	51.7	27%	0.273	28%	0.284	S	S	.	.			trans	-144.6	63	-176	-71.1	-69.4	0	0	0	110.3	L590 E596 R597	L590-H594 HydrophobicContact CD2-CB 4.04Å; L590-H594 CarbonylContact O-C 3.49Å; L590-H594 WeakPolarHBondContact O-CA 3.24Å; L590-H594 PolarHBondContact O-N 3.19Å; L590-H594 VanDerWaalsContact O-O 3.1Å; H594-E596 WeakPolarHBondContact CA-OE2 3.2Å; H594-E596 WeakPolarHBondContact CB-OE1 3.29Å; H594-E596 IonicContact CE1-OE1 3.49Å; H594-E596 IonicContact CG-OE1 2.83Å; H594-E596 IonicContact ND1-OE1 3.62Å; H594-E596 PolarHBondContact ND1-OE1 2.98Å; H594-E596 PolarHBondContact O-N 3.25Å; H594-R597 HydrophobicContact CB-CB 4.35Å; H594-R597 HydrophobicContact CB-CG 4.04Å; H594-R597 WeakPolarHBondContact O-CB 3.4Å; H594-R597 PolarHBondContact O-N 3.28Å
595	P	78.5	Confident	79.1	Confident	84 Å²	84	50.4 Å²	50.4	55%	0.545	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-62.7	-13.5	-178.4	28.5	-36.6	0	0	0	113.2	R597	P595-R597 PolarHBondContact O-N 3.1Å
596	E	70.1	Confident	78.7	Confident	88 Å²	88	58.4 Å²	58.4	41%	0.411	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-69.4	-13.4	168.8	73.9	-75.1	178.8	0	0	114.4	H594 D600	H594-E596 WeakPolarHBondContact CA-OE2 3.2Å; H594-E596 WeakPolarHBondContact CB-OE1 3.29Å; H594-E596 IonicContact CE1-OE1 3.49Å; H594-E596 IonicContact CG-OE1 2.83Å; H594-E596 IonicContact ND1-OE1 3.62Å; H594-E596 PolarHBondContact ND1-OE1 2.98Å; H594-E596 PolarHBondContact O-N 3.25Å; E596-D600 WeakPolarHBondContact O-CB 3.07Å
597	R	76.8	Confident	78.4	Confident	90 Å²	90	60.6 Å²	60.6	34%	0.34	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-106.6	29.8	177.9	-57.5	173.1	-176.3	-116.4	7.9	112.8	L590 H594 P595 D604	L590-R597 HydrophobicContact CD1-CB 4.3Å; L590-R597 HydrophobicContact CD2-CB 4.36Å; H594-R597 HydrophobicContact CB-CB 4.35Å; H594-R597 HydrophobicContact CB-CG 4.04Å; H594-R597 WeakPolarHBondContact O-CB 3.4Å; H594-R597 PolarHBondContact O-N 3.28Å; P595-R597 PolarHBondContact O-N 3.1Å; R597-D604 HydrophobicContact CB-CB 4.47Å; R597-D604 WeakPolarHBondContact CD-OD2 3.44Å; R597-D604 WeakPolarHBondContact CG-OD2 3.34Å; R597-D604 IonicContact CZ-OD1 3.09Å; R597-D604 IonicContact CZ-OD2 2.86Å; R597-D604 IonicContact NE-OD2 2.73Å; R597-D604 IonicContact NH1-OD1 2.77Å; R597-D604 PolarHBondContact NH1-OD1 2.72Å; R597-D604 IonicContact NH1-OD2 3.82Å; R597-D604 PolarHBondContact NH1-OD2 3.38Å
598	I	77.7	Confident	78	Confident	52 Å²	52	62 Å²	62	27%	0.267	32%	0.322	S	S	.	.	S	Bend	trans	-122.7	117.6	174.2	-64.5	-65.6	0	0	0	106.6	A587 L590 A591 D600 D610	A587-I598 HydrophobicContact CB-CD1 4.45Å; L590-I598 HydrophobicContact CB-CD1 3.73Å; L590-I598 HydrophobicContact CB-CG1 4.25Å; A591-I598 HydrophobicContact CB-CD1 4.26Å; A591-I598 HydrophobicContact CB-CG1 4.06Å; I598-D600 VanDerWaalsContact C-N 3.32Å; I598-D600 PolarHBondContact O-N 3.4Å; I598-D610 HydrophobicContact CD1-CB 4.02Å
599	C	72.6	Confident	77.9	Confident	20 Å²	20	59.8 Å²	59.8	14%	0.135	32%	0.315	C	S	.	.	S	Bend	trans	63.4	31.7	-176.9	-55.4	0	0	0	0	114.4	D610 E611 C614	C599-D610 PolarHBondContact N-O 2.93Å; C599-E611 WeakPolarHBondContact CA-OE1 3.07Å; C599-E611 PolarHBondContact N-OE1 3.35Å; C599-E611 VanDerWaalsContact N-OE1 3.08Å; C599-C614 VanDerWaalsContact CA-SG 3.56Å; C599-C614 HydrophobicContact CB-CB 3.7Å; C599-C614 WeakPolarHBondContact CB-SG 3.46Å; C599-C614 WeakPolarHBondContact SG-CA 3.21Å; C599-C614 WeakPolarHBondContact SG-CB 3.29Å; C599-C614 CovalentContact SG-SG 2.03Å; C599-C614 PolarHBondContact SG-SG 2.02Å
600	D	68.7	Low	77.4	Confident	29 Å²	29	56.9 Å²	56.9	16%	0.155	30%	0.299	C	S	.	.	S	Bend	trans	-92	0.9	174.2	84.1	-23.8	0	0	0	113.1	E596 I598 V602 E611	E596-D600 WeakPolarHBondContact O-CB 3.07Å; I598-D600 VanDerWaalsContact C-N 3.32Å; I598-D600 PolarHBondContact O-N 3.4Å; D600-V602 VanDerWaalsContact C-N 3.28Å; D600-V602 WeakPolarHBondContact OD1-CA 3.08Å; D600-V602 WeakPolarHBondContact OD1-CB 3.46Å; D600-V602 WeakPolarHBondContact OD1-CG2 3.11Å; D600-V602 PolarHBondContact OD1-N 2.97Å; D600-V602 WeakPolarHBondContact OD2-CG2 3.47Å; D600-E611 PolarHBondContact N-OE1 3.04Å
601	Q	63.2	Low	76.9	Confident	47 Å²	47	56 Å²	56	22%	0.22	30%	0.295	C	S	.	.	S	Bend	trans	78.2	-0.9	-177.8	-50.8	174.3	16.5	0	0	114.5	E611 W668	Q601-E611 VanDerWaalsContact CA-OE2 3.26Å; Q601-E611 WeakPolarHBondContact CA-OE2 3.42Å; Q601-E611 PolarHBondContact N-OE1 2.63Å; Q601-E611 PolarHBondContact N-OE2 3.1Å; Q601-W668 PolarHBondContact O-NE1 2.9Å
602	V	65.3	Low	76.6	Confident	25 Å²	25	58.3 Å²	58.3	15%	0.152	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-89.3	141.6	176.1	-170.4	0	0	0	0	110.2	D600 D604 E611 W668	D600-V602 VanDerWaalsContact C-N 3.28Å; D600-V602 WeakPolarHBondContact OD1-CA 3.08Å; D600-V602 WeakPolarHBondContact OD1-CB 3.46Å; D600-V602 WeakPolarHBondContact OD1-CG2 3.11Å; D600-V602 PolarHBondContact OD1-N 2.97Å; D600-V602 WeakPolarHBondContact OD2-CG2 3.47Å; V602-D604 PolarHBondContact O-N 3.44Å; V602-E611 WeakPolarHBondContact O-CG 3.32Å; V602-W668 HydrophobicContact CB-CZ2 4.26Å; V602-W668 HydrophobicContact CG1-CZ2 3.73Å; V602-W668 HydrophobicContact CG2-CZ2 3.81Å
603	A	73	Confident	76	Confident	41 Å²	41	60.8 Å²	60.8	34%	0.339	31%	0.313	S	S	.	.			trans	-86.8	76.8	171.3	0	0	0	0	0	110.5	L608	A603-L608 HydrophobicContact CB-CD2 3.45Å; A603-L608 VanDerWaalsContact CB-CD2 3.45Å
604	D	77.6	Confident	75.4	Confident	61 Å²	61	58.7 Å²	58.7	33%	0.326	31%	0.305	S	S	.	.			trans	-75.8	-28.3	173.2	-104.7	-56.1	0	0	0	111.5	L590 R597 V602 D610	L590-D604 HydrophobicContact CD1-CB 3.79Å; R597-D604 HydrophobicContact CB-CB 4.47Å; R597-D604 WeakPolarHBondContact CD-OD2 3.44Å; R597-D604 WeakPolarHBondContact CG-OD2 3.34Å; R597-D604 IonicContact CZ-OD1 3.09Å; R597-D604 IonicContact CZ-OD2 2.86Å; R597-D604 IonicContact NE-OD2 2.73Å; R597-D604 IonicContact NH1-OD1 2.77Å; R597-D604 PolarHBondContact NH1-OD1 2.72Å; R597-D604 IonicContact NH1-OD2 3.82Å; R597-D604 PolarHBondContact NH1-OD2 3.38Å; V602-D604 PolarHBondContact O-N 3.44Å; D604-D610 WeakPolarHBondContact CA-OD2 3.32Å; D604-D610 PolarHBondContact N-OD2 2.76Å
605	C	82.4	Confident	74.3	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	33%	0.329	C	S	.	.	S	Bend	trans	-96.8	131.4	173.1	-66	0	0	0	0	113.2	C586 L590 D607 L608 D610	C586-C605 HydrophobicContact CB-CB 3.7Å; C586-C605 WeakPolarHBondContact CB-SG 3.06Å; C586-C605 WeakPolarHBondContact SG-CA 3.37Å; C586-C605 WeakPolarHBondContact SG-CB 3.36Å; C586-C605 CovalentContact SG-SG 2.03Å; C586-C605 PolarHBondContact SG-SG 3.17Å; L590-C605 WeakPolarHBondContact CD1-SG 3.31Å; C605-D607 WeakPolarHBondContact CB-OD1 3.37Å; C605-D607 PolarHBondContact O-N 3.25Å; C605-D607 VanDerWaalsContact O-N 3.11Å; C605-L608 PolarHBondContact O-N 2.9Å; C605-D610 HydrophobicContact CB-CB 4.16Å; C605-D610 WeakPolarHBondContact CB-OD1 2.99Å; C605-D610 PolarHBondContact N-OD2 3.03Å
606	Q	81.2	Confident	73	Confident	209 Å²	209	64 Å²	64	98%	0.977	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.4	177.9	-170.3	175.9	16.1	0	0	114
607	D	82.6	Confident	71.9	Confident	92 Å²	92	64 Å²	64	49%	0.492	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	7.6	176.4	68.6	-13.7	0	0	0	113.8	C605 S609 Q612	C605-D607 WeakPolarHBondContact CB-OD1 3.37Å; C605-D607 PolarHBondContact O-N 3.25Å; C605-D607 VanDerWaalsContact O-N 3.11Å; D607-S609 PolarHBondContact O-N 2.86Å; D607-S609 VanDerWaalsContact OD1-CB 3.22Å; D607-S609 WeakPolarHBondContact OD1-CB 3.46Å; D607-S609 PolarHBondContact OD1-N 3.47Å; D607-S609 PolarHBondContact OD1-OG 3.23Å; D607-S609 PolarHBondContact OD2-OG 3.09Å; D607-Q612 PolarHBondContact O-NE2 3.45Å
608	L	77.2	Confident	70.3	Confident	46 Å²	46	63.8 Å²	63.8	24%	0.241	35%	0.348	C	S	.	.	S	Bend	trans	55.2	26.9	-176	-52.3	175.8	0	0	0	113.4	A603 C605 D610 E611 Q612	A603-L608 HydrophobicContact CB-CD2 3.45Å; A603-L608 VanDerWaalsContact CB-CD2 3.45Å; C605-L608 PolarHBondContact O-N 2.9Å; L608-D610 WeakPolarHBondContact CA-OD1 3.4Å; L608-E611 PolarHBondContact O-N 3.41Å; L608-Q612 VanDerWaalsContact C-NE2 3.27Å; L608-Q612 VanDerWaalsContact O-CG 3.28Å; L608-Q612 WeakPolarHBondContact O-CG 3.05Å; L608-Q612 PolarHBondContact O-N 3.04Å; L608-Q612 PolarHBondContact O-NE2 3.33Å
609	S	85.9	Confident	68.6	Low	23 Å²	23	66.5 Å²	66.5	16%	0.161	37%	0.367	C	S	.	.			trans	-73.5	-29.6	-176.1	55.1	0	0	0	0	113.7	A587 D607 E611	A587-S609 VanDerWaalsContact CB-C 3.44Å; A587-S609 WeakPolarHBondContact CB-O 3.32Å; A587-S609 PolarHBondContact N-OG 2.87Å; D607-S609 PolarHBondContact O-N 2.86Å; D607-S609 VanDerWaalsContact OD1-CB 3.22Å; D607-S609 WeakPolarHBondContact OD1-CB 3.46Å; D607-S609 PolarHBondContact OD1-N 3.47Å; D607-S609 PolarHBondContact OD1-OG 3.23Å; D607-S609 PolarHBondContact OD2-OG 3.09Å; S609-E611 VanDerWaalsContact C-N 3.28Å
610	D	78.7	Confident	67.2	Low	1 Å²	1	69.1 Å²	69.1	1%	0.005	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-41.3	167.2	47.7	-8	0	0	0	113.5	L590 I598 C599 D604 C605 L608	L590-D610 HydrophobicContact CD1-CB 4.04Å; I598-D610 HydrophobicContact CD1-CB 4.02Å; C599-D610 PolarHBondContact N-O 2.93Å; D604-D610 WeakPolarHBondContact CA-OD2 3.32Å; D604-D610 PolarHBondContact N-OD2 2.76Å; C605-D610 HydrophobicContact CB-CB 4.16Å; C605-D610 WeakPolarHBondContact CB-OD1 2.99Å; C605-D610 PolarHBondContact N-OD2 3.03Å; L608-D610 WeakPolarHBondContact CA-OD1 3.4Å
611	E	74.9	Confident	66.5	Low	4 Å²	4	72.5 Å²	72.5	2%	0.019	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	5.1	-170.9	-82	-60.6	121.7	0	0	113.3	C599 D600 Q601 V602 L608 S609 C614 Y667	C599-E611 WeakPolarHBondContact CA-OE1 3.07Å; C599-E611 PolarHBondContact N-OE1 3.35Å; C599-E611 VanDerWaalsContact N-OE1 3.08Å; D600-E611 PolarHBondContact N-OE1 3.04Å; Q601-E611 VanDerWaalsContact CA-OE2 3.26Å; Q601-E611 WeakPolarHBondContact CA-OE2 3.42Å; Q601-E611 PolarHBondContact N-OE1 2.63Å; Q601-E611 PolarHBondContact N-OE2 3.1Å; V602-E611 WeakPolarHBondContact O-CG 3.32Å; L608-E611 PolarHBondContact O-N 3.41Å; S609-E611 VanDerWaalsContact C-N 3.28Å; E611-C614 PolarHBondContact O-SG 3.38Å; E611-Y667 HydrophobicContact CB-CD1 3.72Å; E611-Y667 HydrophobicContact CB-CE1 3.53Å; E611-Y667 HydrophobicContact CG-CD1 3.95Å; E611-Y667 HydrophobicContact CG-CE1 4.13Å; E611-Y667 VanDerWaalsContact O-CE1 3.3Å; E611-Y667 WeakPolarHBondContact O-CE1 3.43Å; E611-Y667 VanDerWaalsContact O-CZ 3.32Å; E611-Y667 PolarHBondContact O-OH 3.43Å; E611-Y667 WeakPolarHBondContact OE2-CD1 3.48Å; E611-Y667 WeakPolarHBondContact OE2-CE1 3.33Å
612	Q	79.2	Confident	66.4	Low	104 Å²	104	74.9 Å²	74.9	49%	0.486	43%	0.432	S	S	.	.	S	Bend	trans	-95.2	144.2	178	-82.2	168.8	71	0	0	112.5	D607 L608 C614	D607-Q612 PolarHBondContact O-NE2 3.45Å; L608-Q612 VanDerWaalsContact C-NE2 3.27Å; L608-Q612 VanDerWaalsContact O-CG 3.28Å; L608-Q612 WeakPolarHBondContact O-CG 3.05Å; L608-Q612 PolarHBondContact O-N 3.04Å; L608-Q612 PolarHBondContact O-NE2 3.33Å; Q612-C614 PolarHBondContact O-N 3.23Å
613	N	71.3	Confident	66.5	Low	142 Å²	142	74.5 Å²	74.5	76%	0.759	43%	0.431	S	S	*	.			trans	64.9	24.7	177.6	-51.6	-59.2	0	0	0	116.6	D615	N613-D615 PolarHBondContact O-N 3.25Å
614	C	69	Low	66.5	Low	14 Å²	14	73.6 Å²	73.6	10%	0.095	42%	0.42	C	S	.	.			trans	-60.5	2.2	176.1	-58.2	0	0	0	0	116.7	C599 E611 Q612 S616 V617 H618	C599-C614 VanDerWaalsContact CA-SG 3.56Å; C599-C614 HydrophobicContact CB-CB 3.7Å; C599-C614 WeakPolarHBondContact CB-SG 3.46Å; C599-C614 WeakPolarHBondContact SG-CA 3.21Å; C599-C614 WeakPolarHBondContact SG-CB 3.29Å; C599-C614 CovalentContact SG-SG 2.03Å; C599-C614 PolarHBondContact SG-SG 2.02Å; E611-C614 PolarHBondContact O-SG 3.38Å; Q612-C614 PolarHBondContact O-N 3.23Å; C614-S616 PolarHBondContact O-N 3.31Å; C614-V617 PolarHBondContact O-N 2.81Å; C614-H618 PolarHBondContact O-CD2 2.88Å; C614-H618 VanDerWaalsContact O-CD2 3.23Å
615	D	54.5	Low	66	Low	144 Å²	144	73.8 Å²	73.8	77%	0.77	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	19.6	-174.3	-70.1	-44.1	0	0	0	115.4	N613	N613-D615 PolarHBondContact O-N 3.25Å
616	S	51.7	Low	65.4	Low	111 Å²	111	73.8 Å²	73.8	78%	0.776	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-7	-179.5	65.5	0	0	0	0	116.7	C614	C614-S616 PolarHBondContact O-N 3.31Å
617	V	47.1	Very low	64.6	Low	87 Å²	87	68.2 Å²	68.2	53%	0.527	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-11.7	179.7	-170.7	0	0	0	0	112.8	C614 T619 I625	C614-V617 PolarHBondContact O-N 2.81Å; V617-T619 PolarHBondContact O-N 2.73Å; V617-T619 VanDerWaalsContact O-N 3.14Å; V617-I625 HydrophobicContact CG1-CD1 4.38Å
618	H	42.6	Very low	63.4	Low	87 Å²	87	66.6 Å²	66.6	40%	0.403	39%	0.392	S	S	.	.			trans	-80	98.3	-174.5	-63.6	-60.1	0	0	0	114.5	C614 S620	C614-H618 PolarHBondContact O-CD2 2.88Å; C614-H618 VanDerWaalsContact O-CD2 3.23Å; H618-S620 VanDerWaalsContact C-N 3.27Å; H618-S620 PolarHBondContact O-N 3.16Å
619	T	42.3	Very low	62.4	Low	108 Å²	108	67.3 Å²	67.3	66%	0.663	41%	0.411	S	S	*	.	S	Bend	trans	-69.8	85.4	159.4	49.7	0	0	0	0	110.4	V617	V617-T619 PolarHBondContact O-N 2.73Å; V617-T619 VanDerWaalsContact O-N 3.14Å
620	S	43.6	Very low	61.5	Low	75 Å²	75	72.6 Å²	72.6	52%	0.524	43%	0.427	S	S	.	.	S	Bend	trans	74.6	149	-173	87	0	0	0	0	115.4	H618 N622	H618-S620 VanDerWaalsContact C-N 3.27Å; H618-S620 PolarHBondContact O-N 3.16Å; S620-N622 PolarHBondContact O-N 2.84Å; S620-N622 VanDerWaalsContact O-N 3.16Å
621	A	53.4	Low	61.3	Low	101 Å²	101	75.1 Å²	75.1	84%	0.835	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	9.5	177.5	0	0	0	0	0	114
622	N	61.8	Low	61.5	Low	96 Å²	96	75.6 Å²	75.6	51%	0.513	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	17.4	-179.2	-79.9	48.4	0	0	0	111.7	S620 D633 V634	S620-N622 PolarHBondContact O-N 2.84Å; S620-N622 VanDerWaalsContact O-N 3.16Å; N622-D633 CarbonylContact O-C 3.57Å; N622-D633 WeakPolarHBondContact O-CA 3.47Å; N622-V634 VanDerWaalsContact C-CG2 3.49Å; N622-V634 WeakPolarHBondContact O-CG2 3.19Å; N622-V634 PolarHBondContact O-N 2.95Å
623	A	66.8	Low	61.7	Low	17 Å²	17	74.3 Å²	74.3	14%	0.14	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.1	-180	0	0	0	0	0	112.4	I632	A623-I632 CarbonylContact C-O 3.55Å; A623-I632 VanDerWaalsContact CA-O 3.32Å; A623-I632 WeakPolarHBondContact CA-O 3.46Å
624	F	71.7	Confident	62.1	Low	23 Å²	23	69.1 Å²	69.1	10%	0.101	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.2	165.5	177.1	-99.6	0	0	0	109	A631 I632 V634 V637 D649	F624-A631 CarbonylContact O-C 3.54Å; F624-A631 WeakPolarHBondContact O-CA 3.09Å; F624-I632 HydrophobicContact CB-CG1 4Å; F624-I632 HydrophobicContact CD1-CD1 3.93Å; F624-I632 HydrophobicContact CD1-CG1 3.94Å; F624-I632 HydrophobicContact CG-CG1 4.47Å; F624-I632 PolarHBondContact N-O 3.38Å; F624-I632 PolarHBondContact O-N 3.38Å; F624-V634 HydrophobicContact CB-CG2 4.45Å; F624-V637 HydrophobicContact CB-CG2 3.48Å; F624-V637 VanDerWaalsContact CB-CG2 3.48Å; F624-V637 HydrophobicContact CD1-CG2 3.91Å; F624-V637 HydrophobicContact CD2-CG2 3.96Å; F624-V637 HydrophobicContact CG-CG2 3.51Å; F624-D649 HydrophobicContact CD1-CB 4.3Å; F624-D649 HydrophobicContact CE1-CB 3.97Å
625	I	68.8	Low	62.8	Low	64 Å²	64	72.8 Å²	72.8	33%	0.328	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.4	-178.5	-57.7	174.8	0	0	0	107.9	V617	V617-I625 HydrophobicContact CG1-CD1 4.38Å
626	C	69.3	Low	64.4	Low	1 Å²	1	69.1 Å²	69.1	1%	0.007	42%	0.416	C	S	.	.			trans	-67.8	153.4	172	-48.7	0	0	0	0	110.4	A628 G629 R630 C644	C626-A628 PolarHBondContact O-N 2.92Å; C626-G629 PolarHBondContact O-N 3.5Å; C626-R630 HydrophobicContact CB-CB 4.26Å; C626-R630 WeakPolarHBondContact CB-O 3.45Å; C626-R630 PolarHBondContact N-O 2.95Å; C626-R630 PolarHBondContact SG-O 3.37Å; C626-C644 VanDerWaalsContact CA-SG 3.56Å; C626-C644 HydrophobicContact CB-CB 3.6Å; C626-C644 WeakPolarHBondContact CB-SG 3.38Å; C626-C644 WeakPolarHBondContact SG-CA 3.45Å; C626-C644 WeakPolarHBondContact SG-CB 3.15Å; C626-C644 CovalentContact SG-SG 2.03Å; C626-C644 PolarHBondContact SG-SG 2.84Å
627	F	63.5	Low	65.9	Low	93 Å²	93	64 Å²	64	41%	0.408	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.7	177.5	-59.3	-44.8	0	0	0	113.3	G629 L646 D648	F627-G629 PolarHBondContact O-N 2.93Å; F627-L646 HydrophobicContact CB-CD1 4.27Å; F627-D648 HydrophobicContact CD2-CB 3.77Å; F627-D648 WeakPolarHBondContact CD2-OD1 3.4Å; F627-D648 HydrophobicContact CE2-CB 3.81Å; F627-D648 HydrophobicContact CG-CB 4.4Å; F627-D648 HydrophobicContact CZ-CB 4.5Å; F627-D648 PolarHBondContact N-OD2 3.35Å
628	A	58.4	Low	67.8	Low	57 Å²	57	60.2 Å²	60.2	47%	0.471	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	17.7	171.4	0	0	0	0	0	114.6	C626 R630 P645 L646	C626-A628 PolarHBondContact O-N 2.92Å; A628-R630 PolarHBondContact O-N 2.88Å; A628-R630 VanDerWaalsContact O-N 3.12Å; A628-P645 HydrophobicContact CB-CB 4.17Å; A628-P645 HydrophobicContact CB-CG 4.05Å; A628-L646 HydrophobicContact CB-CD1 4.47Å
629	G	56.2	Low	69.9	Low	62 Å²	62	58 Å²	58	64%	0.639	35%	0.349	S	S	*	.	S	Bend	trans	71.5	-0.3	178.1	0	0	0	0	0	116.2	C626 F627	C626-G629 PolarHBondContact O-N 3.5Å; F627-G629 PolarHBondContact O-N 2.93Å
630	R	67.7	Low	71.9	Confident	134 Å²	134	55.7 Å²	55.7	51%	0.506	35%	0.346	S	S	.	.			trans	-76.6	130.9	177.2	-173.9	-172	-167.4	-174.4	11.9	110.3	C626 A628 D643	C626-R630 HydrophobicContact CB-CB 4.26Å; C626-R630 WeakPolarHBondContact CB-O 3.45Å; C626-R630 PolarHBondContact N-O 2.95Å; C626-R630 PolarHBondContact SG-O 3.37Å; A628-R630 PolarHBondContact O-N 2.88Å; A628-R630 VanDerWaalsContact O-N 3.12Å; R630-D643 PolarHBondContact NH1-O 2.75Å
631	A	72.8	Confident	74	Confident	54 Å²	54	57.6 Å²	57.6	45%	0.446	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	140.1	168.3	0	0	0	0	0	112	F624	F624-A631 CarbonylContact O-C 3.54Å; F624-A631 WeakPolarHBondContact O-CA 3.09Å
632	I	80.1	Confident	75.7	Confident	14 Å²	14	60.7 Å²	60.7	7%	0.072	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	161.8	169.8	67.9	172.5	0	0	0	109.8	A623 F624 K636 V637 D643 D649	A623-I632 CarbonylContact C-O 3.55Å; A623-I632 VanDerWaalsContact CA-O 3.32Å; A623-I632 WeakPolarHBondContact CA-O 3.46Å; F624-I632 HydrophobicContact CB-CG1 4Å; F624-I632 HydrophobicContact CD1-CD1 3.93Å; F624-I632 HydrophobicContact CD1-CG1 3.94Å; F624-I632 HydrophobicContact CG-CG1 4.47Å; F624-I632 PolarHBondContact N-O 3.38Å; F624-I632 PolarHBondContact O-N 3.38Å; I632-K636 HydrophobicContact CB-CD 4.1Å; I632-K636 HydrophobicContact CD1-CB 3.98Å; I632-V637 HydrophobicContact CD1-CG2 4.45Å; I632-D643 HydrophobicContact CD1-CB 4.02Å; I632-D643 HydrophobicContact CG2-CB 4.31Å; I632-D649 HydrophobicContact CD1-CB 3.68Å
633	D	82.6	Confident	76.9	Confident	76 Å²	76	57.8 Å²	57.8	41%	0.406	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.8	172.8	-160.8	-52.1	0	0	0	110.3	N622 D635 K636	N622-D633 CarbonylContact O-C 3.57Å; N622-D633 WeakPolarHBondContact O-CA 3.47Å; D633-D635 PolarHBondContact O-N 2.66Å; D633-D635 PolarHBondContact OD1-N 3.32Å; D633-K636 WeakPolarHBondContact O-CB 3.06Å; D633-K636 PolarHBondContact O-N 2.84Å; D633-K636 VanDerWaalsContact O-N 3.1Å
634	V	79.5	Confident	77.4	Confident	33 Å²	33	57.1 Å²	57.1	20%	0.2	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.8	-27	178.8	161.9	0	0	0	0	111.8	N622 F624 K636 V637 G682	N622-V634 VanDerWaalsContact C-CG2 3.49Å; N622-V634 WeakPolarHBondContact O-CG2 3.19Å; N622-V634 PolarHBondContact O-N 2.95Å; F624-V634 HydrophobicContact CB-CG2 4.45Å; V634-K636 PolarHBondContact O-N 2.92Å; V634-K636 VanDerWaalsContact O-N 3.15Å; V634-V637 PolarHBondContact O-N 2.83Å; V634-G682 WeakPolarHBondContact O-CA 3.42Å; V634-G682 PolarHBondContact O-N 2.74Å
635	D	84.3	Confident	77.5	Confident	92 Å²	92	60 Å²	60	49%	0.492	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-65	-14.1	176.7	86.2	-29.2	0	0	0	114.6	D633 N681	D633-D635 PolarHBondContact O-N 2.66Å; D633-D635 PolarHBondContact OD1-N 3.32Å; D635-N681 CarbonylContact O-C 3.51Å; D635-N681 VanDerWaalsContact O-CA 3.22Å; D635-N681 WeakPolarHBondContact O-CA 3.33Å
636	K	87.7	Confident	77.4	Confident	66 Å²	66	61.7 Å²	61.7	29%	0.287	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-88.7	-13.5	173.5	-66.7	164.9	162.7	-75.7	0	114.4	I632 D633 V634 C638 D643	I632-K636 HydrophobicContact CB-CD 4.1Å; I632-K636 HydrophobicContact CD1-CB 3.98Å; D633-K636 WeakPolarHBondContact O-CB 3.06Å; D633-K636 PolarHBondContact O-N 2.84Å; D633-K636 VanDerWaalsContact O-N 3.1Å; V634-K636 PolarHBondContact O-N 2.92Å; V634-K636 VanDerWaalsContact O-N 3.15Å; K636-C638 PolarHBondContact O-N 3.44Å; K636-D643 HydrophobicContact CB-CB 4.32Å; K636-D643 HydrophobicContact CD-CB 4.21Å; K636-D643 WeakPolarHBondContact CG-OD2 3.15Å; K636-D643 IonicContact NZ-OD1 3.38Å; K636-D643 PolarHBondContact NZ-OD1 2.7Å; K636-D643 IonicContact NZ-OD2 3.08Å; K636-D643 PolarHBondContact NZ-OD2 2.73Å
637	V	84.9	Confident	77.7	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	124.5	-179.2	-174.8	0	0	0	0	109.3	F624 I632 V634 D639 D649 N681 G682	F624-V637 HydrophobicContact CB-CG2 3.48Å; F624-V637 VanDerWaalsContact CB-CG2 3.48Å; F624-V637 HydrophobicContact CD1-CG2 3.91Å; F624-V637 HydrophobicContact CD2-CG2 3.96Å; F624-V637 HydrophobicContact CG-CG2 3.51Å; I632-V637 HydrophobicContact CD1-CG2 4.45Å; V634-V637 PolarHBondContact O-N 2.83Å; V637-D639 VanDerWaalsContact C-N 3.32Å; V637-D639 PolarHBondContact O-N 3.18Å; V637-D649 WeakPolarHBondContact CG1-O 3.09Å; V637-N681 PolarHBondContact O-N 2.94Å; V637-G682 PolarHBondContact O-N 3.41Å
638	C	85.4	Confident	78.4	Confident	8 Å²	8	57.8 Å²	57.8	5%	0.054	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	43.2	-174.5	-52.3	0	0	0	0	112.7	K636 D649 E650 C653 R679 R680 N681	K636-C638 PolarHBondContact O-N 3.44Å; C638-D649 PolarHBondContact N-O 3.19Å; C638-E650 VanDerWaalsContact C-OE1 3.31Å; C638-E650 WeakPolarHBondContact CA-OE1 3.47Å; C638-E650 PolarHBondContact N-OE1 2.99Å; C638-C653 HydrophobicContact CB-CB 3.73Å; C638-C653 WeakPolarHBondContact CB-SG 3.05Å; C638-C653 WeakPolarHBondContact SG-CA 3.45Å; C638-C653 WeakPolarHBondContact SG-CB 3.07Å; C638-C653 CovalentContact SG-SG 2.03Å; C638-C653 PolarHBondContact SG-SG 3.44Å; C638-R679 HydrophobicContact CB-CB 4.21Å; C638-R679 HydrophobicContact CB-CG 4.47Å; C638-R679 VanDerWaalsContact CB-O 3.28Å; C638-R679 WeakPolarHBondContact CB-O 3.02Å; C638-R680 CarbonylContact O-C 3.56Å; C638-R680 VanDerWaalsContact O-CA 3.26Å; C638-R680 WeakPolarHBondContact O-CA 3.3Å; C638-N681 PolarHBondContact O-N 3.48Å
639	D	88.2	Confident	79.4	Confident	41 Å²	41	55 Å²	55	22%	0.219	31%	0.311	C	S	.	.	S	Bend	trans	-87.1	-20.2	174	132.7	-60.5	0	0	0	112.1	V637 K641 E650	V637-D639 VanDerWaalsContact C-N 3.32Å; V637-D639 PolarHBondContact O-N 3.18Å; D639-K641 VanDerWaalsContact OD1-CB 3.3Å; D639-K641 WeakPolarHBondContact OD1-CB 3.11Å; D639-K641 WeakPolarHBondContact OD1-CG 3.49Å; D639-K641 PolarHBondContact OD1-N 2.82Å; D639-K641 VanDerWaalsContact OD1-N 3.14Å; D639-K641 IonicContact OD1-NZ 3.05Å; D639-K641 PolarHBondContact OD1-NZ 3.38Å; D639-K641 IonicContact OD2-NZ 3.61Å; D639-K641 PolarHBondContact OD2-NZ 2.85Å; D639-E650 PolarHBondContact N-OE1 3.18Å
640	G	84.2	Confident	80.7	Confident	59 Å²	59	54.9 Å²	54.9	61%	0.608	29%	0.294	S	S	*	.	S	Bend	trans	105.5	13.3	-174	0	0	0	0	0	114.3	E650	G640-E650 VanDerWaalsContact CA-OE2 3.24Å; G640-E650 WeakPolarHBondContact CA-OE2 3.46Å; G640-E650 VanDerWaalsContact N-CD 3.32Å; G640-E650 PolarHBondContact N-OE1 2.92Å; G640-E650 PolarHBondContact N-OE2 2.87Å
641	K	87.7	Confident	81	Confident	115 Å²	115	54.6 Å²	54.6	50%	0.5	29%	0.292	S	S	.	.	S	Bend	trans	-139.8	145.5	-178.8	-64.5	-174.3	-104.3	68	0	111.1	D639 D643 E650	D639-K641 VanDerWaalsContact OD1-CB 3.3Å; D639-K641 WeakPolarHBondContact OD1-CB 3.11Å; D639-K641 WeakPolarHBondContact OD1-CG 3.49Å; D639-K641 PolarHBondContact OD1-N 2.82Å; D639-K641 VanDerWaalsContact OD1-N 3.14Å; D639-K641 IonicContact OD1-NZ 3.05Å; D639-K641 PolarHBondContact OD1-NZ 3.38Å; D639-K641 IonicContact OD2-NZ 3.61Å; D639-K641 PolarHBondContact OD2-NZ 2.85Å; K641-D643 PolarHBondContact O-N 2.73Å; K641-E650 PolarHBondContact N-OE1 3.38Å; K641-E650 VanDerWaalsContact O-CG 3.28Å; K641-E650 WeakPolarHBondContact O-CG 3.18Å
642	K	87.7	Confident	80.9	Confident	167 Å²	167	55 Å²	55	73%	0.726	29%	0.285	S	S	*	.			trans	-81.1	91.7	172.4	-61.2	-179.7	-179.9	177.9	0	110.2
643	D	87.2	Confident	80.8	Confident	34 Å²	34	55.6 Å²	55.6	18%	0.182	29%	0.29	C	S	.	.			trans	-82	-24.3	165.6	-98.3	-69.7	0	0	0	111.5	R630 I632 K636 K641 D649	R630-D643 PolarHBondContact NH1-O 2.75Å; I632-D643 HydrophobicContact CD1-CB 4.02Å; I632-D643 HydrophobicContact CG2-CB 4.31Å; K636-D643 HydrophobicContact CB-CB 4.32Å; K636-D643 HydrophobicContact CD-CB 4.21Å; K636-D643 WeakPolarHBondContact CG-OD2 3.15Å; K636-D643 IonicContact NZ-OD1 3.38Å; K636-D643 PolarHBondContact NZ-OD1 2.7Å; K636-D643 IonicContact NZ-OD2 3.08Å; K636-D643 PolarHBondContact NZ-OD2 2.73Å; K641-D643 PolarHBondContact O-N 2.73Å; D643-D649 VanDerWaalsContact CA-OD2 3.24Å; D643-D649 WeakPolarHBondContact CA-OD2 3.42Å; D643-D649 VanDerWaalsContact CB-OD2 3.29Å; D643-D649 WeakPolarHBondContact CB-OD2 3.03Å; D643-D649 PolarHBondContact N-OD2 3.3Å
644	C	77.1	Confident	80.4	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.027	27%	0.272	C	S	.	.	S	Bend	trans	-82.3	141.7	169.6	-75.5	0	0	0	0	113.3	C626 L646 G647 D648 D649	C626-C644 VanDerWaalsContact CA-SG 3.56Å; C626-C644 HydrophobicContact CB-CB 3.6Å; C626-C644 WeakPolarHBondContact CB-SG 3.38Å; C626-C644 WeakPolarHBondContact SG-CA 3.45Å; C626-C644 WeakPolarHBondContact SG-CB 3.15Å; C626-C644 CovalentContact SG-SG 2.03Å; C626-C644 PolarHBondContact SG-SG 2.84Å; C644-L646 PolarHBondContact O-N 2.98Å; C644-L646 VanDerWaalsContact O-N 3.13Å; C644-G647 PolarHBondContact O-N 3.36Å; C644-D648 HydrophobicContact CB-CB 4.38Å; C644-D649 HydrophobicContact CB-CB 4.21Å; C644-D649 WeakPolarHBondContact CB-OD1 3.2Å; C644-D649 PolarHBondContact N-OD2 2.77Å
645	P	74	Confident	80	Confident	82 Å²	82	51.3 Å²	51.3	53%	0.532	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.5	-178.3	-26.6	36	0	0	0	115.4	A628	A628-P645 HydrophobicContact CB-CB 4.17Å; A628-P645 HydrophobicContact CB-CG 4.05Å
646	L	67.6	Low	79.3	Confident	100 Å²	100	47.8 Å²	47.8	52%	0.524	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	4.4	179.1	-58.3	172.6	0	0	0	112.7	F627 A628 C644 D648 R651	F627-L646 HydrophobicContact CB-CD1 4.27Å; A628-L646 HydrophobicContact CB-CD1 4.47Å; C644-L646 PolarHBondContact O-N 2.98Å; C644-L646 VanDerWaalsContact O-N 3.13Å; L646-D648 VanDerWaalsContact CB-OD1 3.23Å; L646-D648 WeakPolarHBondContact CB-OD1 3.1Å; L646-R651 PolarHBondContact O-NH2 2.03Å
647	G	75.3	Confident	78.6	Confident	5 Å²	5	44.8 Å²	44.8	5%	0.052	24%	0.236	C	C	.	.	S	Bend	trans	70.2	34.2	178.7	0	0	0	0	0	114.5	C644 D649	C644-G647 PolarHBondContact O-N 3.36Å; G647-D649 WeakPolarHBondContact CA-OD1 3.24Å
648	D	77.3	Confident	77.9	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.037	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-79	-29.9	-170.8	-39.5	-50.4	0	0	0	112.9	F627 C644 L646 E650 R651	F627-D648 HydrophobicContact CD2-CB 3.77Å; F627-D648 WeakPolarHBondContact CD2-OD1 3.4Å; F627-D648 HydrophobicContact CE2-CB 3.81Å; F627-D648 HydrophobicContact CG-CB 4.4Å; F627-D648 HydrophobicContact CZ-CB 4.5Å; F627-D648 PolarHBondContact N-OD2 3.35Å; C644-D648 HydrophobicContact CB-CB 4.38Å; L646-D648 VanDerWaalsContact CB-OD1 3.23Å; L646-D648 WeakPolarHBondContact CB-OD1 3.1Å; D648-E650 PolarHBondContact O-N 3.07Å; D648-R651 WeakPolarHBondContact O-CB 3.44Å; D648-R651 PolarHBondContact O-N 3Å; D648-R651 VanDerWaalsContact O-N 3.08Å; D648-R651 IonicContact OD1-NE 2.63Å; D648-R651 PolarHBondContact OD1-NE 3.24Å; D648-R651 IonicContact OD1-NH2 2.67Å
649	D	80.6	Confident	77.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-61.5	-21.4	171.8	51.8	-18.7	0	0	0	114.6	F624 I632 V637 C638 D643 C644 G647	F624-D649 HydrophobicContact CD1-CB 4.3Å; F624-D649 HydrophobicContact CE1-CB 3.97Å; I632-D649 HydrophobicContact CD1-CB 3.68Å; V637-D649 WeakPolarHBondContact CG1-O 3.09Å; C638-D649 PolarHBondContact N-O 3.19Å; D643-D649 VanDerWaalsContact CA-OD2 3.24Å; D643-D649 WeakPolarHBondContact CA-OD2 3.42Å; D643-D649 VanDerWaalsContact CB-OD2 3.29Å; D643-D649 WeakPolarHBondContact CB-OD2 3.03Å; D643-D649 PolarHBondContact N-OD2 3.3Å; C644-D649 HydrophobicContact CB-CB 4.21Å; C644-D649 WeakPolarHBondContact CB-OD1 3.2Å; C644-D649 PolarHBondContact N-OD2 2.77Å; G647-D649 WeakPolarHBondContact CA-OD1 3.24Å
650	E	82.2	Confident	75.8	Confident	59 Å²	59	55 Å²	55	28%	0.276	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-103.8	13	174.8	-66.9	-67.6	134.7	0	0	112.5	C638 D639 G640 K641 D648	C638-E650 VanDerWaalsContact C-OE1 3.31Å; C638-E650 WeakPolarHBondContact CA-OE1 3.47Å; C638-E650 PolarHBondContact N-OE1 2.99Å; D639-E650 PolarHBondContact N-OE1 3.18Å; G640-E650 VanDerWaalsContact CA-OE2 3.24Å; G640-E650 WeakPolarHBondContact CA-OE2 3.46Å; G640-E650 VanDerWaalsContact N-CD 3.32Å; G640-E650 PolarHBondContact N-OE1 2.92Å; G640-E650 PolarHBondContact N-OE2 2.87Å; K641-E650 PolarHBondContact N-OE1 3.38Å; K641-E650 VanDerWaalsContact O-CG 3.28Å; K641-E650 WeakPolarHBondContact O-CG 3.18Å; D648-E650 PolarHBondContact O-N 3.07Å
651	R	74.8	Confident	74.9	Confident	127 Å²	127	57.7 Å²	57.7	48%	0.479	31%	0.308	S	S	.	.	S	Bend	trans	-97.2	157.8	172.1	-55.4	176.5	-168.3	-97.6	-2.8	110.7	L646 D648 C653	L646-R651 PolarHBondContact O-NH2 2.03Å; D648-R651 WeakPolarHBondContact O-CB 3.44Å; D648-R651 PolarHBondContact O-N 3Å; D648-R651 VanDerWaalsContact O-N 3.08Å; D648-R651 IonicContact OD1-NE 2.63Å; D648-R651 PolarHBondContact OD1-NE 3.24Å; D648-R651 IonicContact OD1-NH2 2.67Å; R651-C653 PolarHBondContact O-N 2.92Å
652	H	70.5	Confident	73.7	Confident	62 Å²	62	55 Å²	55	29%	0.287	30%	0.297	S	S	.	.	S	Bend	trans	53.6	25	173.4	-56.1	-71	0	0	0	115.9	A654 W668	H652-A654 PolarHBondContact O-N 3.41Å; H652-W668 AromaticContact CD2-CH2 3.9Å; H652-W668 AromaticContact CD2-CZ2 3.87Å; H652-W668 AromaticContact CE1-CH2 3.29Å; H652-W668 WeakPolarHBondContact CE1-CH2 3.33Å; H652-W668 AromaticContact CE1-CZ3 3.71Å; H652-W668 AromaticContact CG-CH2 3.78Å; H652-W668 AromaticContact CG-CZ2 3.93Å; H652-W668 AromaticContact ND1-CH2 3.38Å; H652-W668 WeakPolarHBondContact ND1-CH2 3.36Å; H652-W668 AromaticContact ND1-CZ3 3.41Å; H652-W668 WeakPolarHBondContact ND1-CZ3 3.49Å; H652-W668 AromaticContact NE2-CH2 3.65Å; H652-W668 AromaticContact NE2-CZ2 3.99Å
653	C	77.7	Confident	72.6	Confident	27 Å²	27	51.6 Å²	51.6	18%	0.182	29%	0.287	C	S	.	.			trans	-64.5	6.7	177.6	-60.2	0	0	0	0	115.4	C638 R651 F678 R679	C638-C653 HydrophobicContact CB-CB 3.73Å; C638-C653 WeakPolarHBondContact CB-SG 3.05Å; C638-C653 WeakPolarHBondContact SG-CA 3.45Å; C638-C653 WeakPolarHBondContact SG-CB 3.07Å; C638-C653 CovalentContact SG-SG 2.03Å; C638-C653 PolarHBondContact SG-SG 3.44Å; R651-C653 PolarHBondContact O-N 2.92Å; C653-F678 CarbonylContact O-C 2.91Å; C653-F678 WeakPolarHBondContact O-CA 3.24Å; C653-R679 PolarHBondContact O-N 3.29Å
654	A	74.3	Confident	71.4	Confident	4 Å²	4	52 Å²	52	3%	0.033	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	132.8	176.1	0	0	0	0	0	111.8	H652 Y677 F678 V704 N708	H652-A654 PolarHBondContact O-N 3.41Å; A654-Y677 CarbonylContact C-O 3.43Å; A654-Y677 VanDerWaalsContact CA-O 3.27Å; A654-Y677 WeakPolarHBondContact CA-O 3.31Å; A654-F678 HydrophobicContact CB-CD1 3.53Å; A654-F678 HydrophobicContact CB-CE1 3.44Å; A654-F678 VanDerWaalsContact CB-CE1 3.44Å; A654-F678 HydrophobicContact CB-CG 4.41Å; A654-F678 HydrophobicContact CB-CZ 4.27Å; A654-V704 HydrophobicContact CB-CG2 4.01Å; A654-N708 PolarHBondContact O-ND2 3.41Å
655	T	72.4	Confident	70.5	Confident	15 Å²	15	56 Å²	56	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167.1	-177.8	-166.3	0	0	0	0	112.5	V657 V676 Y677 W684	T655-V657 HydrophobicContact CG2-CG2 3.91Å; T655-V676 WeakPolarHBondContact O-CA 3.15Å; T655-Y677 PolarHBondContact N-O 3.29Å; T655-Y677 PolarHBondContact O-N 2.84Å; T655-W684 HydrophobicContact CG2-CE3 4.36Å; T655-W684 HydrophobicContact CG2-CH2 3.73Å; T655-W684 HydrophobicContact CG2-CZ3 3.64Å
656	L	69.6	Low	69.5	Low	18 Å²	18	58.5 Å²	58.5	9%	0.094	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.5	176.8	-75.1	170	0	0	0	109.8	R671 V676 V704	L656-R671 HydrophobicContact CB-CB 4Å; L656-R671 WeakPolarHBondContact CD1-O 2.98Å; L656-R671 VanDerWaalsContact O-CD 3.23Å; L656-R671 WeakPolarHBondContact O-CD 3.49Å; L656-R671 WeakPolarHBondContact O-CG 3.37Å; L656-V676 HydrophobicContact CD2-CG2 3.7Å; L656-V704 HydrophobicContact CD1-CG1 4.46Å; L656-V704 HydrophobicContact CD2-CG1 4.35Å; L656-V704 HydrophobicContact CG-CG1 3.97Å
657	V	72.2	Confident	68.5	Low	4 Å²	4	57 Å²	57	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.2	-171	-175.9	0	0	0	0	109.6	T655 N659 E662 L664 G674 T675 Y677	T655-V657 HydrophobicContact CG2-CG2 3.91Å; V657-N659 VanDerWaalsContact CG1-O 3.29Å; V657-N659 WeakPolarHBondContact CG1-O 3.36Å; V657-E662 HydrophobicContact CG1-CB 4.06Å; V657-L664 HydrophobicContact CB-CD2 4.33Å; V657-L664 HydrophobicContact CG1-CD2 3.87Å; V657-L664 HydrophobicContact CG2-CD2 3.44Å; V657-L664 VanDerWaalsContact CG2-CD2 3.44Å; V657-G674 CarbonylContact O-C 3.59Å; V657-G674 VanDerWaalsContact O-CA 3.29Å; V657-G674 WeakPolarHBondContact O-CA 3.29Å; V657-T675 PolarHBondContact N-O 3.41Å; V657-T675 PolarHBondContact O-N 3.48Å; V657-Y677 HydrophobicContact CB-CD2 3.67Å; V657-Y677 HydrophobicContact CB-CE2 3.8Å; V657-Y677 HydrophobicContact CG1-CD2 4.43Å; V657-Y677 HydrophobicContact CG1-CE2 4.16Å; V657-Y677 HydrophobicContact CG2-CD2 3.34Å; V657-Y677 HydrophobicContact CG2-CE2 3.92Å; V657-Y677 HydrophobicContact CG2-CG 3.8Å
658	A	69.3	Low	67.3	Low	68 Å²	68	59 Å²	59	56%	0.562	30%	0.302	S	S	*	.	S	Bend	trans	-76.7	-32.3	-175.9	0	0	0	0	0	112.2	E662	A658-E662 WeakPolarHBondContact CB-OE1 3.44Å; A658-E662 PolarHBondContact N-OE1 2.89Å; A658-E662 VanDerWaalsContact N-OE1 3.14Å
659	N	68.8	Low	65.9	Low	85 Å²	85	62.7 Å²	62.7	46%	0.455	32%	0.319	S	S	.	.	S	Bend	trans	-142.4	135.5	-174.1	-178.4	14.2	0	0	0	111.7	V657 T661 E662	V657-N659 VanDerWaalsContact CG1-O 3.29Å; V657-N659 WeakPolarHBondContact CG1-O 3.36Å; N659-T661 PolarHBondContact ND2-OG1 2.61Å; N659-T661 PolarHBondContact O-N 3.48Å; N659-E662 WeakPolarHBondContact CA-OE1 3.01Å; N659-E662 WeakPolarHBondContact CB-OE1 3.28Å; N659-E662 PolarHBondContact N-OE1 2.92Å; N659-E662 PolarHBondContact O-N 3Å
660	V	62	Low	64.5	Low	113 Å²	113	67.6 Å²	67.6	69%	0.685	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.2	-176.3	-165.4	0	0	0	0	113.4
661	T	65.5	Low	63.4	Low	116 Å²	116	67.8 Å²	67.8	71%	0.712	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	6.6	176.9	70.1	0	0	0	0	114.2	N659	N659-T661 PolarHBondContact ND2-OG1 2.61Å; N659-T661 PolarHBondContact O-N 3.48Å
662	E	62.4	Low	62.5	Low	59 Å²	59	64.2 Å²	64.2	28%	0.276	33%	0.329	S	S	.	.	S	Bend	trans	-69.7	139.2	170.1	-75.1	163.1	-118.4	0	0	110.3	V657 A658 N659 L664 R671	V657-E662 HydrophobicContact CG1-CB 4.06Å; A658-E662 WeakPolarHBondContact CB-OE1 3.44Å; A658-E662 PolarHBondContact N-OE1 2.89Å; A658-E662 VanDerWaalsContact N-OE1 3.14Å; N659-E662 WeakPolarHBondContact CA-OE1 3.01Å; N659-E662 WeakPolarHBondContact CB-OE1 3.28Å; N659-E662 PolarHBondContact N-OE1 2.92Å; N659-E662 PolarHBondContact O-N 3Å; E662-L664 HydrophobicContact CB-CD2 4.37Å; E662-L664 PolarHBondContact O-N 3.04Å; E662-R671 IonicContact OE1-NH2 3.59Å; E662-R671 IonicContact OE2-CZ 2.73Å; E662-R671 IonicContact OE2-NE 2.68Å; E662-R671 PolarHBondContact OE2-NE 3.34Å; E662-R671 IonicContact OE2-NH2 3.5Å; E662-R671 PolarHBondContact OE2-NH2 3.24Å
663	D	63.6	Low	62	Low	95 Å²	95	65 Å²	65	51%	0.508	34%	0.338	S	S	.	.			trans	-84.1	94.9	178.1	-175.2	1	0	0	0	109.6	N665 R666	D663-N665 PolarHBondContact O-N 3.07Å; D663-N665 PolarHBondContact OD1-N 3.4Å; D663-R666 HydrophobicContact CB-CB 4.16Å; D663-R666 WeakPolarHBondContact O-CA 3.46Å; D663-R666 PolarHBondContact O-N 2.71Å
664	L	62.8	Low	61.6	Low	41 Å²	41	65.6 Å²	65.6	22%	0.215	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12	-171.8	-54.1	177.9	0	0	0	114	V657 E662 Y677 W684	V657-L664 HydrophobicContact CB-CD2 4.33Å; V657-L664 HydrophobicContact CG1-CD2 3.87Å; V657-L664 HydrophobicContact CG2-CD2 3.44Å; V657-L664 VanDerWaalsContact CG2-CD2 3.44Å; E662-L664 HydrophobicContact CB-CD2 4.37Å; E662-L664 PolarHBondContact O-N 3.04Å; L664-Y677 HydrophobicContact CD1-CD1 3.24Å; L664-Y677 HydrophobicContact CD1-CE1 3.48Å; L664-Y677 VanDerWaalsContact CD1-CE1 3.48Å; L664-Y677 HydrophobicContact CD1-CG 3.85Å; L664-W684 HydrophobicContact CB-CB 3.97Å; L664-W684 VanDerWaalsContact CB-CD1 3.48Å; L664-W684 HydrophobicContact CB-CD2 4.03Å; L664-W684 HydrophobicContact CB-CG 3.57Å; L664-W684 HydrophobicContact CD1-CB 3.67Å; L664-W684 HydrophobicContact CD1-CG 4.08Å; L664-W684 HydrophobicContact CG-CB 4.48Å; L664-W684 HydrophobicContact CG-CG 4.48Å; L664-W684 PolarHBondContact O-NE1 2.04Å
665	N	57.3	Low	61.4	Low	90 Å²	90	68.8 Å²	68.8	48%	0.481	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	7.7	171.5	-61.6	-45.2	0	0	0	112.7	D663	D663-N665 PolarHBondContact O-N 3.07Å; D663-N665 PolarHBondContact OD1-N 3.4Å
666	R	54.1	Low	61.3	Low	133 Å²	133	69 Å²	69	50%	0.502	37%	0.37	S	S	.	.	S	Bend	trans	-144.9	103.1	-168.9	-154.8	-174.6	-175.8	155.6	8.8	112.2	D663	D663-R666 HydrophobicContact CB-CB 4.16Å; D663-R666 WeakPolarHBondContact O-CA 3.46Å; D663-R666 PolarHBondContact O-N 2.71Å
667	Y	45.5	Very low	61.6	Low	69 Å²	69	69.2 Å²	69.2	27%	0.271	37%	0.37	S	S	.	.			trans	65.9	118.8	177.8	-35.4	-51.1	0	0	0	114.4	E611	E611-Y667 HydrophobicContact CB-CD1 3.72Å; E611-Y667 HydrophobicContact CB-CE1 3.53Å; E611-Y667 HydrophobicContact CG-CD1 3.95Å; E611-Y667 HydrophobicContact CG-CE1 4.13Å; E611-Y667 VanDerWaalsContact O-CE1 3.3Å; E611-Y667 WeakPolarHBondContact O-CE1 3.43Å; E611-Y667 VanDerWaalsContact O-CZ 3.32Å; E611-Y667 PolarHBondContact O-OH 3.43Å; E611-Y667 WeakPolarHBondContact OE2-CD1 3.48Å; E611-Y667 WeakPolarHBondContact OE2-CE1 3.33Å
668	W	49.8	Very low	61.7	Low	48 Å²	48	72.2 Å²	72.2	18%	0.182	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-98.1	100.1	173.2	59.8	-75.8	0	0	0	110.9	Q601 V602 H652 F670	Q601-W668 PolarHBondContact O-NE1 2.9Å; V602-W668 HydrophobicContact CB-CZ2 4.26Å; V602-W668 HydrophobicContact CG1-CZ2 3.73Å; V602-W668 HydrophobicContact CG2-CZ2 3.81Å; H652-W668 AromaticContact CD2-CH2 3.9Å; H652-W668 AromaticContact CD2-CZ2 3.87Å; H652-W668 AromaticContact CE1-CH2 3.29Å; H652-W668 WeakPolarHBondContact CE1-CH2 3.33Å; H652-W668 AromaticContact CE1-CZ3 3.71Å; H652-W668 AromaticContact CG-CH2 3.78Å; H652-W668 AromaticContact CG-CZ2 3.93Å; H652-W668 AromaticContact ND1-CH2 3.38Å; H652-W668 WeakPolarHBondContact ND1-CH2 3.36Å; H652-W668 AromaticContact ND1-CZ3 3.41Å; H652-W668 WeakPolarHBondContact ND1-CZ3 3.49Å; H652-W668 AromaticContact NE2-CH2 3.65Å; H652-W668 AromaticContact NE2-CZ2 3.99Å; W668-F670 HydrophobicContact CE3-CD2 4.42Å; W668-F670 HydrophobicContact CE3-CE2 4.2Å; W668-F670 AromaticContact CH2-CE2 3.66Å; W668-F670 HydrophobicContact CH2-CE2 3.66Å; W668-F670 AromaticContact CH2-CZ 3.75Å; W668-F670 HydrophobicContact CH2-CZ 3.75Å; W668-F670 AromaticContact CZ3-CD2 3.96Å; W668-F670 HydrophobicContact CZ3-CD2 3.96Å; W668-F670 HydrophobicContact CZ3-CE1 4.04Å; W668-F670 AromaticContact CZ3-CE2 3.34Å; W668-F670 HydrophobicContact CZ3-CE2 3.34Å; W668-F670 AromaticContact CZ3-CZ 3.4Å; W668-F670 HydrophobicContact CZ3-CZ 3.4Å; W668-F670 VanDerWaalsContact CZ3-CZ 3.4Å
669	E	49.6	Very low	62.1	Low	83 Å²	83	70.2 Å²	70.2	39%	0.388	36%	0.361	S	S	.	.			trans	-73.8	130.2	170.2	-68.5	-177.2	171	0	0	110.3	R671	E669-R671 PolarHBondContact O-N 2.97Å; E669-R671 IonicContact OE2-CZ 2.66Å; E669-R671 IonicContact OE2-NH1 2.74Å; E669-R671 PolarHBondContact OE2-NH1 3.33Å; E669-R671 IonicContact OE2-NH2 3.1Å; E669-R671 PolarHBondContact OE2-NH2 3.47Å
670	F	50.4	Low	62.6	Low	103 Å²	103	74.4 Å²	74.4	45%	0.452	37%	0.37	S	S	.	.			trans	-63.4	97	168.8	-85.8	-89	0	0	0	110.5	W668 N708 L709	W668-F670 HydrophobicContact CE3-CD2 4.42Å; W668-F670 HydrophobicContact CE3-CE2 4.2Å; W668-F670 AromaticContact CH2-CE2 3.66Å; W668-F670 HydrophobicContact CH2-CE2 3.66Å; W668-F670 AromaticContact CH2-CZ 3.75Å; W668-F670 HydrophobicContact CH2-CZ 3.75Å; W668-F670 AromaticContact CZ3-CD2 3.96Å; W668-F670 HydrophobicContact CZ3-CD2 3.96Å; W668-F670 HydrophobicContact CZ3-CE1 4.04Å; W668-F670 AromaticContact CZ3-CE2 3.34Å; W668-F670 HydrophobicContact CZ3-CE2 3.34Å; W668-F670 AromaticContact CZ3-CZ 3.4Å; W668-F670 HydrophobicContact CZ3-CZ 3.4Å; W668-F670 VanDerWaalsContact CZ3-CZ 3.4Å; F670-N708 HydrophobicContact CD1-CB 4.34Å; F670-N708 HydrophobicContact CE1-CB 4.28Å; F670-L709 HydrophobicContact CZ-CD1 4.5Å
671	R	59.3	Low	63.6	Low	63 Å²	63	72.4 Å²	72.4	24%	0.238	36%	0.355	C	S	.	.			trans	-94.8	142	172	-52.2	-156.5	-174.7	-61.8	-6.8	111.4	L656 E662 E669 T673	L656-R671 HydrophobicContact CB-CB 4Å; L656-R671 WeakPolarHBondContact CD1-O 2.98Å; L656-R671 VanDerWaalsContact O-CD 3.23Å; L656-R671 WeakPolarHBondContact O-CD 3.49Å; L656-R671 WeakPolarHBondContact O-CG 3.37Å; E662-R671 IonicContact OE1-NH2 3.59Å; E662-R671 IonicContact OE2-CZ 2.73Å; E662-R671 IonicContact OE2-NE 2.68Å; E662-R671 PolarHBondContact OE2-NE 3.34Å; E662-R671 IonicContact OE2-NH2 3.5Å; E662-R671 PolarHBondContact OE2-NH2 3.24Å; E669-R671 PolarHBondContact O-N 2.97Å; E669-R671 IonicContact OE2-CZ 2.66Å; E669-R671 IonicContact OE2-NH1 2.74Å; E669-R671 PolarHBondContact OE2-NH1 3.33Å; E669-R671 IonicContact OE2-NH2 3.1Å; E669-R671 PolarHBondContact OE2-NH2 3.47Å; R671-T673 WeakPolarHBondContact CB-O 3.36Å
672	D	54.8	Low	64.1	Low	52 Å²	52	67 Å²	67	28%	0.278	32%	0.324	S	S	.	.	S	Bend	trans	-82.1	-20.8	165	62.4	0.3	0	0	0	112.3	I716	D672-I716 HydrophobicContact CB-CG1 4.4Å; D672-I716 HydrophobicContact CB-CG2 4.28Å; D672-I716 WeakPolarHBondContact O-CD1 3.45Å; D672-I716 VanDerWaalsContact O-CG1 3.27Å; D672-I716 WeakPolarHBondContact O-CG1 3.46Å; D672-I716 WeakPolarHBondContact O-CG2 3.15Å
673	T	60.2	Low	64.9	Low	78 Å²	78	69.1 Å²	69.1	48%	0.479	34%	0.34	S	S	.	.	S	Bend	trans	-139.8	141.9	-169	46.4	0	0	0	0	111.8	R671 I716	R671-T673 WeakPolarHBondContact CB-O 3.36Å; T673-I716 HydrophobicContact CG2-CG2 3.78Å
674	G	70.8	Confident	65.6	Low	41 Å²	41	66.7 Å²	66.7	42%	0.423	32%	0.324	S	S	.	.	S	Bend	trans	157.4	-180	178.9	0	0	0	0	0	114	V657	V657-G674 CarbonylContact O-C 3.59Å; V657-G674 VanDerWaalsContact O-CA 3.29Å; V657-G674 WeakPolarHBondContact O-CA 3.29Å
675	T	69.3	Low	65.9	Low	70 Å²	70	67.2 Å²	67.2	43%	0.429	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.7	165.3	-58.3	0	0	0	0	108.8	V657 Y677 P686	V657-T675 PolarHBondContact N-O 3.41Å; V657-T675 PolarHBondContact O-N 3.48Å; T675-Y677 HydrophobicContact CG2-CD2 4.06Å; T675-Y677 HydrophobicContact CG2-CE2 3.74Å; T675-Y677 PolarHBondContact O-N 2.79Å; T675-P686 HydrophobicContact CG2-CB 4.41Å
676	V	70.1	Confident	66.6	Low	21 Å²	21	65.9 Å²	65.9	13%	0.127	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.6	172.6	174.5	0	0	0	0	110	T655 L656 F678 A687 T700 V704	T655-V676 WeakPolarHBondContact O-CA 3.15Å; L656-V676 HydrophobicContact CD2-CG2 3.7Å; V676-F678 HydrophobicContact CG1-CD2 3.99Å; V676-F678 HydrophobicContact CG1-CE2 3.5Å; V676-F678 VanDerWaalsContact CG1-CE2 3.5Å; V676-F678 HydrophobicContact CG1-CZ 3.98Å; V676-A687 HydrophobicContact CB-CB 3.84Å; V676-A687 HydrophobicContact CG1-CB 3.76Å; V676-A687 PolarHBondContact O-N 3.48Å; V676-T700 HydrophobicContact CG1-CG2 4.22Å; V676-V704 HydrophobicContact CB-CG2 4.4Å; V676-V704 HydrophobicContact CG1-CG2 3.48Å; V676-V704 VanDerWaalsContact CG1-CG2 3.48Å; V676-V704 HydrophobicContact CG2-CB 4.46Å; V676-V704 HydrophobicContact CG2-CG1 4.43Å; V676-V704 HydrophobicContact CG2-CG2 3.99Å
677	Y	76	Confident	67.2	Low	22 Å²	22	61.1 Å²	61.1	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.2	166.4	-80.9	-111.6	0	0	0	110.3	A654 T655 V657 L664 T675 A685 P686	A654-Y677 CarbonylContact C-O 3.43Å; A654-Y677 VanDerWaalsContact CA-O 3.27Å; A654-Y677 WeakPolarHBondContact CA-O 3.31Å; T655-Y677 PolarHBondContact N-O 3.29Å; T655-Y677 PolarHBondContact O-N 2.84Å; V657-Y677 HydrophobicContact CB-CD2 3.67Å; V657-Y677 HydrophobicContact CB-CE2 3.8Å; V657-Y677 HydrophobicContact CG1-CD2 4.43Å; V657-Y677 HydrophobicContact CG1-CE2 4.16Å; V657-Y677 HydrophobicContact CG2-CD2 3.34Å; V657-Y677 HydrophobicContact CG2-CE2 3.92Å; V657-Y677 HydrophobicContact CG2-CG 3.8Å; L664-Y677 HydrophobicContact CD1-CD1 3.24Å; L664-Y677 HydrophobicContact CD1-CE1 3.48Å; L664-Y677 VanDerWaalsContact CD1-CE1 3.48Å; L664-Y677 HydrophobicContact CD1-CG 3.85Å; T675-Y677 HydrophobicContact CG2-CD2 4.06Å; T675-Y677 HydrophobicContact CG2-CE2 3.74Å; T675-Y677 PolarHBondContact O-N 2.79Å; Y677-A685 WeakPolarHBondContact CA-O 3.44Å; Y677-A685 VanDerWaalsContact CD1-C 3.46Å; Y677-P686 HydrophobicContact CD1-CB 4.16Å; Y677-P686 HydrophobicContact CD2-CB 4.35Å; Y677-P686 HydrophobicContact CE1-CB 3.88Å; Y677-P686 HydrophobicContact CE1-CG 4.21Å; Y677-P686 HydrophobicContact CE2-CB 4.06Å; Y677-P686 HydrophobicContact CG-CB 4.42Å
678	F	73.5	Confident	67.7	Low	67 Å²	67	63.9 Å²	63.9	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.1	173.5	-74.7	-80.4	0	0	0	110.1	C653 A654 V676 W684 A685 A687 T700 V704	C653-F678 CarbonylContact O-C 2.91Å; C653-F678 WeakPolarHBondContact O-CA 3.24Å; A654-F678 HydrophobicContact CB-CD1 3.53Å; A654-F678 HydrophobicContact CB-CE1 3.44Å; A654-F678 VanDerWaalsContact CB-CE1 3.44Å; A654-F678 HydrophobicContact CB-CG 4.41Å; A654-F678 HydrophobicContact CB-CZ 4.27Å; V676-F678 HydrophobicContact CG1-CD2 3.99Å; V676-F678 HydrophobicContact CG1-CE2 3.5Å; V676-F678 VanDerWaalsContact CG1-CE2 3.5Å; V676-F678 HydrophobicContact CG1-CZ 3.98Å; F678-W684 CarbonylContact O-C 3.46Å; F678-W684 WeakPolarHBondContact O-CA 3.24Å; F678-A685 PolarHBondContact N-O 2.92Å; F678-A685 PolarHBondContact O-N 2.87Å; F678-A687 HydrophobicContact CD2-CB 4Å; F678-A687 HydrophobicContact CE2-CB 3.83Å; F678-T700 HydrophobicContact CE2-CG2 3.69Å; F678-T700 HydrophobicContact CZ-CG2 3.8Å; F678-V704 HydrophobicContact CE1-CG2 4.48Å; F678-V704 HydrophobicContact CZ-CG2 4.04Å
679	R	78.1	Confident	67.9	Low	26 Å²	26	64 Å²	64	10%	0.098	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137	167	-158.8	177.2	-166.9	172.4	4.2	108.3	C638 C653 G682 V683 W684	C638-R679 HydrophobicContact CB-CB 4.21Å; C638-R679 HydrophobicContact CB-CG 4.47Å; C638-R679 VanDerWaalsContact CB-O 3.28Å; C638-R679 WeakPolarHBondContact CB-O 3.02Å; C653-R679 PolarHBondContact O-N 3.29Å; R679-G682 PolarHBondContact NE-O 2.87Å; R679-V683 CarbonylContact C-O 3.5Å; R679-V683 WeakPolarHBondContact CA-O 3.29Å; R679-W684 HydrophobicContact CB-CD2 3.7Å; R679-W684 HydrophobicContact CB-CE3 3.72Å; R679-W684 HydrophobicContact CB-CG 4.4Å; R679-W684 HydrophobicContact CB-CH2 3.9Å; R679-W684 HydrophobicContact CB-CZ2 3.89Å; R679-W684 HydrophobicContact CB-CZ3 3.81Å; R679-W684 HydrophobicContact CG-CD2 3.96Å; R679-W684 HydrophobicContact CG-CE3 4.48Å; R679-W684 HydrophobicContact CG-CG 4.25Å; R679-W684 HydrophobicContact CG-CZ2 4.24Å; R679-W684 VanDerWaalsContact N-CE3 3.28Å
680	R	80.1	Confident	67.9	Low	173 Å²	173	67 Å²	67	65%	0.653	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	129.2	172.8	-176.3	169.7	-173	160.8	11.6	111.1	C638 G682 V683	C638-R680 CarbonylContact O-C 3.56Å; C638-R680 VanDerWaalsContact O-CA 3.26Å; C638-R680 WeakPolarHBondContact O-CA 3.3Å; R680-G682 PolarHBondContact O-N 2.04Å; R680-V683 PolarHBondContact N-O 3.31Å; R680-V683 PolarHBondContact O-N 2.79Å
681	N	82.9	Confident	67.9	Low	70 Å²	70	67.1 Å²	67.1	37%	0.374	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	48.9	-174.8	-65	82.4	0	0	0	111	D635 V637 C638 V683	D635-N681 CarbonylContact O-C 3.51Å; D635-N681 VanDerWaalsContact O-CA 3.22Å; D635-N681 WeakPolarHBondContact O-CA 3.33Å; V637-N681 PolarHBondContact O-N 2.94Å; C638-N681 PolarHBondContact O-N 3.48Å; N681-V683 PolarHBondContact O-N 2.88Å; N681-V683 VanDerWaalsContact O-N 3.07Å
682	G	75.9	Confident	67.4	Low	4 Å²	4	71.7 Å²	71.7	4%	0.041	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	-25.1	-174.8	0	0	0	0	0	116.4	V634 V637 R679 R680	V634-G682 WeakPolarHBondContact O-CA 3.42Å; V634-G682 PolarHBondContact O-N 2.74Å; V637-G682 PolarHBondContact O-N 3.41Å; R679-G682 PolarHBondContact NE-O 2.87Å; R680-G682 PolarHBondContact O-N 2.04Å
683	V	79.8	Confident	67.3	Low	103 Å²	103	72.9 Å²	72.9	62%	0.624	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.8	-168.6	-179.1	0	0	0	0	112.4	R679 R680 N681	R679-V683 CarbonylContact C-O 3.5Å; R679-V683 WeakPolarHBondContact CA-O 3.29Å; R680-V683 PolarHBondContact N-O 3.31Å; R680-V683 PolarHBondContact O-N 2.79Å; N681-V683 PolarHBondContact O-N 2.88Å; N681-V683 VanDerWaalsContact O-N 3.07Å
684	W	77.1	Confident	67.2	Low	44 Å²	44	72.8 Å²	72.8	17%	0.167	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.1	172.5	-70.3	101.2	0	0	0	113.3	T655 L664 F678 R679	T655-W684 HydrophobicContact CG2-CE3 4.36Å; T655-W684 HydrophobicContact CG2-CH2 3.73Å; T655-W684 HydrophobicContact CG2-CZ3 3.64Å; L664-W684 HydrophobicContact CB-CB 3.97Å; L664-W684 VanDerWaalsContact CB-CD1 3.48Å; L664-W684 HydrophobicContact CB-CD2 4.03Å; L664-W684 HydrophobicContact CB-CG 3.57Å; L664-W684 HydrophobicContact CD1-CB 3.67Å; L664-W684 HydrophobicContact CD1-CG 4.08Å; L664-W684 HydrophobicContact CG-CB 4.48Å; L664-W684 HydrophobicContact CG-CG 4.48Å; L664-W684 PolarHBondContact O-NE1 2.04Å; F678-W684 CarbonylContact O-C 3.46Å; F678-W684 WeakPolarHBondContact O-CA 3.24Å; R679-W684 HydrophobicContact CB-CD2 3.7Å; R679-W684 HydrophobicContact CB-CE3 3.72Å; R679-W684 HydrophobicContact CB-CG 4.4Å; R679-W684 HydrophobicContact CB-CH2 3.9Å; R679-W684 HydrophobicContact CB-CZ2 3.89Å; R679-W684 HydrophobicContact CB-CZ3 3.81Å; R679-W684 HydrophobicContact CG-CD2 3.96Å; R679-W684 HydrophobicContact CG-CE3 4.48Å; R679-W684 HydrophobicContact CG-CG 4.25Å; R679-W684 HydrophobicContact CG-CZ2 4.24Å; R679-W684 VanDerWaalsContact N-CE3 3.28Å
685	A	69.9	Low	66.7	Low	51 Å²	51	78.3 Å²	78.3	42%	0.421	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	144.7	174.3	0	0	0	0	0	112.2	Y677 F678	Y677-A685 WeakPolarHBondContact CA-O 3.44Å; Y677-A685 VanDerWaalsContact CD1-C 3.46Å; F678-A685 PolarHBondContact N-O 2.92Å; F678-A685 PolarHBondContact O-N 2.87Å
686	P	72.6	Confident	66.1	Low	62 Å²	62	78 Å²	78	40%	0.403	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	146.5	177.5	29.4	-34.4	0	0	0	112	T675 Y677 C688	T675-P686 HydrophobicContact CG2-CB 4.41Å; Y677-P686 HydrophobicContact CD1-CB 4.16Å; Y677-P686 HydrophobicContact CD2-CB 4.35Å; Y677-P686 HydrophobicContact CE1-CB 3.88Å; Y677-P686 HydrophobicContact CE1-CG 4.21Å; Y677-P686 HydrophobicContact CE2-CB 4.06Å; Y677-P686 HydrophobicContact CG-CB 4.42Å; P686-C688 PolarHBondContact O-N 2.94Å
687	A	64.8	Low	65.5	Low	34 Å²	34	81.2 Å²	81.2	28%	0.281	46%	0.463	S	S	.	.			trans	-72.9	108.5	177.3	0	0	0	0	0	111.9	V676 F678 T700	V676-A687 HydrophobicContact CB-CB 3.84Å; V676-A687 HydrophobicContact CG1-CB 3.76Å; V676-A687 PolarHBondContact O-N 3.48Å; F678-A687 HydrophobicContact CD2-CB 4Å; F678-A687 HydrophobicContact CE2-CB 3.83Å; A687-T700 HydrophobicContact CB-CG2 4.3Å
688	C	57.2	Low	64.8	Low	126 Å²	126	84.5 Å²	84.5	85%	0.851	48%	0.482	S	S	*	.			trans	-99	123.3	177.8	-73.4	0	0	0	0	111.8	P686	P686-C688 PolarHBondContact O-N 2.94Å
689	A	53.7	Low	64.3	Low	51 Å²	51	83.9 Å²	83.9	42%	0.421	49%	0.488	S	S	.	.			trans	-118.9	153	173.9	0	0	0	0	0	112.1	L697	A689-L697 HydrophobicContact CB-CD1 3.99Å; A689-L697 HydrophobicContact CB-CD2 3.66Å; A689-L697 HydrophobicContact CB-CG 3.54Å
690	L	50.6	Low	63.5	Low	146 Å²	146	84.8 Å²	84.8	76%	0.764	50%	0.497	S	S	*	.			trans	-75.6	134.2	173.4	-70.6	166.8	0	0	0	110.1	N692 N693	L690-N692 PolarHBondContact O-N 2.87Å; L690-N693 WeakPolarHBondContact O-CB 3.02Å; L690-N693 PolarHBondContact O-N 3.38Å
691	A	49.2	Very low	62.6	Low	106 Å²	106	77.7 Å²	77.7	88%	0.876	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-8.5	-166.9	0	0	0	0	0	117
692	N	49.5	Very low	61.6	Low	158 Å²	158	79.1 Å²	79.1	85%	0.845	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-1.2	175.8	-70.4	0.8	0	0	0	113.5	L690	L690-N692 PolarHBondContact O-N 2.87Å
693	N	52.3	Low	60.9	Low	77 Å²	77	83.3 Å²	83.3	41%	0.412	50%	0.498	S	S	.	.			trans	-112.7	61.8	-163.3	-132.8	65	0	0	0	112	L690 E695 T696 L697	L690-N693 WeakPolarHBondContact O-CB 3.02Å; L690-N693 PolarHBondContact O-N 3.38Å; N693-E695 VanDerWaalsContact C-N 3.29Å; N693-E695 PolarHBondContact O-N 3.42Å; N693-T696 WeakPolarHBondContact CB-OG1 3.26Å; N693-T696 VanDerWaalsContact ND2-CG2 3.32Å; N693-T696 WeakPolarHBondContact ND2-CG2 3.03Å; N693-T696 PolarHBondContact ND2-OG1 2.83Å; N693-T696 PolarHBondContact O-N 2.93Å; N693-T696 PolarHBondContact O-OG1 2.04Å; N693-L697 PolarHBondContact O-N 2.78Å
694	S	57.7	Low	60	Low	76 Å²	76	78.4 Å²	78.4	53%	0.531	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-33.8	-176.9	49.5	0	0	0	0	113.6	T696 L697 I698	S694-T696 PolarHBondContact O-N 2.79Å; S694-L697 PolarHBondContact O-N 2.95Å; S694-I698 WeakPolarHBondContact O-CG1 3.13Å; S694-I698 PolarHBondContact O-N 2.74Å
695	E	61.1	Low	59	Low	158 Å²	158	76.5 Å²	76.5	74%	0.738	46%	0.462	S	S	*	.	H	α-helix	trans	-60	-44.8	177.4	-65.4	178.7	156.5	0	0	111.8	N693 L697 I698 A699	N693-E695 VanDerWaalsContact C-N 3.29Å; N693-E695 PolarHBondContact O-N 3.42Å; E695-L697 PolarHBondContact O-N 2.69Å; E695-I698 PolarHBondContact O-N 2.86Å; E695-A699 WeakPolarHBondContact O-CB 3.16Å; E695-A699 PolarHBondContact O-N 2.91Å
696	T	56.9	Low	58.3	Low	62 Å²	62	77.4 Å²	77.4	38%	0.38	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-37.3	176.2	41.3	0	0	0	0	112.7	N693 S694 A699 T700	N693-T696 WeakPolarHBondContact CB-OG1 3.26Å; N693-T696 VanDerWaalsContact ND2-CG2 3.32Å; N693-T696 WeakPolarHBondContact ND2-CG2 3.03Å; N693-T696 PolarHBondContact ND2-OG1 2.83Å; N693-T696 PolarHBondContact O-N 2.93Å; N693-T696 PolarHBondContact O-OG1 2.04Å; S694-T696 PolarHBondContact O-N 2.79Å; T696-A699 PolarHBondContact O-N 2.76Å; T696-T700 VanDerWaalsContact O-CB 3.3Å; T696-T700 WeakPolarHBondContact O-CB 3.26Å; T696-T700 PolarHBondContact O-N 3.49Å; T696-T700 PolarHBondContact O-OG1 2.83Å
697	L	56.2	Low	57.4	Low	89 Å²	89	78.4 Å²	78.4	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.2	-83.8	163.9	0	0	0	111.8	A689 N693 S694 E695 T700 A701	A689-L697 HydrophobicContact CB-CD1 3.99Å; A689-L697 HydrophobicContact CB-CD2 3.66Å; A689-L697 HydrophobicContact CB-CG 3.54Å; N693-L697 PolarHBondContact O-N 2.78Å; S694-L697 PolarHBondContact O-N 2.95Å; E695-L697 PolarHBondContact O-N 2.69Å; L697-T700 PolarHBondContact O-N 2.04Å; L697-A701 WeakPolarHBondContact O-CB 3.25Å; L697-A701 PolarHBondContact O-N 3.07Å
698	I	61.9	Low	56.6	Low	92 Å²	92	77.2 Å²	77.2	47%	0.472	45%	0.453	S	S	.	.	H	α-helix	trans	-65.5	-45	177.6	-67.9	164.5	0	0	0	110.5	S694 E695 A701 Q702	S694-I698 WeakPolarHBondContact O-CG1 3.13Å; S694-I698 PolarHBondContact O-N 2.74Å; E695-I698 PolarHBondContact O-N 2.86Å; I698-A701 PolarHBondContact O-N 2.03Å; I698-Q702 HydrophobicContact CG2-CG 4.32Å; I698-Q702 WeakPolarHBondContact O-CB 3.17Å; I698-Q702 WeakPolarHBondContact O-CG 3.19Å; I698-Q702 PolarHBondContact O-N 2.92Å
699	A	61.9	Low	56.2	Low	53 Å²	53	78.2 Å²	78.2	44%	0.438	45%	0.45	S	S	.	.	H	α-helix	trans	-63.4	-43	177	0	0	0	0	0	112.3	E695 T696 Q702 H703	E695-A699 WeakPolarHBondContact O-CB 3.16Å; E695-A699 PolarHBondContact O-N 2.91Å; T696-A699 PolarHBondContact O-N 2.76Å; A699-Q702 PolarHBondContact O-N 3.12Å; A699-H703 WeakPolarHBondContact O-CB 3.48Å; A699-H703 PolarHBondContact O-N 2.8Å
700	T	61.9	Low	55.7	Low	46 Å²	46	78.6 Å²	78.6	28%	0.282	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-48.1	173.7	-65.6	0	0	0	0	111.3	V676 F678 A687 T696 L697 H703 V704	V676-T700 HydrophobicContact CG1-CG2 4.22Å; F678-T700 HydrophobicContact CE2-CG2 3.69Å; F678-T700 HydrophobicContact CZ-CG2 3.8Å; A687-T700 HydrophobicContact CB-CG2 4.3Å; T696-T700 VanDerWaalsContact O-CB 3.3Å; T696-T700 WeakPolarHBondContact O-CB 3.26Å; T696-T700 PolarHBondContact O-N 3.49Å; T696-T700 PolarHBondContact O-OG1 2.83Å; L697-T700 PolarHBondContact O-N 2.04Å; T700-H703 PolarHBondContact O-N 3.26Å; T700-V704 WeakPolarHBondContact O-CG2 3.49Å; T700-V704 PolarHBondContact O-N 2.03Å
701	A	61.1	Low	55.5	Low	24 Å²	24	78.3 Å²	78.3	20%	0.198	44%	0.435	C	S	.	.	H	α-helix	trans	-64.9	-39	177.8	0	0	0	0	0	112.6	L697 I698 V704 C705 V713	L697-A701 WeakPolarHBondContact O-CB 3.25Å; L697-A701 PolarHBondContact O-N 3.07Å; I698-A701 PolarHBondContact O-N 2.03Å; A701-V704 PolarHBondContact O-N 3.25Å; A701-C705 WeakPolarHBondContact O-CB 3.38Å; A701-C705 PolarHBondContact O-N 3.44Å; A701-C705 PolarHBondContact O-SG 2.95Å; A701-V713 HydrophobicContact CB-CG2 3.72Å
702	Q	62	Low	55.4	Low	100 Å²	100	76.6 Å²	76.6	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-42.3	174.6	-77	171	-20.6	0	0	112	I698 A699 C705 S706 V713	I698-Q702 HydrophobicContact CG2-CG 4.32Å; I698-Q702 WeakPolarHBondContact O-CB 3.17Å; I698-Q702 WeakPolarHBondContact O-CG 3.19Å; I698-Q702 PolarHBondContact O-N 2.92Å; A699-Q702 PolarHBondContact O-N 3.12Å; Q702-C705 WeakPolarHBondContact O-CB 3.48Å; Q702-C705 PolarHBondContact O-N 3.09Å; Q702-S706 PolarHBondContact O-N 2.99Å; Q702-S706 PolarHBondContact O-OG 2.89Å; Q702-V713 HydrophobicContact CB-CG2 4.35Å; Q702-V713 HydrophobicContact CG-CG2 3.69Å
703	H	62.4	Low	55.4	Low	91 Å²	91	71 Å²	71	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-49.7	175.2	-177.2	79.6	0	0	0	111.1	A699 T700 C705 S706 Q707	A699-H703 WeakPolarHBondContact O-CB 3.48Å; A699-H703 PolarHBondContact O-N 2.8Å; T700-H703 PolarHBondContact O-N 3.26Å; H703-C705 VanDerWaalsContact C-N 3.33Å; H703-C705 PolarHBondContact O-N 2.9Å; H703-S706 PolarHBondContact O-N 3.16Å; H703-S706 VanDerWaalsContact O-N 3.1Å; H703-S706 PolarHBondContact O-OG 3.48Å; H703-Q707 WeakPolarHBondContact O-CG 3.01Å; H703-Q707 PolarHBondContact O-N 2.58Å
704	V	60.3	Low	55	Low	1 Å²	1	69.9 Å²	69.9	1%	0.006	39%	0.387	C	S	.	.	H	α-helix	trans	-59.9	-41.2	177.4	178.3	0	0	0	0	111.8	A654 L656 V676 F678 T700 A701 Q707 N708	A654-V704 HydrophobicContact CB-CG2 4.01Å; L656-V704 HydrophobicContact CD1-CG1 4.46Å; L656-V704 HydrophobicContact CD2-CG1 4.35Å; L656-V704 HydrophobicContact CG-CG1 3.97Å; V676-V704 HydrophobicContact CB-CG2 4.4Å; V676-V704 HydrophobicContact CG1-CG2 3.48Å; V676-V704 VanDerWaalsContact CG1-CG2 3.48Å; V676-V704 HydrophobicContact CG2-CB 4.46Å; V676-V704 HydrophobicContact CG2-CG1 4.43Å; V676-V704 HydrophobicContact CG2-CG2 3.99Å; F678-V704 HydrophobicContact CE1-CG2 4.48Å; F678-V704 HydrophobicContact CZ-CG2 4.04Å; T700-V704 WeakPolarHBondContact O-CG2 3.49Å; T700-V704 PolarHBondContact O-N 2.03Å; A701-V704 PolarHBondContact O-N 3.25Å; V704-Q707 PolarHBondContact O-N 3.06Å; V704-N708 PolarHBondContact O-N 2.04Å; V704-N708 VanDerWaalsContact O-N 3.15Å; V704-N708 PolarHBondContact O-ND2 3.21Å
705	C	56.8	Low	54.2	Low	3 Å²	3	68.2 Å²	68.2	2%	0.02	38%	0.375	C	S	.	.	H	α-helix	trans	-57.6	-49.6	172.8	-70.8	0	0	0	0	111.4	A701 Q702 H703 Q707 N708 L709 Y710	A701-C705 WeakPolarHBondContact O-CB 3.38Å; A701-C705 PolarHBondContact O-N 3.44Å; A701-C705 PolarHBondContact O-SG 2.95Å; Q702-C705 WeakPolarHBondContact O-CB 3.48Å; Q702-C705 PolarHBondContact O-N 3.09Å; H703-C705 VanDerWaalsContact C-N 3.33Å; H703-C705 PolarHBondContact O-N 2.9Å; C705-Q707 VanDerWaalsContact C-N 3.34Å; C705-Q707 PolarHBondContact O-N 3.26Å; C705-N708 CarbonylContact O-C 3.41Å; C705-N708 VanDerWaalsContact O-C 3.27Å; C705-N708 PolarHBondContact O-N 3.19Å; C705-L709 PolarHBondContact O-N 3.17Å; C705-Y710 CarbonylContact C-O 3.57Å; C705-Y710 PolarHBondContact O-N 3.4Å
706	S	55.2	Low	53.1	Low	71 Å²	71	62.5 Å²	62.5	50%	0.497	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-33.9	-177.9	64.9	0	0	0	0	113.7	Q702 H703 N708 L709	Q702-S706 PolarHBondContact O-N 2.99Å; Q702-S706 PolarHBondContact O-OG 2.89Å; H703-S706 PolarHBondContact O-N 3.16Å; H703-S706 VanDerWaalsContact O-N 3.1Å; H703-S706 PolarHBondContact O-OG 3.48Å; S706-N708 VanDerWaalsContact C-N 3.27Å; S706-N708 PolarHBondContact O-N 3.23Å; S706-L709 PolarHBondContact O-N 3.25Å
707	Q	52.9	Low	52	Low	82 Å²	82	63.8 Å²	63.8	38%	0.383	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-23	173.1	-67.5	-66.1	-28.1	0	0	112.9	H703 V704 C705	H703-Q707 WeakPolarHBondContact O-CG 3.01Å; H703-Q707 PolarHBondContact O-N 2.58Å; V704-Q707 PolarHBondContact O-N 3.06Å; C705-Q707 VanDerWaalsContact C-N 3.34Å; C705-Q707 PolarHBondContact O-N 3.26Å
708	N	48	Very low	50.7	Low	9 Å²	9	66.8 Å²	66.8	5%	0.048	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	30.9	177.3	-67.7	-84.1	0	0	0	111.9	A654 F670 V704 C705 S706 Y710	A654-N708 PolarHBondContact O-ND2 3.41Å; F670-N708 HydrophobicContact CD1-CB 4.34Å; F670-N708 HydrophobicContact CE1-CB 4.28Å; V704-N708 PolarHBondContact O-N 2.04Å; V704-N708 VanDerWaalsContact O-N 3.15Å; V704-N708 PolarHBondContact O-ND2 3.21Å; C705-N708 CarbonylContact O-C 3.41Å; C705-N708 VanDerWaalsContact O-C 3.27Å; C705-N708 PolarHBondContact O-N 3.19Å; S706-N708 VanDerWaalsContact C-N 3.27Å; S706-N708 PolarHBondContact O-N 3.23Å; N708-Y710 HydrophobicContact CB-CD2 3.93Å; N708-Y710 HydrophobicContact CB-CE2 4.05Å; N708-Y710 WeakPolarHBondContact O-CD2 3.05Å; N708-Y710 WeakPolarHBondContact O-CE2 3.27Å; N708-Y710 PolarHBondContact O-N 3.29Å
709	L	48.1	Very low	49.1	Very low	148 Å²	148	68 Å²	68	78%	0.775	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	0.1	175.6	-55.1	173.1	0	0	0	116.8	F670 C705 S706	F670-L709 HydrophobicContact CZ-CD1 4.5Å; C705-L709 PolarHBondContact O-N 3.17Å; S706-L709 PolarHBondContact O-N 3.25Å
710	Y	44.9	Very low	47.5	Very low	59 Å²	59	70 Å²	70	23%	0.231	40%	0.402	C	S	.	.			trans	-77.3	128.4	177.4	-61.7	-74.2	0	0	0	111.7	C705 N708 T712	C705-Y710 CarbonylContact C-O 3.57Å; C705-Y710 PolarHBondContact O-N 3.4Å; N708-Y710 HydrophobicContact CB-CD2 3.93Å; N708-Y710 HydrophobicContact CB-CE2 4.05Å; N708-Y710 WeakPolarHBondContact O-CD2 3.05Å; N708-Y710 WeakPolarHBondContact O-CE2 3.27Å; N708-Y710 PolarHBondContact O-N 3.29Å; Y710-T712 VanDerWaalsContact C-N 3.33Å; Y710-T712 PolarHBondContact O-N 2.92Å
711	Q	45.2	Very low	45.8	Very low	140 Å²	140	79.1 Å²	79.1	65%	0.654	43%	0.432	S	S	*	.	S	Bend	trans	-65.8	-31	-172.1	-63.2	-167.6	3.2	0	0	114.4
712	T	46.8	Very low	44.2	Very low	69 Å²	69	85.2 Å²	85.2	42%	0.423	46%	0.461	S	S	.	.			trans	-156.9	166.2	175.8	63	0	0	0	0	111.2	Y710 A714 S715	Y710-T712 VanDerWaalsContact C-N 3.33Å; Y710-T712 PolarHBondContact O-N 2.92Å; T712-A714 PolarHBondContact O-N 3.28Å; T712-A714 WeakPolarHBondContact OG1-CB 3.2Å; T712-A714 PolarHBondContact OG1-N 2.86Å; T712-A714 VanDerWaalsContact OG1-N 3.16Å; T712-S715 PolarHBondContact N-OG 3.29Å; T712-S715 PolarHBondContact O-N 3.23Å; T712-S715 VanDerWaalsContact O-N 3.16Å; T712-S715 PolarHBondContact O-OG 2.86Å; T712-S715 PolarHBondContact OG1-N 2.83Å; T712-S715 PolarHBondContact OG1-OG 3.14Å
713	V	49.7	Very low	42.5	Very low	40 Å²	40	90.7 Å²	90.7	24%	0.242	48%	0.477	C	S	.	.	H	α-helix	trans	-60.2	-25.8	165.3	-178.1	0	0	0	0	111.9	A701 Q702 S715 I716	A701-V713 HydrophobicContact CB-CG2 3.72Å; Q702-V713 HydrophobicContact CB-CG2 4.35Å; Q702-V713 HydrophobicContact CG-CG2 3.69Å; V713-S715 VanDerWaalsContact C-N 3.32Å; V713-S715 PolarHBondContact O-N 3.41Å; V713-I716 WeakPolarHBondContact O-CB 3.23Å; V713-I716 PolarHBondContact O-N 2.89Å
714	A	45.1	Very low	40.8	Very low	55 Å²	55	92.2 Å²	92.2	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-72.4	-22.1	177.4	0	0	0	0	0	113.5	T712 I716 A717	T712-A714 PolarHBondContact O-N 3.28Å; T712-A714 WeakPolarHBondContact OG1-CB 3.2Å; T712-A714 PolarHBondContact OG1-N 2.86Å; T712-A714 VanDerWaalsContact OG1-N 3.16Å; A714-I716 VanDerWaalsContact C-N 3.29Å; A714-I716 PolarHBondContact O-N 2.75Å; A714-A717 PolarHBondContact O-N 2.78Å
715	S	40.6	Very low	39.3	Very low	41 Å²	41	101.1 Å²	101.1	29%	0.287	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-32.4	175.7	-1.9	0	0	0	0	112.5	T712 V713 A717 M718	T712-S715 PolarHBondContact N-OG 3.29Å; T712-S715 PolarHBondContact O-N 3.23Å; T712-S715 VanDerWaalsContact O-N 3.16Å; T712-S715 PolarHBondContact O-OG 2.86Å; T712-S715 PolarHBondContact OG1-N 2.83Å; T712-S715 PolarHBondContact OG1-OG 3.14Å; V713-S715 VanDerWaalsContact C-N 3.32Å; V713-S715 PolarHBondContact O-N 3.41Å; S715-A717 VanDerWaalsContact C-N 3.29Å; S715-A717 PolarHBondContact O-N 2.55Å; S715-M718 PolarHBondContact O-N 3.06Å
716	I	37.6	Very low	37.8	Very low	38 Å²	38	105.6 Å²	105.6	20%	0.195	57%	0.572	C	S	.	*	H	α-helix	trans	-58.6	-43.3	174.2	-65.1	163.5	0	0	0	110.2	D672 T673 V713 A714 M718	D672-I716 HydrophobicContact CB-CG1 4.4Å; D672-I716 HydrophobicContact CB-CG2 4.28Å; D672-I716 WeakPolarHBondContact O-CD1 3.45Å; D672-I716 VanDerWaalsContact O-CG1 3.27Å; D672-I716 WeakPolarHBondContact O-CG1 3.46Å; D672-I716 WeakPolarHBondContact O-CG2 3.15Å; T673-I716 HydrophobicContact CG2-CG2 3.78Å; V713-I716 WeakPolarHBondContact O-CB 3.23Å; V713-I716 PolarHBondContact O-N 2.89Å; A714-I716 VanDerWaalsContact C-N 3.29Å; A714-I716 PolarHBondContact O-N 2.75Å; I716-M718 PolarHBondContact O-N 3.42Å
717	A	32.8	Very low	36.4	Very low	89 Å²	89	110.6 Å²	110.6	74%	0.736	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	3.2	-173.7	0	0	0	0	0	115.2	A714 S715	A714-A717 PolarHBondContact O-N 2.78Å; S715-A717 VanDerWaalsContact C-N 3.29Å; S715-A717 PolarHBondContact O-N 2.55Å
718	M	29.8	Very low	35.1	Very low	152 Å²	152	115.8 Å²	115.8	75%	0.749	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	5.2	-171.6	-68.5	-161.4	177.2	0	0	115.8	S715 I716 A720	S715-M718 PolarHBondContact O-N 3.06Å; I716-M718 PolarHBondContact O-N 3.42Å; M718-A720 PolarHBondContact O-N 2.79Å
719	I	28.6	Very low	34.2	Very low	118 Å²	118	123 Å²	123	61%	0.605	64%	0.642	S	S	*	*			trans	-74.1	91.9	172.8	-57.5	-178.1	0	0	0	109.5	W721	I719-W721 PolarHBondContact O-N 3.35Å
720	A	27.5	Very low	33.2	Very low	93 Å²	93	120.9 Å²	120.9	77%	0.769	64%	0.637	S	S	*	*			trans	-69.9	101.9	-179.7	0	0	0	0	0	111.4	M718 N722	M718-A720 PolarHBondContact O-N 2.79Å; A720-N722 PolarHBondContact O-N 3.17Å
721	W	26.6	Very low	32.2	Very low	239 Å²	239	126.8 Å²	126.8	91%	0.905	67%	0.672	S	S	*	*			trans	-57.6	90.6	-176.1	-159.3	4.4	0	0	0	113.3	I719	I719-W721 PolarHBondContact O-N 3.35Å
722	N	27.2	Very low	31.4	Very low	151 Å²	151	124.9 Å²	124.9	81%	0.807	67%	0.674	S	S	*	*			trans	-77.6	131.5	174.9	-163.6	13.3	0	0	0	110.2	A720	A720-N722 PolarHBondContact O-N 3.17Å
723	R	26.9	Very low	30.6	Very low	216 Å²	216	129 Å²	129	82%	0.815	69%	0.694	S	S	*	*			trans	-102	110.9	-165.9	-63.6	-178.4	-176.9	-176	0.6	113.3
724	T	27.5	Very low	29.8	Very low	123 Å²	123	138.1 Å²	138.1	76%	0.755	73%	0.725	S	S	*	*			trans	-154.7	147.2	152.7	18.2	0	0	0	0	109.2
725	E	27.8	Very low	29.1	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	74%	0.739	S	S	*	*			trans	56.1	81.2	164	-64.6	169.5	-157.4	0	0	115.5
726	A	26	Very low	28.5	Very low	98 Å²	98	145 Å²	145	81%	0.81	77%	0.766	S	S	*	*			cis	88.3	104.7	48.9	0	0	0	0	0	115.7
727	M	24.8	Very low	28.1	Very low	176 Å²	176	147 Å²	147	87%	0.867	80%	0.795	S	S	*	*			trans	-167.1	127.8	134.8	-97.8	-166.4	-176.7	0	0	112.2
728	Y	26.4	Very low	27.9	Very low	191 Å²	191	151.4 Å²	151.4	75%	0.749	80%	0.8	S	S	*	*			trans	42.2	138.5	145.7	-67.1	-114.8	0	0	0	121.1
729	M	27.6	Very low	27.8	Very low	159 Å²	159	151.2 Å²	151.2	78%	0.783	81%	0.808	S	S	*	*			cis	-159.2	-179.9	-3.5	-117.2	-163.6	174.4	0	0	110.6
730	P	27.1	Very low	27.7	Very low	104 Å²	104	152.2 Å²	152.2	68%	0.675	81%	0.813	S	S	*	*			trans	-95.6	160.7	-142.8	38.1	-40.8	0	0	0	119.1	S732	P730-S732 PolarHBondContact O-N 2.99Å
731	L	25.6	Very low	27.7	Very low	183 Å²	183	152.9 Å²	152.9	96%	0.958	82%	0.819	S	S	*	*			trans	-63.8	113.2	165.5	-70.1	162.8	0	0	0	112.5
732	S	28.5	Very low	27.7	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	82%	0.816	S	S	*	*			trans	-152.4	57.5	167.1	71.6	0	0	0	0	114.4	P730	P730-S732 PolarHBondContact O-N 2.99Å
733	N	29.6	Very low	28	Very low	155 Å²	155	153.8 Å²	153.8	83%	0.829	83%	0.833	S	S	*	*			trans	-178	113.5	152.9	-94.2	-28.6	0	0	0	110.3
734	Y	33.3	Very low	28	Very low	232 Å²	232	150.7 Å²	150.7	91%	0.91	83%	0.834	S	S	*	*				179.1	143.5	116.9	-108.2	-79.7	0	0	0	110
735	T	28.7	Very low	28.1	Very low	122 Å²	122	152.1 Å²	152.1	75%	0.748	84%	0.839	S	S	*	*			trans	-111.4	127.4	-170.3	50	0	0	0	0	112.6
736	S	29.7	Very low	28.1	Very low	120 Å²	120	150.2 Å²	150.2	84%	0.839	84%	0.837	S	S	*	*			trans	47.9	120.5	152	63	0	0	0	0	119.4
737	G	28.3	Very low	28.2	Very low	78 Å²	78	153.2 Å²	153.2	80%	0.804	84%	0.838	S	S	*	*			trans	119.9	49.3	134.8	0	0	0	0	0	118.4
738	Q	29.4	Very low	28.4	Very low	182 Å²	182	151.8 Å²	151.8	85%	0.85	84%	0.836	S	S	*	*			trans	-146.2	119.9	150.6	-112.3	161.9	7.7	0	0	110.8	L740	Q738-L740 PolarHBondContact O-N 3.2Å
739	T	27.3	Very low	28.6	Very low	148 Å²	148	149.2 Å²	149.2	91%	0.908	84%	0.842	S	S	*	*			trans	-79.9	103.1	168.4	33.3	0	0	0	0	109.2
740	L	26.8	Very low	28.6	Very low	139 Å²	139	148.5 Å²	148.5	73%	0.728	85%	0.846	S	S	*	*			trans	-113.2	143.3	157.3	-75.4	166.3	0	0	0	107.5	Q738	Q738-L740 PolarHBondContact O-N 3.2Å
741	A	25.9	Very low	28.7	Very low	107 Å²	107	151.9 Å²	151.9	88%	0.884	86%	0.86	S	S	*	*			trans	-76.6	125	178	0	0	0	0	0	109
742	Y	26.2	Very low	29	Very low	216 Å²	216	149.3 Å²	149.3	85%	0.847	85%	0.851	S	S	*	*			trans	-85.2	141	169.9	-69.7	-104.4	0	0	0	109.1
743	V	34.3	Very low	29	Very low	193 Å²	193	153.8 Å²	153.8	100%	1.17	87%	0.865	S	S	*	*			trans	-105.4	0	143	178.5	0	0	0	0	105

Retrieved 743 of 743 residues in 585.1 ms (Link to these results)

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